Diff of the two buildlogs:
--
--- b1/build.log 2025-03-10 07:22:13.591314090 +0000
+++ b2/build.log 2025-03-10 16:44:19.504003457 +0000
@@ -1,6 +1,6 @@
I: pbuilder: network access will be disabled during build
-I: Current time: Sun Apr 12 01:05:05 -12 2026
-I: pbuilder-time-stamp: 1775999105
+I: Current time: Mon Mar 10 21:22:18 +14 2025
+I: pbuilder-time-stamp: 1741591338
I: Building the build Environment
I: extracting base tarball [/var/cache/pbuilder/trixie-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/2341410/tmp/hooks/D02_print_environment starting
+I: user script /srv/workspace/pbuilder/1726365/tmp/hooks/D01_modify_environment starting
+debug: Running on ionos1-amd64.
+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 10 07:22 /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/1726365/tmp/hooks/D01_modify_environment finished
+I: user script /srv/workspace/pbuilder/1726365/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='amd64'
- DEBIAN_FRONTEND='noninteractive'
- DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=42 '
- DISTRIBUTION='trixie'
- HOME='/root'
- HOST_ARCH='amd64'
+ 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]="x86_64-pc-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=amd64
+ DEBIAN_FRONTEND=noninteractive
+ DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=20 '
+ DIRSTACK=()
+ DISTRIBUTION=trixie
+ EUID=0
+ FUNCNAME=([0]="Echo" [1]="main")
+ GROUPS=()
+ HOME=/root
+ HOSTNAME=i-capture-the-hostname
+ HOSTTYPE=x86_64
+ HOST_ARCH=amd64
IFS='
'
- INVOCATION_ID='cb352a3b02e4438e95a6c204c7825bb5'
- 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='2341410'
- PS1='# '
- PS2='> '
+ INVOCATION_ID=b78964e94c4e4567ad71ce0778d72f09
+ LANG=C
+ LANGUAGE=et_EE:et
+ LC_ALL=C
+ MACHTYPE=x86_64-pc-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=1726365
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.a7mTLmk9/pbuilderrc_JlNO --distribution trixie --hookdir /etc/pbuilder/first-build-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/trixie-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.a7mTLmk9/b1 --logfile b1/build.log meep_1.29.0-1.dsc'
- SUDO_GID='111'
- SUDO_UID='106'
- SUDO_USER='jenkins'
- TERM='unknown'
- TZ='/usr/share/zoneinfo/Etc/GMT+12'
- USER='root'
- _='/usr/bin/systemd-run'
- http_proxy='http://213.165.73.152:3128'
+ 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.a7mTLmk9/pbuilderrc_Tsm0 --distribution trixie --hookdir /etc/pbuilder/rebuild-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/trixie-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.a7mTLmk9/b2 --logfile b2/build.log meep_1.29.0-1.dsc'
+ SUDO_GID=110
+ SUDO_UID=105
+ SUDO_USER=jenkins
+ TERM=unknown
+ TZ=/usr/share/zoneinfo/Etc/GMT-14
+ UID=0
+ USER=root
+ _='I: set'
+ http_proxy=http://46.16.76.132:3128
I: uname -a
- Linux ionos15-amd64 6.12.12+bpo-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.12.12-1~bpo12+1 (2025-02-23) x86_64 GNU/Linux
+ Linux i-capture-the-hostname 6.1.0-31-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.1.128-1 (2025-02-07) x86_64 GNU/Linux
I: ls -l /bin
- lrwxrwxrwx 1 root root 7 Mar 4 2025 /bin -> usr/bin
-I: user script /srv/workspace/pbuilder/2341410/tmp/hooks/D02_print_environment finished
+ lrwxrwxrwx 1 root root 7 Nov 22 14:40 /bin -> usr/bin
+I: user script /srv/workspace/pbuilder/1726365/tmp/hooks/D02_print_environment finished
-> Attempting to satisfy build-dependencies
-> Creating pbuilder-satisfydepends-dummy package
Package: pbuilder-satisfydepends-dummy
@@ -436,7 +468,7 @@
Get: 282 http://deb.debian.org/debian trixie/main amd64 python3-matplotlib amd64 3.8.3-7+b1 [23.0 MB]
Get: 283 http://deb.debian.org/debian trixie/main amd64 quilt all 0.68-1 [437 kB]
Get: 284 http://deb.debian.org/debian trixie/main amd64 swig amd64 4.3.0-1 [1503 kB]
-Fetched 241 MB in 4s (62.2 MB/s)
+Fetched 241 MB in 15s (15.9 MB/s)
Preconfiguring packages ...
Selecting previously unselected package libpython3.13-minimal:amd64.
(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 ... 19800 files and directories currently installed.)
@@ -1353,8 +1385,8 @@
Setting up tzdata (2025a-2) ...
Current default time zone: 'Etc/UTC'
-Local time is now: Sun Apr 12 13:06:33 UTC 2026.
-Universal Time is now: Sun Apr 12 13:06:33 UTC 2026.
+Local time is now: Mon Mar 10 07:27:48 UTC 2025.
+Universal Time is now: Mon Mar 10 07:27:48 UTC 2025.
Run 'dpkg-reconfigure tzdata' if you wish to change it.
Setting up unicode-data (15.1.0-1) ...
@@ -1613,7 +1645,11 @@
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_1.29.0-1_source.changes
+I: user script /srv/workspace/pbuilder/1726365/tmp/hooks/A99_set_merged_usr starting
+Not re-configuring usrmerge for trixie
+I: user script /srv/workspace/pbuilder/1726365/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_1.29.0-1_source.changes
dpkg-buildpackage: info: source package meep
dpkg-buildpackage: info: source version 1.29.0-1
dpkg-buildpackage: info: source distribution unstable
@@ -1883,7 +1919,7 @@
config.status: executing libtool commands
make[1]: Leaving directory '/build/reproducible-path/meep-1.29.0'
dh_auto_build
- make -j42
+ make -j20
make[1]: Entering directory '/build/reproducible-path/meep-1.29.0'
make all-recursive
make[2]: Entering directory '/build/reproducible-path/meep-1.29.0'
@@ -1893,7 +1929,7 @@
(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'
x86_64-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 -fcf-protection -Wall -W -c -o sphere-quad.o sphere-quad.cpp
-/bin/bash ../libtool --tag=CXX --mode=link x86_64-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 -fcf-protection -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-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/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath
+/bin/sh ../libtool --tag=CXX --mode=link x86_64-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 -fcf-protection -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-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/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath
libtool: link: x86_64-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 -fcf-protection -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-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/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath
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
@@ -1901,111 +1937,401 @@
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 x86_64-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 -fcf-protection -c -o mt19937ar.lo mt19937ar.c
+/bin/sh ../../libtool --tag=CC --mode=compile x86_64-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 -fcf-protection -c -o mt19937ar.lo mt19937ar.c
libtool: compile: x86_64-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 -fcf-protection -c mt19937ar.c -fPIC -DPIC -o .libs/mt19937ar.o
libtool: compile: x86_64-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 -fcf-protection -c mt19937ar.c -fPIC -DPIC -o mt19937ar.o >/dev/null 2>&1
-/bin/bash ../../libtool --tag=CC --mode=link x86_64-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 -fcf-protection -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-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/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath
+/bin/sh ../../libtool --tag=CC --mode=link x86_64-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 -fcf-protection -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-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/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath
libtool: link: x86_64-linux-gnu-ar cr .libs/libsupport.a .libs/mt19937ar.o
libtool: link: x86_64-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 x86_64-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 -fcf-protection -Wall -W -c -o array_slice.lo array_slice.cpp
-/bin/bash ../libtool --tag=CXX --mode=compile x86_64-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 -fcf-protection -Wall -W -c -o anisotropic_averaging.lo anisotropic_averaging.cpp
-/bin/bash ../libtool --tag=CXX --mode=compile x86_64-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 -fcf-protection -Wall -W -c -o bands.lo bands.cpp
-/bin/bash ../libtool --tag=CXX --mode=compile x86_64-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 -fcf-protection -Wall -W -c -o boundaries.lo boundaries.cpp
-/bin/bash ../libtool --tag=CXX --mode=compile x86_64-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 -fcf-protection -Wall -W -c -o bicgstab.lo bicgstab.cpp
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+/bin/sh ../libtool --tag=CXX --mode=compile x86_64-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 -fcf-protection -Wall -W -c -o material_data.lo material_data.cpp
+libtool: compile: x86_64-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 -fcf-protection -Wall -W -c dft_ldos.cpp -fPIC -DPIC -o .libs/dft_ldos.o
+libtool: compile: x86_64-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 -fcf-protection -Wall -W -c bands.cpp -fPIC -DPIC -o .libs/bands.o
libtool: compile: x86_64-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 -fcf-protection -Wall -W -c array_slice.cpp -fPIC -DPIC -o .libs/array_slice.o
-libtool: compile: x86_64-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 -fcf-protection -Wall -W -c energy_and_flux.cpp -fPIC -DPIC -o .libs/energy_and_flux.o
-libtool: compile: x86_64-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 -fcf-protection -Wall -W -c anisotropic_averaging.cpp -fPIC -DPIC -o .libs/anisotropic_averaging.o
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-libtool: compile: x86_64-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 -fcf-protection -Wall -W -c fields_dump.cpp -fPIC -DPIC -o .libs/fields_dump.o
-libtool: compile: x86_64-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 -fcf-protection -Wall -W -c h5fields.cpp -fPIC -DPIC -o .libs/h5fields.o
-libtool: compile: x86_64-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 -fcf-protection -Wall -W -c integrate.cpp -fPIC -DPIC -o .libs/integrate.o
-libtool: compile: x86_64-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 -fcf-protection -Wall -W -c integrate2.cpp -fPIC -DPIC -o .libs/integrate2.o
+libtool: compile: x86_64-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 -fcf-protection -Wall -W -c cw_fields.cpp -fPIC -DPIC -o .libs/cw_fields.o
+libtool: compile: x86_64-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 -fcf-protection -Wall -W -c casimir.cpp -fPIC -DPIC -o .libs/casimir.o
libtool: compile: x86_64-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 -fcf-protection -Wall -W -c dft.cpp -fPIC -DPIC -o .libs/dft.o
+libtool: compile: x86_64-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 -fcf-protection -Wall -W -c fields_dump.cpp -fPIC -DPIC -o .libs/fields_dump.o
libtool: compile: x86_64-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 -fcf-protection -Wall -W -c bicgstab.cpp -fPIC -DPIC -o .libs/bicgstab.o
+libtool: compile: x86_64-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 -fcf-protection -Wall -W -c energy_and_flux.cpp -fPIC -DPIC -o .libs/energy_and_flux.o
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+libtool: compile: x86_64-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 -fcf-protection -Wall -W -c fields.cpp -fPIC -DPIC -o .libs/fields.o
libtool: compile: x86_64-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 -fcf-protection -Wall -W -c fix_boundary_sources.cpp -fPIC -DPIC -o .libs/fix_boundary_sources.o
-libtool: compile: x86_64-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 -fcf-protection -Wall -W -c h5file.cpp -fPIC -DPIC -o .libs/h5file.o
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-libtool: compile: x86_64-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 -fcf-protection -Wall -W -c fields.cpp -fPIC -DPIC -o .libs/fields.o
+libtool: compile: x86_64-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 -fcf-protection -Wall -W -c anisotropic_averaging.cpp -fPIC -DPIC -o .libs/anisotropic_averaging.o
+libtool: compile: x86_64-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 -fcf-protection -Wall -W -c h5file.cpp -fPIC -DPIC -o .libs/h5file.o
+libtool: compile: x86_64-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 -fcf-protection -Wall -W -c h5fields.cpp -fPIC -DPIC -o .libs/h5fields.o
+libtool: compile: x86_64-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 -fcf-protection -Wall -W -c integrate2.cpp -fPIC -DPIC -o .libs/integrate2.o
+libtool: compile: x86_64-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 -fcf-protection -Wall -W -c initialize.cpp -fPIC -DPIC -o .libs/initialize.o
+libtool: compile: x86_64-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 -fcf-protection -Wall -W -c integrate.cpp -fPIC -DPIC -o .libs/integrate.o
libtool: compile: x86_64-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 -fcf-protection -Wall -W -c material_data.cpp -fPIC -DPIC -o .libs/material_data.o
-libtool: compile: x86_64-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 -fcf-protection -Wall -W -c cw_fields.cpp -fPIC -DPIC -o .libs/cw_fields.o
-libtool: compile: x86_64-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 -fcf-protection -Wall -W -c bands.cpp -fPIC -DPIC -o .libs/bands.o
+dft.cpp:274: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
+ 274 | PLOOP_OVER_IVECS(fc->gv, is, ie, idx) {
+libtool: compile: x86_64-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 -fcf-protection -Wall -W -c bands.cpp -fPIC -DPIC -o bands.o >/dev/null 2>&1
+In file included from fields.cpp:25:
+meep.hpp: In constructor 'meep::fields::fields(meep::structure*, double, double, bool, int, int, std::vector<double>)':
+meep.hpp:2255:16: warning: 'meep::fields::working_on' will be initialized after [-Wreorder]
+ 2255 | timing_scope working_on;
+ | ^~~~~~~~~~
+meep.hpp:1744:23: warning: 'std::vector<double> meep::fields::bfast_scaled_k' [-Wreorder]
+ 1744 | std::vector<double> bfast_scaled_k;
+ | ^~~~~~~~~~~~~~
+fields.cpp:32:1: warning: when initialized here [-Wreorder]
+ 32 | fields::fields(structure *s, double m, double beta, bool zero_fields_near_cylorigin,
+ | ^~~~~~
+meep.hpp: In constructor 'meep::fields_chunk::fields_chunk(meep::structure_chunk*, const char*, double, double, bool, int, int, std::vector<double>)':
+meep.hpp:1506:10: warning: 'meep::fields_chunk::beta' will be initialized after [-Wreorder]
+ 1506 | double beta;
+ | ^~~~
+meep.hpp:1505:23: warning: 'std::vector<double> meep::fields_chunk::bfast_scaled_k' [-Wreorder]
+ 1505 | std::vector<double> bfast_scaled_k;
+ | ^~~~~~~~~~~~~~
+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,
+ | ^~~~~~~~~~~~
+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) {
+ | ^~~~~~
+boundaries.cpp:128:5: note: here
+ 128 | case D3:
+ | ^~~~
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+/bin/sh ../libtool --tag=CXX --mode=compile x86_64-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 -fcf-protection -Wall -W -c -o monitor.lo monitor.cpp
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libtool: compile: x86_64-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 -fcf-protection -Wall -W -c monitor.cpp -fPIC -DPIC -o .libs/monitor.o
-libtool: compile: x86_64-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 -fcf-protection -Wall -W -c dft_ldos.cpp -fPIC -DPIC -o .libs/dft_ldos.o
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+/bin/sh ../libtool --tag=CXX --mode=compile x86_64-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 -fcf-protection -Wall -W -c -o mympi.lo mympi.cpp
+/bin/sh ../libtool --tag=CXX --mode=compile x86_64-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 -fcf-protection -Wall -W -c -o multilevel-atom.lo multilevel-atom.cpp
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-libtool: compile: x86_64-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 -fcf-protection -Wall -W -c update_eh.cpp -fPIC -DPIC -o .libs/update_eh.o
-libtool: compile: x86_64-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 -fcf-protection -Wall -W -c step_db.cpp -fPIC -DPIC -o .libs/step_db.o
-libtool: compile: x86_64-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 -fcf-protection -Wall -W -c stress.cpp -fPIC -DPIC -o .libs/stress.o
-libtool: compile: x86_64-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 -fcf-protection -Wall -W -c sources.cpp -fPIC -DPIC -o .libs/sources.o
+/bin/sh ../libtool --tag=CXX --mode=compile x86_64-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 -fcf-protection -Wall -W -c -o near2far.lo near2far.cpp
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+/bin/sh ../libtool --tag=CXX --mode=compile x86_64-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 -fcf-protection -Wall -W -c -o output_directory.lo output_directory.cpp
+/bin/sh ../libtool --tag=CXX --mode=compile x86_64-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 -fcf-protection -Wall -W -c -o random.lo random.cpp
+/bin/sh ../libtool --tag=CXX --mode=compile x86_64-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 -fcf-protection -Wall -W -c -o sources.lo sources.cpp
+/bin/sh ../libtool --tag=CXX --mode=compile x86_64-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 -fcf-protection -Wall -W -c -o step.lo step.cpp
+/bin/sh ../libtool --tag=CXX --mode=compile x86_64-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 -fcf-protection -Wall -W -c -o step_db.lo step_db.cpp
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-libtool: compile: x86_64-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 -fcf-protection -Wall -W -c susceptibility.cpp -fPIC -DPIC -o .libs/susceptibility.o
-libtool: compile: x86_64-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 -fcf-protection -Wall -W -c multilevel-atom.cpp -fPIC -DPIC -o .libs/multilevel-atom.o
libtool: compile: x86_64-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 -fcf-protection -Wall -W -c random.cpp -fPIC -DPIC -o .libs/random.o
-libtool: compile: x86_64-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 -fcf-protection -Wall -W -c vec.cpp -fPIC -DPIC -o .libs/vec.o
-libtool: compile: x86_64-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 -fcf-protection -Wall -W -c structure.cpp -fPIC -DPIC -o .libs/structure.o
-libtool: compile: x86_64-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 -fcf-protection -Wall -W -c update_pols.cpp -fPIC -DPIC -o .libs/update_pols.o
+/bin/sh ../libtool --tag=CXX --mode=compile x86_64-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 -fcf-protection -Wall -W -c -o stress.lo stress.cpp
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-libtool: compile: x86_64-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 -fcf-protection -Wall -W -c GDSIIgeom.cpp -fPIC -DPIC -o .libs/GDSIIgeom.o
+libtool: compile: x86_64-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 -fcf-protection -Wall -W -c sources.cpp -fPIC -DPIC -o .libs/sources.o
+libtool: compile: x86_64-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 -fcf-protection -Wall -W -c fields.cpp -fPIC -DPIC -o fields.o >/dev/null 2>&1
+libtool: compile: x86_64-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 -fcf-protection -Wall -W -c step_db.cpp -fPIC -DPIC -o .libs/step_db.o
+libtool: compile: x86_64-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 -fcf-protection -Wall -W -c stress.cpp -fPIC -DPIC -o .libs/stress.o
+step.cpp:144: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
+ 144 | CHUNK_OPENMP
+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];
+ | ^~
+monitor.cpp:274:15: note: 'comp_list' declared here
+ 274 | component comp_list[3];
+ | ^~~~~~~~~
+/bin/sh ../libtool --tag=CXX --mode=compile x86_64-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 -fcf-protection -Wall -W -c -o structure.lo structure.cpp
+/bin/sh ../libtool --tag=CXX --mode=compile x86_64-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 -fcf-protection -Wall -W -c -o structure_dump.lo structure_dump.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];
+ | ^~
+libtool: compile: x86_64-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 -fcf-protection -Wall -W -c structure.cpp -fPIC -DPIC -o .libs/structure.o
+mympi.cpp: In function 'void meep::abort(const char*, ...)':
+mympi.cpp:248:12: warning: ignoring return value of 'int vasprintf(char**, const char*, __va_list_tag*)' declared with attribute 'warn_unused_result' [-Wunused-result]
+ 248 | vasprintf(&s, fmt, ap);
+ | ~~~~~~~~~^~~~~~~~~~~~~
+mympi.cpp: In function 'void meep::_do_master_printf(FILE*, meep_printf_callback_func, const char*, __va_list_tag*)':
+mympi.cpp:692:16: warning: ignoring return value of 'int vasprintf(char**, const char*, __va_list_tag*)' declared with attribute 'warn_unused_result' [-Wunused-result]
+ 692 | vasprintf(&s, fmt, ap);
+ | ~~~~~~~~~^~~~~~~~~~~~~
libtool: compile: x86_64-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 -fcf-protection -Wall -W -c structure_dump.cpp -fPIC -DPIC -o .libs/structure_dump.o
-libtool: compile: x86_64-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 -fcf-protection -Wall -W -c step_generic.cpp -fPIC -DPIC -o .libs/step_generic.o
-libtool: compile: x86_64-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 -fcf-protection -Wall -W -c meepgeom.cpp -fPIC -DPIC -o .libs/meepgeom.o
-libtool: compile: x86_64-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 -fcf-protection -Wall -W -c mpb.cpp -fPIC -DPIC -o .libs/mpb.o
-libtool: compile: x86_64-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 -fcf-protection -Wall -W -c time.cpp -fPIC -DPIC -o .libs/time.o
-libtool: compile: x86_64-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 -fcf-protection -Wall -W -c step_generic_stride1.cpp -fPIC -DPIC -o .libs/step_generic_stride1.o
-dft.cpp:274: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
- 274 | PLOOP_OVER_IVECS(fc->gv, is, ie, idx) {
+libtool: compile: x86_64-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 -fcf-protection -Wall -W -c random.cpp -fPIC -DPIC -o random.o >/dev/null 2>&1
+/bin/sh ../libtool --tag=CXX --mode=compile x86_64-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 -fcf-protection -Wall -W -c -o susceptibility.lo susceptibility.cpp
+libtool: compile: x86_64-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 -fcf-protection -Wall -W -c anisotropic_averaging.cpp -fPIC -DPIC -o anisotropic_averaging.o >/dev/null 2>&1
+libtool: compile: x86_64-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 -fcf-protection -Wall -W -c mympi.cpp -fPIC -DPIC -o mympi.o >/dev/null 2>&1
+libtool: compile: x86_64-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 -fcf-protection -Wall -W -c susceptibility.cpp -fPIC -DPIC -o .libs/susceptibility.o
+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);
+ | ^~~~
+In file included from /usr/include/stdio.h:970,
+ from output_directory.cpp:18:
+In function 'int snprintf(char*, size_t, const char*, ...)',
+ inlined from 'const char* meep::make_output_directory(const char*, const char*)' at output_directory.cpp:115:11:
+/usr/include/x86_64-linux-gnu/bits/stdio2.h:68:35: note: '__builtin___snprintf_chk' output between 5 and 304 bytes into a destination of size 300
+ 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
+ | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+ 69 | __glibc_objsize (__s), __fmt,
+ | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+ 70 | __va_arg_pack ());
+ | ~~~~~~~~~~~~~~~~~
+output_directory.cpp: In function 'const char* meep::make_output_directory(const char*, const char*)':
+output_directory.cpp:124:36: warning: '%s' directive output may be truncated writing up to 299 bytes into a region of size between 0 and 299 [-Wformat-truncation=]
+ 124 | snprintf(outsrcname, buflen, "%s/%s", outdirname, sourcename);
+ | ^~ ~~~~~~~~~~
+In function 'int snprintf(char*, size_t, const char*, ...)',
+ inlined from 'const char* meep::make_output_directory(const char*, const char*)' at output_directory.cpp:124:11:
+/usr/include/x86_64-linux-gnu/bits/stdio2.h:68:35: note: '__builtin___snprintf_chk' output between 2 and 600 bytes into a destination of size 300
+ 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
+ | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+ 69 | __glibc_objsize (__s), __fmt,
+ | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+ 70 | __va_arg_pack ());
+ | ~~~~~~~~~~~~~~~~~
+output_directory.cpp: In function 'const char* meep::make_output_directory(const char*, const char*)':
+output_directory.cpp:120:39: warning: '-out-' directive output may be truncated writing 5 bytes into a region of size between 1 and 300 [-Wformat-truncation=]
+ 120 | snprintf(outdirname, buflen, "%s-out-%d", basename, i++);
+ | ^~~~~
+output_directory.cpp:120:36: note: directive argument in the range [0, 2147483647]
+ 120 | snprintf(outdirname, buflen, "%s-out-%d", basename, i++);
+ | ^~~~~~~~~~~
+In function 'int snprintf(char*, size_t, const char*, ...)',
+ inlined from 'const char* meep::make_output_directory(const char*, const char*)' at output_directory.cpp:120:15:
+/usr/include/x86_64-linux-gnu/bits/stdio2.h:68:35: note: '__builtin___snprintf_chk' output between 7 and 315 bytes into a destination of size 300
+ 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
+ | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+ 69 | __glibc_objsize (__s), __fmt,
+ | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+ 70 | __va_arg_pack ());
+ | ~~~~~~~~~~~~~~~~~
+libtool: compile: x86_64-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 -fcf-protection -Wall -W -c monitor.cpp -fPIC -DPIC -o monitor.o >/dev/null 2>&1
+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);
+ | ^~
+step_db.cpp:192:19: warning: unused variable 'dku' [-Wunused-variable]
+ 192 | const int dku = gv.iyee_shift(cc).in_direction(dsigu);
+ | ^~~
+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]
+ 81 | std::vector<std::complex<double> > amp; // amplitudes
+ | ^~~
+meep_internals.hpp:77:8: warning: 'bool meep::src_vol::needs_boundary_fix' [-Wreorder]
+ 77 | bool needs_boundary_fix; // whether fix_boundary_sources needs calling
+ | ^~~~~~~~~~~~~~~~~~
+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: x86_64-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 -fcf-protection -Wall -W -c output_directory.cpp -fPIC -DPIC -o output_directory.o >/dev/null 2>&1
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) {
-step.cpp:144: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
- 144 | CHUNK_OPENMP
+libtool: compile: x86_64-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 -fcf-protection -Wall -W -c step.cpp -fPIC -DPIC -o step.o >/dev/null 2>&1
+libtool: compile: x86_64-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 -fcf-protection -Wall -W -c stress.cpp -fPIC -DPIC -o stress.o >/dev/null 2>&1
+libtool: compile: x86_64-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 -fcf-protection -Wall -W -c multilevel-atom.cpp -fPIC -DPIC -o multilevel-atom.o >/dev/null 2>&1
+libtool: compile: x86_64-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 -fcf-protection -Wall -W -c dft.cpp -fPIC -DPIC -o dft.o >/dev/null 2>&1
+libtool: compile: x86_64-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 -fcf-protection -Wall -W -c boundaries.cpp -fPIC -DPIC -o boundaries.o >/dev/null 2>&1
+/bin/sh ../libtool --tag=CXX --mode=compile x86_64-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 -fcf-protection -Wall -W -c -o time.lo time.cpp
+/bin/sh ../libtool --tag=CXX --mode=compile x86_64-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 -fcf-protection -Wall -W -c -o update_eh.lo update_eh.cpp
+libtool: compile: x86_64-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 -fcf-protection -Wall -W -c time.cpp -fPIC -DPIC -o .libs/time.o
+libtool: compile: x86_64-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 -fcf-protection -Wall -W -c update_eh.cpp -fPIC -DPIC -o .libs/update_eh.o
+/bin/sh ../libtool --tag=CXX --mode=compile x86_64-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 -fcf-protection -Wall -W -c -o mpb.lo mpb.cpp
+libtool: compile: x86_64-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 -fcf-protection -Wall -W -c mpb.cpp -fPIC -DPIC -o .libs/mpb.o
+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);
+ | ^
+structure_dump.cpp:296:31: note: using the range [-2147483648, 2147483647] for directive argument
+ 296 | snprintf(dname, 20, "%c_%d_sigma_%d_%d", ft == 0 ? 'E' : 'H', i, c, d);
+ | ^~~~~~~~~~~~~~~~~~~
+In file included from /usr/include/stdio.h:970,
+ from structure_dump.cpp:22:
+In function 'int snprintf(char*, size_t, const char*, ...)',
+ inlined from 'void meep::structure::dump(const char*, bool)' at structure_dump.cpp:296:19:
+/usr/include/x86_64-linux-gnu/bits/stdio2.h:68:35: note: '__builtin___snprintf_chk' output between 14 and 43 bytes into a destination of size 20
+ 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
+ | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+ 69 | __glibc_objsize (__s), __fmt,
+ | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+ 70 | __va_arg_pack ());
+ | ~~~~~~~~~~~~~~~~~
+/bin/sh ../libtool --tag=CXX --mode=compile x86_64-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 -fcf-protection -Wall -W -c -o update_pols.lo update_pols.cpp
+/bin/sh ../libtool --tag=CXX --mode=compile x86_64-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 -fcf-protection -Wall -W -c -o vec.lo vec.cpp
+structure_dump.cpp: In member function 'void meep::structure::load(const char*, bool)':
+structure_dump.cpp:748:44: warning: '%d' directive output may be truncated writing between 1 and 2 bytes into a region of size between 1 and 10 [-Wformat-truncation=]
+ 748 | snprintf(dname, 20, "%c_%d_sigma_%d_%d", ft == 0 ? 'E' : 'H', i, c, d);
+ | ^~
+structure_dump.cpp:748:31: note: directive argument in the range [0, 19]
+ 748 | snprintf(dname, 20, "%c_%d_sigma_%d_%d", ft == 0 ? 'E' : 'H', i, c, d);
+ | ^~~~~~~~~~~~~~~~~~~
+structure_dump.cpp:748:31: note: directive argument in the range [0, 4]
+In function 'int snprintf(char*, size_t, const char*, ...)',
+ inlined from 'void meep::structure::load(const char*, bool)' at structure_dump.cpp:748:19:
+/usr/include/x86_64-linux-gnu/bits/stdio2.h:68:35: note: '__builtin___snprintf_chk' output between 14 and 24 bytes into a destination of size 20
+ 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
+ | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+ 69 | __glibc_objsize (__s), __fmt,
+ | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+ 70 | __va_arg_pack ());
+ | ~~~~~~~~~~~~~~~~~
+/bin/sh ../libtool --tag=CXX --mode=compile x86_64-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 -fcf-protection -Wall -W -c -o step_generic.lo step_generic.cpp
+libtool: compile: x86_64-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 -fcf-protection -Wall -W -c update_pols.cpp -fPIC -DPIC -o .libs/update_pols.o
+libtool: compile: x86_64-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 -fcf-protection -Wall -W -c vec.cpp -fPIC -DPIC -o .libs/vec.o
+libtool: compile: x86_64-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 -fcf-protection -Wall -W -c step_generic.cpp -fPIC -DPIC -o .libs/step_generic.o
+/bin/sh ../libtool --tag=CXX --mode=compile x86_64-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 -fcf-protection -Wall -W -c -o meepgeom.lo meepgeom.cpp
+libtool: compile: x86_64-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 -fcf-protection -Wall -W -c meepgeom.cpp -fPIC -DPIC -o .libs/meepgeom.o
+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]
+ 96 | PLOOP_OVER_IVECS(gv, is, ie, i) {
+step_generic.cpp:103: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
+ 103 | PLOOP_OVER_IVECS(gv, is, ie, i) {
+step_generic.cpp:108: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
+ 108 | PLOOP_OVER_IVECS(gv, is, ie, i) { f[i] -= dtdx * (g1[i + s1] - g1[i]); }
+step_generic.cpp:117: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
+ 117 | PLOOP_OVER_IVECS(gv, is, ie, i) {
+step_generic.cpp:127: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
+ 127 | PLOOP_OVER_IVECS(gv, is, ie, i) {
+step_generic.cpp:137: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
+ 137 | PLOOP_OVER_IVECS(gv, is, ie, i) {
+step_generic.cpp:145: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
+ 145 | PLOOP_OVER_IVECS(gv, is, ie, i) {
+step_generic.cpp:161: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
+ 161 | PLOOP_OVER_IVECS(gv, is, ie, i) {
+step_generic.cpp:171: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
+ 171 | PLOOP_OVER_IVECS(gv, is, ie, i) {
+step_generic.cpp:181: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
+ 181 | PLOOP_OVER_IVECS(gv, is, ie, i) {
+step_generic.cpp:188: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
+ 188 | PLOOP_OVER_IVECS(gv, is, ie, i) {
+step_generic.cpp:201: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
+ 201 | PLOOP_OVER_IVECS(gv, is, ie, i) {
+step_generic.cpp:215: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
+ 215 | PLOOP_OVER_IVECS(gv, is, ie, i) {
+step_generic.cpp:228: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
+ 228 | PLOOP_OVER_IVECS(gv, is, ie, i) {
+step_generic.cpp:238: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
+ 238 | PLOOP_OVER_IVECS(gv, is, ie, i) {
+step_generic.cpp:266: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
+ 266 | PLOOP_OVER_IVECS(gv, is, ie, i) {
+step_generic.cpp:278: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
+ 278 | PLOOP_OVER_IVECS(gv, is, ie, i) {
+step_generic.cpp:289: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
+ 289 | PLOOP_OVER_IVECS(gv, is, ie, i) {
+step_generic.cpp:297: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
+ 297 | PLOOP_OVER_IVECS(gv, is, ie, i) {
+step_generic.cpp:308: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
+ 308 | PLOOP_OVER_IVECS(gv, is, ie, i) {
+step_generic.cpp:316: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
+ 316 | PLOOP_OVER_IVECS(gv, is, ie, i) {
+step_generic.cpp:326: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
+ 326 | PLOOP_OVER_IVECS(gv, is, ie, i) { f[i] += betadt * g[i] * cndinv[i]; }
+step_generic.cpp:329: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
+ 329 | PLOOP_OVER_IVECS(gv, is, ie, i) { f[i] += betadt * g[i]; }
+step_generic.cpp:351: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
+ 351 | PLOOP_OVER_IVECS(gv, is, ie, i) {
+step_generic.cpp:358: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
+ 358 | PLOOP_OVER_IVECS(gv, is, ie, i) {
+step_generic.cpp:367: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
+ 367 | PLOOP_OVER_IVECS(gv, is, ie, i) {
+step_generic.cpp:374: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
+ 374 | PLOOP_OVER_IVECS(gv, is, ie, i) {
+step_generic.cpp:386: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
+ 386 | PLOOP_OVER_IVECS(gv, is, ie, i) {
+step_generic.cpp:396: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
+ 396 | PLOOP_OVER_IVECS(gv, is, ie, i) {
+step_generic.cpp:408: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
+ 408 | PLOOP_OVER_IVECS(gv, is, ie, i) {
+step_generic.cpp:418: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
+ 418 | PLOOP_OVER_IVECS(gv, is, ie, i) {
+step_generic.cpp:436: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
+ 436 | PLOOP_OVER_IVECS(gv, is, ie, i) {
+step_generic.cpp:446: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
+ 446 | PLOOP_OVER_IVECS(gv, is, ie, i) {
+step_generic.cpp:458: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
+ 458 | PLOOP_OVER_IVECS(gv, is, ie, i) {
+step_generic.cpp:466: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
+ 466 | PLOOP_OVER_IVECS(gv, is, ie, i) {
+step_generic.cpp:480: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
+ 480 | PLOOP_OVER_IVECS(gv, is, ie, i) {
+step_generic.cpp:494: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
+ 494 | PLOOP_OVER_IVECS(gv, is, ie, i) {
+step_generic.cpp:509: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
+ 509 | PLOOP_OVER_IVECS(gv, is, ie, i) {
+step_generic.cpp:520: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
+ 520 | PLOOP_OVER_IVECS(gv, is, ie, i) {
+step_generic.cpp:591: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
+ 591 | PLOOP_OVER_IVECS(gv, is, ie, i) {
+step_generic.cpp:606: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
+ 606 | PLOOP_OVER_IVECS(gv, is, ie, i) {
+step_generic.cpp:618: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
+ 618 | PLOOP_OVER_IVECS(gv, is, ie, i) {
+step_generic.cpp:630: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
+ 630 | PLOOP_OVER_IVECS(gv, is, ie, i) {
+step_generic.cpp:646: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
+ 646 | PLOOP_OVER_IVECS(gv, is, ie, i) {
+step_generic.cpp:659: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
+ 659 | PLOOP_OVER_IVECS(gv, is, ie, i) {
+step_generic.cpp:672: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
+ 672 | PLOOP_OVER_IVECS(gv, is, ie, i) {
+step_generic.cpp:683: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
+ 683 | PLOOP_OVER_IVECS(gv, is, ie, i) {
+step_generic.cpp:693: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
+ 693 | PLOOP_OVER_IVECS(gv, is, ie, i) {
+step_generic.cpp:705: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
+ 705 | PLOOP_OVER_IVECS(gv, is, ie, i) {
+step_generic.cpp:716: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
+ 716 | PLOOP_OVER_IVECS(gv, is, ie, i) {
+step_generic.cpp:725: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
+ 725 | PLOOP_OVER_IVECS(gv, is, ie, i) {
+step_generic.cpp:734: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
+ 734 | PLOOP_OVER_IVECS(gv, is, ie, i) {
+step_generic.cpp:747: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
+ 747 | PLOOP_OVER_IVECS(gv, is, ie, i) {
+step_generic.cpp:757: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
+ 757 | PLOOP_OVER_IVECS(gv, is, ie, i) {
+step_generic.cpp:767: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
+ 767 | PLOOP_OVER_IVECS(gv, is, ie, i) {
+step_generic.cpp:775: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
+ 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 x86_64-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 -fcf-protection -Wall -W -c -o GDSIIgeom.lo GDSIIgeom.cpp
meepgeom.cpp:2959: warning: ignoring '#pragma unroll ' [-Wunknown-pragmas]
2959 | #pragma unroll
+/bin/sh ../libtool --tag=CXX --mode=compile x86_64-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 -fcf-protection -Wall -W -c -o step_generic_stride1.lo step_generic_stride1.cpp
+libtool: compile: x86_64-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 -fcf-protection -Wall -W -c structure_dump.cpp -fPIC -DPIC -o structure_dump.o >/dev/null 2>&1
+libtool: compile: x86_64-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 -fcf-protection -Wall -W -c near2far.cpp -fPIC -DPIC -o near2far.o >/dev/null 2>&1
+libtool: compile: x86_64-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 -fcf-protection -Wall -W -c sources.cpp -fPIC -DPIC -o sources.o >/dev/null 2>&1
+libtool: compile: x86_64-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 -fcf-protection -Wall -W -c GDSIIgeom.cpp -fPIC -DPIC -o .libs/GDSIIgeom.o
+libtool: compile: x86_64-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 -fcf-protection -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) {
step_generic_stride1.cpp:92: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
@@ -2180,163 +2506,32 @@
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: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]
- 96 | PLOOP_OVER_IVECS(gv, is, ie, i) {
-step_generic.cpp:103: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
- 103 | PLOOP_OVER_IVECS(gv, is, ie, i) {
-step_generic.cpp:108: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
- 108 | PLOOP_OVER_IVECS(gv, is, ie, i) { f[i] -= dtdx * (g1[i + s1] - g1[i]); }
-step_generic.cpp:117: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
- 117 | PLOOP_OVER_IVECS(gv, is, ie, i) {
-step_generic.cpp:127: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
- 127 | PLOOP_OVER_IVECS(gv, is, ie, i) {
-step_generic.cpp:137: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
- 137 | PLOOP_OVER_IVECS(gv, is, ie, i) {
-step_generic.cpp:145: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
- 145 | PLOOP_OVER_IVECS(gv, is, ie, i) {
-step_generic.cpp:161: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
- 161 | PLOOP_OVER_IVECS(gv, is, ie, i) {
-step_generic.cpp:171: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
- 171 | PLOOP_OVER_IVECS(gv, is, ie, i) {
-step_generic.cpp:181: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
- 181 | PLOOP_OVER_IVECS(gv, is, ie, i) {
-step_generic.cpp:188: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
- 188 | PLOOP_OVER_IVECS(gv, is, ie, i) {
-step_generic.cpp:201: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
- 201 | PLOOP_OVER_IVECS(gv, is, ie, i) {
-step_generic.cpp:215: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
- 215 | PLOOP_OVER_IVECS(gv, is, ie, i) {
-step_generic.cpp:228: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
- 228 | PLOOP_OVER_IVECS(gv, is, ie, i) {
-step_generic.cpp:238: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
- 238 | PLOOP_OVER_IVECS(gv, is, ie, i) {
-step_generic.cpp:266: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
- 266 | PLOOP_OVER_IVECS(gv, is, ie, i) {
-step_generic.cpp:278: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
- 278 | PLOOP_OVER_IVECS(gv, is, ie, i) {
-step_generic.cpp:289: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
- 289 | PLOOP_OVER_IVECS(gv, is, ie, i) {
-step_generic.cpp:297: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
- 297 | PLOOP_OVER_IVECS(gv, is, ie, i) {
-step_generic.cpp:308: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
- 308 | PLOOP_OVER_IVECS(gv, is, ie, i) {
-step_generic.cpp:316: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
- 316 | PLOOP_OVER_IVECS(gv, is, ie, i) {
-step_generic.cpp:326: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
- 326 | PLOOP_OVER_IVECS(gv, is, ie, i) { f[i] += betadt * g[i] * cndinv[i]; }
-step_generic.cpp:329: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
- 329 | PLOOP_OVER_IVECS(gv, is, ie, i) { f[i] += betadt * g[i]; }
-step_generic.cpp:351: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
- 351 | PLOOP_OVER_IVECS(gv, is, ie, i) {
-step_generic.cpp:358: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
- 358 | PLOOP_OVER_IVECS(gv, is, ie, i) {
-step_generic.cpp:367: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
- 367 | PLOOP_OVER_IVECS(gv, is, ie, i) {
-step_generic.cpp:374: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
- 374 | PLOOP_OVER_IVECS(gv, is, ie, i) {
-step_generic.cpp:386: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
- 386 | PLOOP_OVER_IVECS(gv, is, ie, i) {
-step_generic.cpp:396: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
- 396 | PLOOP_OVER_IVECS(gv, is, ie, i) {
-step_generic.cpp:408: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
- 408 | PLOOP_OVER_IVECS(gv, is, ie, i) {
-step_generic.cpp:418: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
- 418 | PLOOP_OVER_IVECS(gv, is, ie, i) {
-step_generic.cpp:436: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
- 436 | PLOOP_OVER_IVECS(gv, is, ie, i) {
-step_generic.cpp:446: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
- 446 | PLOOP_OVER_IVECS(gv, is, ie, i) {
-step_generic.cpp:458: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
- 458 | PLOOP_OVER_IVECS(gv, is, ie, i) {
-step_generic.cpp:466: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
- 466 | PLOOP_OVER_IVECS(gv, is, ie, i) {
-step_generic.cpp:480: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
- 480 | PLOOP_OVER_IVECS(gv, is, ie, i) {
-step_generic.cpp:494: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
- 494 | PLOOP_OVER_IVECS(gv, is, ie, i) {
-step_generic.cpp:509: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
- 509 | PLOOP_OVER_IVECS(gv, is, ie, i) {
-step_generic.cpp:520: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
- 520 | PLOOP_OVER_IVECS(gv, is, ie, i) {
-step_generic.cpp:591: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
- 591 | PLOOP_OVER_IVECS(gv, is, ie, i) {
-step_generic.cpp:606: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
- 606 | PLOOP_OVER_IVECS(gv, is, ie, i) {
-step_generic.cpp:618: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
- 618 | PLOOP_OVER_IVECS(gv, is, ie, i) {
-step_generic.cpp:630: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
- 630 | PLOOP_OVER_IVECS(gv, is, ie, i) {
-step_generic.cpp:646: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
- 646 | PLOOP_OVER_IVECS(gv, is, ie, i) {
-step_generic.cpp:659: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
- 659 | PLOOP_OVER_IVECS(gv, is, ie, i) {
-step_generic.cpp:672: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
- 672 | PLOOP_OVER_IVECS(gv, is, ie, i) {
-step_generic.cpp:683: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
- 683 | PLOOP_OVER_IVECS(gv, is, ie, i) {
-step_generic.cpp:693: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
- 693 | PLOOP_OVER_IVECS(gv, is, ie, i) {
-step_generic.cpp:705: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
- 705 | PLOOP_OVER_IVECS(gv, is, ie, i) {
-step_generic.cpp:716: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
- 716 | PLOOP_OVER_IVECS(gv, is, ie, i) {
-step_generic.cpp:725: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
- 725 | PLOOP_OVER_IVECS(gv, is, ie, i) {
-step_generic.cpp:734: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
- 734 | PLOOP_OVER_IVECS(gv, is, ie, i) {
-step_generic.cpp:747: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
- 747 | PLOOP_OVER_IVECS(gv, is, ie, i) {
-step_generic.cpp:757: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
- 757 | PLOOP_OVER_IVECS(gv, is, ie, i) {
-step_generic.cpp:767: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
- 767 | PLOOP_OVER_IVECS(gv, is, ie, i) {
-step_generic.cpp:775: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
- 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]; }
-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]
- 81 | std::vector<std::complex<double> > amp; // amplitudes
- | ^~~
-meep_internals.hpp:77:8: warning: 'bool meep::src_vol::needs_boundary_fix' [-Wreorder]
- 77 | bool needs_boundary_fix; // whether fix_boundary_sources needs calling
- | ^~~~~~~~~~~~~~~~~~
-sources.cpp:168:1: warning: when initialized here [-Wreorder]
- 168 | src_vol::src_vol(component cc, src_time *st, std::vector<ptrdiff_t> &&ind,
- | ^~~~~~~
-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);
- | ^~
-step_db.cpp:192:19: warning: unused variable 'dku' [-Wunused-variable]
- 192 | const int dku = gv.iyee_shift(cc).in_direction(dsigu);
- | ^~~
-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;
+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;
| ^~~
-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) {
- | ^~~~~~~~~~~~
-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,
+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_stride1.cpp:340:27: warning: unused parameter 'sig' [-Wunused-parameter]
- 340 | const RPR sig, const RPR kap, const RPR siginv, RPR fu, direction dsigu,
+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_stride1.cpp:340:42: warning: unused parameter 'kap' [-Wunused-parameter]
- 340 | 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_stride1.cpp:341:27: warning: unused parameter 'sigu' [-Wunused-parameter]
- 341 | const RPR sigu, const RPR kapu, const RPR siginvu, realnum dt, const RPR cnd,
+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_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,
+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: x86_64-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 -fcf-protection -Wall -W -c update_eh.cpp -fPIC -DPIC -o update_eh.o >/dev/null 2>&1
+libtool: compile: x86_64-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 -fcf-protection -Wall -W -c update_pols.cpp -fPIC -DPIC -o update_pols.o >/dev/null 2>&1
+libtool: compile: x86_64-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 -fcf-protection -Wall -W -c susceptibility.cpp -fPIC -DPIC -o susceptibility.o >/dev/null 2>&1
+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) {
+ | ^~~~~~~~~~~~
meepgeom.cpp: In function 'std::complex<double> meep_geom::get_material_gradient(const meep::vec&, meep::component, meep::component, std::complex<double>, double, geom_epsilon*, meep::grid_volume&, double, double*, int)':
meepgeom.cpp:2685:46: warning: unused variable 'dA_du' [-Wunused-variable]
2685 | std::complex<double> row_1[3], row_2[3], dA_du[3];
@@ -2389,188 +2584,34 @@
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: x86_64-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 -fcf-protection -Wall -W -c random.cpp -fPIC -DPIC -o random.o >/dev/null 2>&1
-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);
- | ^~~~
-In file included from /usr/include/stdio.h:970,
- from output_directory.cpp:18:
-In function 'int snprintf(char*, size_t, const char*, ...)',
- inlined from 'const char* meep::make_output_directory(const char*, const char*)' at output_directory.cpp:115:11:
-/usr/include/x86_64-linux-gnu/bits/stdio2.h:68:35: note: '__builtin___snprintf_chk' output between 5 and 304 bytes into a destination of size 300
- 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
- | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
- 69 | __glibc_objsize (__s), __fmt,
- | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
- 70 | __va_arg_pack ());
- | ~~~~~~~~~~~~~~~~~
-output_directory.cpp: In function 'const char* meep::make_output_directory(const char*, const char*)':
-output_directory.cpp:124:36: warning: '%s' directive output may be truncated writing up to 299 bytes into a region of size between 0 and 299 [-Wformat-truncation=]
- 124 | snprintf(outsrcname, buflen, "%s/%s", outdirname, sourcename);
- | ^~ ~~~~~~~~~~
-In function 'int snprintf(char*, size_t, const char*, ...)',
- inlined from 'const char* meep::make_output_directory(const char*, const char*)' at output_directory.cpp:124:11:
-/usr/include/x86_64-linux-gnu/bits/stdio2.h:68:35: note: '__builtin___snprintf_chk' output between 2 and 600 bytes into a destination of size 300
- 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
- | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
- 69 | __glibc_objsize (__s), __fmt,
- | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
- 70 | __va_arg_pack ());
- | ~~~~~~~~~~~~~~~~~
-output_directory.cpp: In function 'const char* meep::make_output_directory(const char*, const char*)':
-output_directory.cpp:120:39: warning: '-out-' directive output may be truncated writing 5 bytes into a region of size between 1 and 300 [-Wformat-truncation=]
- 120 | snprintf(outdirname, buflen, "%s-out-%d", basename, i++);
- | ^~~~~
-output_directory.cpp:120:36: note: directive argument in the range [0, 2147483647]
- 120 | snprintf(outdirname, buflen, "%s-out-%d", basename, i++);
- | ^~~~~~~~~~~
-In function 'int snprintf(char*, size_t, const char*, ...)',
- inlined from 'const char* meep::make_output_directory(const char*, const char*)' at output_directory.cpp:120:15:
-/usr/include/x86_64-linux-gnu/bits/stdio2.h:68:35: note: '__builtin___snprintf_chk' output between 7 and 315 bytes into a destination of size 300
- 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
- | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
- 69 | __glibc_objsize (__s), __fmt,
- | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
- 70 | __va_arg_pack ());
- | ~~~~~~~~~~~~~~~~~
-libtool: compile: x86_64-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 -fcf-protection -Wall -W -c update_pols.cpp -fPIC -DPIC -o update_pols.o >/dev/null 2>&1
-libtool: compile: x86_64-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 -fcf-protection -Wall -W -c output_directory.cpp -fPIC -DPIC -o output_directory.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 | }
- | ^
-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];
- | ^~
-monitor.cpp:274:15: note: 'comp_list' declared here
- 274 | component comp_list[3];
- | ^~~~~~~~~
-libtool: compile: x86_64-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 -fcf-protection -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) {
- | ^~~~~~
-boundaries.cpp:128:5: note: here
- 128 | case D3:
- | ^~~~
-In file included from fields.cpp:25:
-meep.hpp: In constructor 'meep::fields::fields(meep::structure*, double, double, bool, int, int, std::vector<double>)':
-meep.hpp:2255:16: warning: 'meep::fields::working_on' will be initialized after [-Wreorder]
- 2255 | timing_scope working_on;
- | ^~~~~~~~~~
-meep.hpp:1744:23: warning: 'std::vector<double> meep::fields::bfast_scaled_k' [-Wreorder]
- 1744 | std::vector<double> bfast_scaled_k;
- | ^~~~~~~~~~~~~~
-fields.cpp:32:1: warning: when initialized here [-Wreorder]
- 32 | fields::fields(structure *s, double m, double beta, bool zero_fields_near_cylorigin,
- | ^~~~~~
-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_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;
| ^~~
-meep.hpp: In constructor 'meep::fields_chunk::fields_chunk(meep::structure_chunk*, const char*, double, double, bool, int, int, std::vector<double>)':
-meep.hpp:1506:10: warning: 'meep::fields_chunk::beta' will be initialized after [-Wreorder]
- 1506 | double beta;
- | ^~~~
-meep.hpp:1505:23: warning: 'std::vector<double> meep::fields_chunk::bfast_scaled_k' [-Wreorder]
- 1505 | std::vector<double> bfast_scaled_k;
- | ^~~~~~~~~~~~~~
-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,
- | ^~~~~~~~~~~~
-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_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,
| ~~~~~~~~^~~~
-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_stride1.cpp:340:27: warning: unused parameter 'sig' [-Wunused-parameter]
+ 340 | 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_stride1.cpp:340:42: warning: unused parameter 'kap' [-Wunused-parameter]
+ 340 | 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_stride1.cpp:341:27: warning: unused parameter 'sigu' [-Wunused-parameter]
+ 341 | 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,
+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: x86_64-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 -fcf-protection -Wall -W -c bicgstab.cpp -fPIC -DPIC -o bicgstab.o >/dev/null 2>&1
-libtool: compile: x86_64-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 -fcf-protection -Wall -W -c energy_and_flux.cpp -fPIC -DPIC -o energy_and_flux.o >/dev/null 2>&1
-libtool: compile: x86_64-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 -fcf-protection -Wall -W -c material_data.cpp -fPIC -DPIC -o material_data.o >/dev/null 2>&1
-libtool: compile: x86_64-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 -fcf-protection -Wall -W -c stress.cpp -fPIC -DPIC -o stress.o >/dev/null 2>&1
-libtool: compile: x86_64-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 -fcf-protection -Wall -W -c h5file.cpp -fPIC -DPIC -o h5file.o >/dev/null 2>&1
-libtool: compile: x86_64-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 -fcf-protection -Wall -W -c GDSIIgeom.cpp -fPIC -DPIC -o GDSIIgeom.o >/dev/null 2>&1
-libtool: compile: x86_64-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 -fcf-protection -Wall -W -c integrate.cpp -fPIC -DPIC -o integrate.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);
- | ^
-structure_dump.cpp:296:31: note: using the range [-2147483648, 2147483647] for directive argument
- 296 | snprintf(dname, 20, "%c_%d_sigma_%d_%d", ft == 0 ? 'E' : 'H', i, c, d);
- | ^~~~~~~~~~~~~~~~~~~
-In file included from /usr/include/stdio.h:970,
- from structure_dump.cpp:22:
-In function 'int snprintf(char*, size_t, const char*, ...)',
- inlined from 'void meep::structure::dump(const char*, bool)' at structure_dump.cpp:296:19:
-/usr/include/x86_64-linux-gnu/bits/stdio2.h:68:35: note: '__builtin___snprintf_chk' output between 14 and 43 bytes into a destination of size 20
- 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
- | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
- 69 | __glibc_objsize (__s), __fmt,
- | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
- 70 | __va_arg_pack ());
- | ~~~~~~~~~~~~~~~~~
-libtool: compile: x86_64-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 -fcf-protection -Wall -W -c casimir.cpp -fPIC -DPIC -o casimir.o >/dev/null 2>&1
-libtool: compile: x86_64-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 -fcf-protection -Wall -W -c dft_ldos.cpp -fPIC -DPIC -o dft_ldos.o >/dev/null 2>&1
-libtool: compile: x86_64-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 -fcf-protection -Wall -W -c initialize.cpp -fPIC -DPIC -o initialize.o >/dev/null 2>&1
-libtool: compile: x86_64-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 -fcf-protection -Wall -W -c monitor.cpp -fPIC -DPIC -o monitor.o >/dev/null 2>&1
-libtool: compile: x86_64-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 -fcf-protection -Wall -W -c update_eh.cpp -fPIC -DPIC -o update_eh.o >/dev/null 2>&1
-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];
- | ^~
-libtool: compile: x86_64-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 -fcf-protection -Wall -W -c multilevel-atom.cpp -fPIC -DPIC -o multilevel-atom.o >/dev/null 2>&1
-libtool: compile: x86_64-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 -fcf-protection -Wall -W -c fields_dump.cpp -fPIC -DPIC -o fields_dump.o >/dev/null 2>&1
-libtool: compile: x86_64-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 -fcf-protection -Wall -W -c fix_boundary_sources.cpp -fPIC -DPIC -o fix_boundary_sources.o >/dev/null 2>&1
-libtool: compile: x86_64-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 -fcf-protection -Wall -W -c step.cpp -fPIC -DPIC -o step.o >/dev/null 2>&1
-libtool: compile: x86_64-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 -fcf-protection -Wall -W -c integrate2.cpp -fPIC -DPIC -o integrate2.o >/dev/null 2>&1
-mympi.cpp: In function 'void meep::abort(const char*, ...)':
-mympi.cpp:248:12: warning: ignoring return value of 'int vasprintf(char**, const char*, __va_list_tag*)' declared with attribute 'warn_unused_result' [-Wunused-result]
- 248 | vasprintf(&s, fmt, ap);
- | ~~~~~~~~~^~~~~~~~~~~~~
-mympi.cpp: In function 'void meep::_do_master_printf(FILE*, meep_printf_callback_func, const char*, __va_list_tag*)':
-mympi.cpp:692:16: warning: ignoring return value of 'int vasprintf(char**, const char*, __va_list_tag*)' declared with attribute 'warn_unused_result' [-Wunused-result]
- 692 | vasprintf(&s, fmt, ap);
- | ~~~~~~~~~^~~~~~~~~~~~~
-libtool: compile: x86_64-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 -fcf-protection -Wall -W -c h5fields.cpp -fPIC -DPIC -o h5fields.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: x86_64-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 -fcf-protection -Wall -W -c step_db.cpp -fPIC -DPIC -o step_db.o >/dev/null 2>&1
libtool: compile: x86_64-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 -fcf-protection -Wall -W -c time.cpp -fPIC -DPIC -o time.o >/dev/null 2>&1
-structure_dump.cpp: In member function 'void meep::structure::load(const char*, bool)':
-structure_dump.cpp:748:44: warning: '%d' directive output may be truncated writing between 1 and 2 bytes into a region of size between 1 and 10 [-Wformat-truncation=]
- 748 | snprintf(dname, 20, "%c_%d_sigma_%d_%d", ft == 0 ? 'E' : 'H', i, c, d);
- | ^~
-structure_dump.cpp:748:31: note: directive argument in the range [0, 19]
- 748 | snprintf(dname, 20, "%c_%d_sigma_%d_%d", ft == 0 ? 'E' : 'H', i, c, d);
- | ^~~~~~~~~~~~~~~~~~~
-structure_dump.cpp:748:31: note: directive argument in the range [0, 4]
-In function 'int snprintf(char*, size_t, const char*, ...)',
- inlined from 'void meep::structure::load(const char*, bool)' at structure_dump.cpp:748:19:
-/usr/include/x86_64-linux-gnu/bits/stdio2.h:68:35: note: '__builtin___snprintf_chk' output between 14 and 24 bytes into a destination of size 20
- 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
- | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
- 69 | __glibc_objsize (__s), __fmt,
- | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
- 70 | __va_arg_pack ());
- | ~~~~~~~~~~~~~~~~~
-libtool: compile: x86_64-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 -fcf-protection -Wall -W -c mympi.cpp -fPIC -DPIC -o mympi.o >/dev/null 2>&1
libtool: compile: x86_64-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 -fcf-protection -Wall -W -c mpb.cpp -fPIC -DPIC -o mpb.o >/dev/null 2>&1
-libtool: compile: x86_64-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 -fcf-protection -Wall -W -c structure_dump.cpp -fPIC -DPIC -o structure_dump.o >/dev/null 2>&1
-libtool: compile: x86_64-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 -fcf-protection -Wall -W -c loop_in_chunks.cpp -fPIC -DPIC -o loop_in_chunks.o >/dev/null 2>&1
-libtool: compile: x86_64-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 -fcf-protection -Wall -W -c sources.cpp -fPIC -DPIC -o sources.o >/dev/null 2>&1
-libtool: compile: x86_64-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 -fcf-protection -Wall -W -c susceptibility.cpp -fPIC -DPIC -o susceptibility.o >/dev/null 2>&1
-libtool: compile: x86_64-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 -fcf-protection -Wall -W -c array_slice.cpp -fPIC -DPIC -o array_slice.o >/dev/null 2>&1
-libtool: compile: x86_64-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 -fcf-protection -Wall -W -c cw_fields.cpp -fPIC -DPIC -o cw_fields.o >/dev/null 2>&1
-libtool: compile: x86_64-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 -fcf-protection -Wall -W -c near2far.cpp -fPIC -DPIC -o near2far.o >/dev/null 2>&1
-libtool: compile: x86_64-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 -fcf-protection -Wall -W -c fields.cpp -fPIC -DPIC -o fields.o >/dev/null 2>&1
+libtool: compile: x86_64-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 -fcf-protection -Wall -W -c GDSIIgeom.cpp -fPIC -DPIC -o GDSIIgeom.o >/dev/null 2>&1
+libtool: compile: x86_64-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 -fcf-protection -Wall -W -c vec.cpp -fPIC -DPIC -o vec.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,
@@ -2580,16 +2621,11 @@
meepgeom.cpp:2760:7: note: 'kind' was declared here
2760 | int kind;
| ^~~~
-libtool: compile: x86_64-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 -fcf-protection -Wall -W -c step_db.cpp -fPIC -DPIC -o step_db.o >/dev/null 2>&1
-libtool: compile: x86_64-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 -fcf-protection -Wall -W -c dft.cpp -fPIC -DPIC -o dft.o >/dev/null 2>&1
-libtool: compile: x86_64-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 -fcf-protection -Wall -W -c vec.cpp -fPIC -DPIC -o vec.o >/dev/null 2>&1
-libtool: compile: x86_64-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 -fcf-protection -Wall -W -c anisotropic_averaging.cpp -fPIC -DPIC -o anisotropic_averaging.o >/dev/null 2>&1
-libtool: compile: x86_64-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 -fcf-protection -Wall -W -c boundaries.cpp -fPIC -DPIC -o boundaries.o >/dev/null 2>&1
-libtool: compile: x86_64-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 -fcf-protection -Wall -W -c meepgeom.cpp -fPIC -DPIC -o meepgeom.o >/dev/null 2>&1
libtool: compile: x86_64-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 -fcf-protection -Wall -W -c structure.cpp -fPIC -DPIC -o structure.o >/dev/null 2>&1
+libtool: compile: x86_64-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 -fcf-protection -Wall -W -c meepgeom.cpp -fPIC -DPIC -o meepgeom.o >/dev/null 2>&1
libtool: compile: x86_64-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 -fcf-protection -Wall -W -c step_generic_stride1.cpp -fPIC -DPIC -o step_generic_stride1.o >/dev/null 2>&1
libtool: compile: x86_64-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 -fcf-protection -Wall -W -c step_generic.cpp -fPIC -DPIC -o step_generic.o >/dev/null 2>&1
-/bin/bash ../libtool --tag=CXX --mode=link x86_64-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 -fcf-protection -Wall -W -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o libmeep.la -rpath /usr/lib/x86_64-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/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath
+/bin/sh ../libtool --tag=CXX --mode=link x86_64-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 -fcf-protection -Wall -W -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o libmeep.la -rpath /usr/lib/x86_64-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/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath
libtool: link: x86_64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crti.o /usr/lib/gcc/x86_64-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/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -lfftw3 -lgfortran -lquadmath -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/x86_64-linux-gnu/14/crtendS.o /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-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")
@@ -2708,13 +2744,13 @@
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 x86_64-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 -fcf-protection -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-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/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath
+/bin/sh ../libtool --tag=CXX --mode=link x86_64-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 -fcf-protection -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-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/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath
libtool: link: x86_64-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 -fcf-protection -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-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/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath
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 x86_64-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 -fcf-protection -Wall -W -c -o libpympb_la-pympb.lo `test -f 'pympb.cpp' || echo './'`pympb.cpp
+/bin/sh ../libtool --tag=CXX --mode=compile x86_64-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 -fcf-protection -Wall -W -c -o libpympb_la-pympb.lo `test -f 'pympb.cpp' || echo './'`pympb.cpp
libtool: compile: x86_64-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 -fcf-protection -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) \
@@ -2739,7 +2775,7 @@
2028 | mpi_allreduce(sq_sum2, sq_sum, 2, mpb_real, SCALAR_MPI_TYPE, MPI_SUM, mpb_comm);
| ^~~~~~~~~~~~~
libtool: compile: x86_64-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 -fcf-protection -Wall -W -c pympb.cpp -fPIC -DPIC -o libpympb_la-pympb.o >/dev/null 2>&1
-/bin/bash ../libtool --tag=CXX --mode=link x86_64-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 -fcf-protection -Wall -W -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o libpympb.la -rpath /usr/lib/x86_64-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/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath
+/bin/sh ../libtool --tag=CXX --mode=link x86_64-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 -fcf-protection -Wall -W -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o libpympb.la -rpath /usr/lib/x86_64-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/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath
libtool: link: x86_64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crti.o /usr/lib/gcc/x86_64-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/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lquadmath -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/x86_64-linux-gnu/14/crtendS.o /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-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")
@@ -2765,10 +2801,10 @@
fi
make all-am
make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/python'
-/bin/bash ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/x86_64-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 -fcf-protection -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 x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/x86_64-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 -fcf-protection -Wall -W -c -o _mpb_la-mpb-python.lo `test -f 'mpb-python.cxx' || echo './'`mpb-python.cxx
-libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/x86_64-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 -fcf-protection -Wall -W -c mpb-python.cxx -fPIC -DPIC -o .libs/_mpb_la-mpb-python.o
+/bin/sh ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/x86_64-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 -fcf-protection -Wall -W -c -o _meep_la-meep-python.lo `test -f 'meep-python.cxx' || echo './'`meep-python.cxx
+/bin/sh ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/x86_64-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 -fcf-protection -Wall -W -c -o _mpb_la-mpb-python.lo `test -f 'mpb-python.cxx' || echo './'`mpb-python.cxx
libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/x86_64-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 -fcf-protection -Wall -W -c meep-python.cxx -fPIC -DPIC -o .libs/_meep_la-meep-python.o
+libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/x86_64-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 -fcf-protection -Wall -W -c mpb-python.cxx -fPIC -DPIC -o .libs/_mpb_la-mpb-python.o
In file included from mpb-python.cxx:3409:
typemap_utils.cpp:115:18: warning: 'PyObject* py_volume_object()' defined but not used [-Wunused-function]
115 | static PyObject *py_volume_object() {
@@ -2836,13 +2872,13 @@
meep-python.cxx:126313:53: warning: unused parameter 'self' [-Wunused-parameter]
126313 | SWIGINTERN PyObject *_wrap_master_fprintf(PyObject *self, PyObject *args) {
| ~~~~~~~~~~^~~~
+libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/x86_64-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 -fcf-protection -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() {
| ^~~~~~~~~~~~~~~~
-libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/x86_64-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 -fcf-protection -Wall -W -c mpb-python.cxx -fPIC -DPIC -o _mpb_la-mpb-python.o >/dev/null 2>&1
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+/bin/sh ../libtool --tag=CXX --mode=link x86_64-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 -fcf-protection -Wall -W -module -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-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/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath
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libtool: link: (cd ".libs" && rm -f "_mpb.so.33" && ln -s "_mpb.so.33.0.0" "_mpb.so.33")
libtool: link: (cd ".libs" && rm -f "_mpb.so" && ln -s "_mpb.so.33.0.0" "_mpb.so")
@@ -2850,7 +2886,7 @@
libtool: link: x86_64-linux-gnu-ranlib .libs/_mpb.a
libtool: link: ( cd ".libs" && rm -f "_mpb.la" && ln -s "../_mpb.la" "_mpb.la" )
libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/x86_64-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 -fcf-protection -Wall -W -c meep-python.cxx -fPIC -DPIC -o _meep_la-meep-python.o >/dev/null 2>&1
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+/bin/sh ../libtool --tag=CXX --mode=link x86_64-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 -fcf-protection -Wall -W -module -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-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/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath
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libtool: link: (cd ".libs" && rm -f "_meep.so.33" && ln -s "_meep.so.33.0.0" "_meep.so.33")
libtool: link: (cd ".libs" && rm -f "_meep.so" && ln -s "_meep.so.33.0.0" "_meep.so")
@@ -2905,94 +2941,94 @@
make aniso_disp bench bragg_transmission convergence_cyl_waveguide cylindrical dump_load flux harmonics integrate known_results near2far one_dimensional physical stress_tensor symmetry three_d two_dimensional 2D_convergence h5test pml pw-source-ll ring-ll cyl-ellipsoid-ll absorber-1d-ll array-slice-ll user-defined-material dft-fields gdsII-3d bend-flux-ll array-metadata
make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/tests'
x86_64-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 -fcf-protection -Wall -W -c -o aniso_disp.o aniso_disp.cpp
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x86_64-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 -fcf-protection -Wall -W -c -o bench.o bench.cpp
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+/bin/sh ../libtool --tag=CXX --mode=link x86_64-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 -fcf-protection -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o bench bench.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath
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x86_64-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 -fcf-protection -Wall -W -c -o bragg_transmission.o bragg_transmission.cpp
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+./doc/docs/images/power_density_map.png
+./doc/docs/images/directional_coupler_flux.png
+./doc/docs/images/klayout_schematic.png
+./doc/docs/images/parallel_wvgs_s0.1.png
+./doc/docs/images/stochastic_emitter_line_normalized_flux_comparison.png
+./doc/docs/images/directional_coupler_field_profiles.png
+./doc/docs/images/BentFluxFieldsVisualization.png
+./doc/docs/images/Holey-wvg-cavity-hz-slice.png
+./doc/docs/images/meep_salt_comparison_full.png
+./doc/docs/images/grating.png
+./doc/docs/images/3rd-harm-1d-flux.png
+./doc/docs/images/prism_epsilon.png
+./doc/docs/images/finite_grating_nperiods20.png
+./doc/docs/images/refl_coeff_vs_taper_length.png
+./doc/docs/images/farfields_vs_DFTfields_holeycavity.png
+./doc/docs/images/chunk_division_binary_tree.png
+./doc/docs/images/adaptive_chunk_layout.gif
+./doc/docs/images/Yee_grid_cylindrical.png
+./doc/docs/images/ring_matfunc_freq_vs_resolution.png
+./doc/docs/images/3rd-harm-1d-vs-chi.png
+./doc/docs/images/finite_grating_nperiods5.png
+./doc/docs/images/metasurface_lens_phasemap.png
+./doc/docs/images/stochastic_emitter_trials.png
+./doc/docs/images/output_epsilon_kpoint.png
+./doc/docs/images/Chunks_YSymmetry.png
+./doc/docs/images/Holey-wvg-cavity-Q.png
+./doc/docs/images/waveguide_rotation_glancing.png
+./doc/docs/images/pypackage_creation.png
+./doc/docs/images/reflectance_angular_spectrum.png
+./doc/docs/images/Tutorial-wvg-straight-ez-000200.00.png
+./doc/docs/images/cwsrc_turnon.png
+./doc/docs/images/mode_converter_refl_tran_spectra.png
+./doc/docs/images/Tutorial-wvg-straight-eps-000000.00.png
+./doc/docs/images/parallel_benchmark_timestep.png
+./doc/docs/images/BentFluxGeometryVisualization.png
+./doc/docs/images/antenna_pec_ground_plane.png
+./doc/docs/images/triangular_lattice.png
+./doc/docs/images/grating_diffraction_spectra_n2f.png
+./doc/docs/images/Waveguide_forces.png
+./doc/docs/images/Ring-cyl-ez-0.176.png
+./doc/docs/images/Python-Tutorial-wvg-straight-eps-000000.00.png
+./doc/docs/images/pwsource_Ey_PML.png
+./doc/docs/images/chunk_balancer_variance.jpg
+./doc/docs/images/PermittivityWithLabeledAxes.png
+./doc/docs/images/Holey-wvg-cavity-eps-000000.00.png
+./doc/docs/images/multi_mode_eigsource_pulse_B.png
+./doc/docs/images/Material-dispersion-bands.png
+./doc/docs/images/Repulsive.jpg
+./doc/docs/images/meep_salt_comparison_thresh.png
+./doc/docs/images/Maxwell_equations_cylindrical.png
+./doc/docs/images/fused_quartz_reflectance_spectrum.png
+./doc/docs/images/mie_scattering.png
+./doc/docs/images/Holey-wvg-cavity-hz.gif
+./doc/docs/images/Holey-cavity-trans.png
+./doc/docs/images/C2_symmetry.png
+./doc/docs/images/subpixel_smoothing.png
+./doc/docs/images/pml_glancing_field.png
+./doc/docs/images/Holey-wvg-bands.png
+./doc/docs/images/chunk_balancer_timing_stats.gif
+./doc/docs/images/zone_plate_farfield.png
+./doc/docs/images/Python-Tutorial-wvg-straight-ez-000200.00.png
+./doc/docs/images/residue_fields_bound_charges.png
+./doc/docs/images/eigenmode_planewave.png
+./doc/docs/images/ChunkingAndSymmetry.svg
+./doc/docs/images/Metalcavity_ldos.png
+./doc/docs/images/stochastic_emitter_normalized_flux_comparison.png
+./doc/docs/images/metasurface_lens_farfield.png
+./doc/docs/images/SiO2_materials_library.png
+./doc/docs/images/disc_dipoles_radiation_pattern.png
+./doc/docs/images/gaussian_beam.png
+./doc/docs/images/mode_converter_worst_case_refl_tran.png
+./doc/docs/images/Tut-ring-ez-0.147.gif
+./doc/docs/images/Example.jpg
+./doc/docs/images/Tut-ring-ez-0.175.gif
+./doc/docs/images/stochastic_emitter_forward_vs_backward_flux_spectrum.png
+./doc/docs/images/waveguide_rotation_glancing_small.png
+./doc/docs/images/Tut-holey-cavity.png
+./doc/docs/images/Faraday-rotation-comparison.png
+./doc/docs/images/Vac.jpg
+./doc/docs/images/Surface-force.jpg
+./doc/docs/images/mode_converter_sim_layout.png
+./doc/docs/images/Tut-bend-flux.png
+./doc/docs/images/Material-dispersion-eps.png
+./doc/docs/images/Chunks_NP8.png
+./doc/docs/images/Field-visualization.jpg
+./doc/docs/images/disc_radiation_layout.png
+./doc/docs/images/grating_diffraction_spectra.png
+./doc/docs/images/finite_grating_schematic.png
+./doc/docs/images/Python-Tutorial-wvg-bent-ez-tslice.png
+./doc/docs/images/extraction_eff_vs_dipole_height.png
+./doc/docs/images/dipole_extraction_eff_cyl.png
+./doc/docs/images/disc_radiation_pattern_polar_vs_3d.png
+./doc/docs/images/Holey-wvg-cavity-hz-001401.23.png
+./doc/docs/images/ring_subpixel_smoothing_rate.png
+./doc/docs/images/Ring-cyl-ez-0.148.png
+./doc/docs/images/sphere_epsilon.png
+./doc/docs/images/line_source_DCT_ampfunc_convergence.png
+./doc/docs/images/Ring-cyl-ez-0.118.png
+./doc/docs/images/Chunks_XYSymmetry.png
+./doc/docs/images/PML_failure.png
+./doc/docs/images/pwsource_Ez_PML.png
+./doc/docs/images/Holey-wvg-kx=0.25-w=0.2506.gif
+./doc/docs/images/multilevel_meep_n0_37_spectra.png
+./doc/docs/images/Tutorial-wvg-ez.gif
+./doc/docs/images/CWsolver-scheme.png
+./doc/docs/images/multi_mode_eigsource_pulse_A.png
+./doc/docs/images/parallel_benchmark_runtime_vs_nprocs.png
+./doc/docs/Mode_Decomposition.md
+./doc/docs/setup.py
+./doc/docs/css
+./doc/docs/css/extra.css
+./doc/docs/index.md
+./doc/docs/Yee_Lattice.md
+./doc/docs/Units_and_Nonlinearity.md
+./doc/docs/Download.md
+./doc/docs/Materials.md
+./doc/docs/Eigensolver_Math.md
+./doc/docs/mathjaxhelper.js
+./doc/docs/Build_From_Source.md
+./doc/docs/Developer_Codes
+./doc/docs/Developer_Codes/Makefile.manual
+./doc/docs/Developer_Codes/WriteChunkInfo.cpp
+./doc/docs/Introduction.md
+./doc/docs/Synchronizing_the_Magnetic_and_Electric_Fields.md
+./doc/docs/Python_Tutorials
+./doc/docs/Python_Tutorials/Local_Density_of_States.md
+./doc/docs/Python_Tutorials/Multilevel_Atomic_Susceptibility.md
+./doc/docs/Python_Tutorials/Basics.md
+./doc/docs/Python_Tutorials/Mode_Decomposition.md
+./doc/docs/Python_Tutorials/Material_Dispersion.md
+./doc/docs/Python_Tutorials/Eigenmode_Source.md
+./doc/docs/Python_Tutorials/Gyrotropic_Media.md
+./doc/docs/Python_Tutorials/Cylindrical_Coordinates.md
+./doc/docs/Python_Tutorials/Custom_Source.md
+./doc/docs/Python_Tutorials/Optical_Forces.md
+./doc/docs/Python_Tutorials/Near_to_Far_Field_Spectra.md
+./doc/docs/Python_Tutorials/GDSII_Import.md
+./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/Frequency_Domain_Solver.md
+./doc/docs/Python_Tutorials/Adjoint_Solver.md
+./doc/docs/Python_Developer_Information.md
+./doc/docs/Parallel_Meep.md
+./doc/docs/Replacements.vim
+./doc/docs/Subpixel_Smoothing.md
+./doc/docs/C++_Tutorial.md
+./doc/docs/Scheme_User_Interface.md
+./doc/docs/FAQ.md
+./doc/docs/Guile_and_Scheme_Information.md
+./doc/docs/Perfectly_Matched_Layer.md
+./doc/docs/License_and_Copyright.md
+./doc/docs/Field_Functions.md
+./doc/docs/2d_Cell_Special_kz.md
+./doc/docs/Python_User_Interface.md
+./doc/docs/The_Run_Function_Is_Not_A_Loop.md
+./doc/docs/mdx_math.py
+./doc/requirements.txt
+./doc/README.md
+./doc/bfast
+./doc/bfast/fixed_angle_broadband_simulations_in_Meep.md
+./doc/meep-logos.svg
+./doc/_api_snippets
+./doc/_api_snippets/class_template.md
+./doc/_api_snippets/method_template.md
+./doc/_api_snippets/function_template.md
+./LICENSE
+./config.guess
+./libtool
+./contrib
+./contrib/build-meep.sh
+./configure
+./config.sub
+./compile
+./config.h.in
+./.readthedocs.yaml
+./install-sh
./ltmain.sh
-./TODO
-./Makefile.am
-./test-driver
-./index.md
+./.github
+./.github/workflows
+./.github/workflows/pre-commit.yml
+./.github/workflows/build-san.yml
+./.github/workflows/build-ci.yml
+./.github/dependabot.yml
+./.gitattributes
./meep-pkgconfig
-./.gitignore
-./version.sh
-./Makefile
-./config.h
-./debian
-./debian/watch
-./debian/libmeep33.install
-./debian/python3-meep.postinst
-./debian/changelog
-./debian/source
-./debian/source/format
-./debian/source/lintian-overrides
-./debian/meep.docs
-./debian/README.source
-./debian/docs
-./debian/libmeep-dev.install
-./debian/python3-meep.prerm
-./debian/missing-sources
-./debian/missing-sources/jquery-2.1.1.js
-./debian/missing-sources/highlight.js
-./debian/missing-sources/modernizr-2.8.3.js
-./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/control
-./debian/upstream
-./debian/upstream/metadata
-./debian/meep.install
-./debian/meep.1
-./debian/rules
-./debian/libmeep33.lintian-overrides
-./debian/meep.manpages
-./debian/copyright
-./debian/autoreconf.after
-./debian/patches
-./debian/patches/series
-./debian/patches/i386-fix.patch
-./debian/patches/python-distutils.patch
-./debian/autoreconf.before
-./debian/python3-meep.install
-./install-sh
./libpympb
-./libpympb/pympb.cpp
-./libpympb/.libs
-./libpympb/.libs/libpympb.lai
-./libpympb/.libs/libpympb_la-pympb.o
-./libpympb/.libs/libpympb.so
-./libpympb/.libs/libpympb.la
-./libpympb/.libs/libpympb.a
-./libpympb/.libs/libpympb.so.33.0.0
-./libpympb/.libs/libpympb.so.33
+./libpympb/libpympb_la-pympb.lo
./libpympb/Makefile.am
+./libpympb/Makefile.in
./libpympb/Makefile
-./libpympb/libpympb_la-pympb.lo
./libpympb/libpympb_la-pympb.o
./libpympb/libpympb.la
-./libpympb/Makefile.in
+./libpympb/pympb.cpp
./libpympb/pympb.hpp
-./.sourcery.yaml
+./libpympb/.libs
+./libpympb/.libs/libpympb_la-pympb.o
+./libpympb/.libs/libpympb.la
+./libpympb/.libs/libpympb.so.33
+./libpympb/.libs/libpympb.so.33.0.0
+./libpympb/.libs/libpympb.lai
+./libpympb/.libs/libpympb.so
+./libpympb/.libs/libpympb.a
+./test-driver
+./AUTHORS
+./config.log
./python
-./python/_mpb_la-mpb-python.o
-./python/mpb_data.py
-./python/requirements.txt
-./python/source.py
+./python/Makefile.am
./python/meep-python.cxx
./python/materials.py
-./python/meep-python.hpp
./python/mpb.py
-./python/meep.i
+./python/verbosity_mgr.py
+./python/solver.py
+./python/_mpb.la
+./python/_meep.la
+./python/Makefile.in
+./python/meep
+./python/meep/materials.py
+./python/meep/verbosity_mgr.py
+./python/meep/__pycache__
+./python/meep/__pycache__/verbosity_mgr.cpython-313.pyc
+./python/meep/__pycache__/timing_measurements.cpython-313.pyc
+./python/meep/__pycache__/source.cpython-313.pyc
+./python/meep/__pycache__/visualization.cpython-313.pyc
+./python/meep/__pycache__/simulation.cpython-313.pyc
+./python/meep/__pycache__/materials.cpython-313.pyc
+./python/meep/__pycache__/binary_partition_utils.cpython-313.pyc
+./python/meep/__pycache__/geom.cpython-313.pyc
+./python/meep/__pycache__/__init__.cpython-313.pyc
+./python/meep/_meep.so
+./python/meep/simulation.py
+./python/meep/geom.py
+./python/meep/chunk_balancer.py
+./python/meep/__init__.py
+./python/meep/mpb
+./python/meep/mpb/__pycache__
+./python/meep/mpb/__pycache__/mpb_data.cpython-313.pyc
+./python/meep/mpb/__pycache__/solver.cpython-313.pyc
+./python/meep/mpb/__pycache__/__init__.cpython-313.pyc
+./python/meep/mpb/solver.py
+./python/meep/mpb/__init__.py
+./python/meep/mpb/_mpb.so
+./python/meep/mpb/mpb_data.py
+./python/meep/adjoint
+./python/meep/adjoint/__pycache__
+./python/meep/adjoint/__pycache__/optimization_problem.cpython-313.pyc
+./python/meep/adjoint/__pycache__/objective.cpython-313.pyc
+./python/meep/adjoint/__pycache__/filter_source.cpython-313.pyc
+./python/meep/adjoint/__pycache__/basis.cpython-313.pyc
+./python/meep/adjoint/__pycache__/utils.cpython-313.pyc
+./python/meep/adjoint/__pycache__/__init__.cpython-313.pyc
+./python/meep/adjoint/connectivity.py
+./python/meep/adjoint/filters.py
+./python/meep/adjoint/objective.py
+./python/meep/adjoint/__init__.py
+./python/meep/adjoint/optimization_problem.py
+./python/meep/adjoint/basis.py
+./python/meep/adjoint/wrapper.py
+./python/meep/adjoint/filter_source.py
+./python/meep/adjoint/utils.py
+./python/meep/adjoint/unfilter_design.py
+./python/meep/visualization.py
+./python/meep/binary_partition_utils.py
+./python/meep/timing_measurements.py
+./python/meep/source.py
+./python/Makefile
+./python/typemap_utils.cpp
+./python/numpy.i
+./python/requirements.txt
+./python/simulation.py
+./python/geom.py
+./python/_mpb_la-mpb-python.lo
+./python/meep-python.hpp
+./python/mpb-python.cxx
./python/chunk_balancer.py
+./python/__init__.py
+./python/mpb.i
+./python/_meep_la-meep-python.lo
./python/tests
-./python/tests/test_binary_grating.trs
-./python/tests/test_chunk_layout.py
-./python/tests/test_dft_energy.trs
-./python/tests/test_multilevel_atom.trs
-./python/tests/test_cyl_ellipsoid.trs
-./python/tests/test_cavity_farfield.py
-./python/tests/test_cavity_farfield.trs
-./python/tests/test_gaussianbeam.trs
-./python/tests/test_conductivity.trs
-./python/tests/test_field_functions.trs
-./python/tests/test_materials_library.trs
+./python/tests/test_source.py
+./python/tests/test_fragment_stats.trs
+./python/tests/test_refl_angular.log
+./python/tests/test_material_dispersion.py
+./python/tests/test_eigfreq.trs
+./python/tests/test_integrated_source.trs
+./python/tests/test_bend_flux.py
+./python/tests/test_mode_coeffs.trs
+./python/tests/test_wvg_src.log
+./python/tests/test_prism.py
+./python/tests/test_dump_load.trs
+./python/tests/test_holey_wvg_bands.log
+./python/tests/test_force.trs
./python/tests/test_materials_library.py
-./python/tests/test_wvg_src.trs
-./python/tests/test_holey_wvg_cavity.log
+./python/tests/test_material_grid.trs
+./python/tests/test_get_epsilon_grid.log
+./python/tests/test_cyl_ellipsoid.py
+./python/tests/test_simulation.trs
+./python/tests/test_chunks.trs
+./python/tests/test_binary_partition_utils.trs
+./python/tests/test_n2f_periodic.log
+./python/tests/test_kdom.trs
+./python/tests/test_material_dispersion.trs
+./python/tests/test_force.log
./python/tests/test_chunk_balancer.py
+./python/tests/test_dump_load.py
+./python/tests/__pycache__
+./python/tests/__pycache__/utils.cpython-313.pyc
./python/tests/test_verbosity_mgr.py
-./python/tests/test_adjoint_jax.log
-./python/tests/test_pw_source.py
-./python/tests/test_physical.log
-./python/tests/test_dump_load.trs
-./python/tests/test_absorber_1d.py
-./python/tests/test_refl_angular.log
-./python/tests/test_medium_evaluations.trs
-./python/tests/test_chunks.py
-./python/tests/test_absorber_1d.log
-./python/tests/test_source.trs
-./python/tests/test_refl_angular.py
+./python/tests/test_geom.trs
+./python/tests/test_materials_library.trs
+./python/tests/test_adjoint_solver.trs
+./python/tests/test_get_point.trs
+./python/tests/test_chunks.log
+./python/tests/test_kdom.log
+./python/tests/test_bend_flux.log
+./python/tests/test_special_kz.trs
+./python/tests/test_force.py
./python/tests/test_dispersive_eigenmode.log
-./python/tests/test_ring.log
-./python/tests/test_gaussianbeam.py
-./python/tests/test_absorber_1d.trs
+./python/tests/test_pw_source.log
+./python/tests/test_ring.trs
+./python/tests/test_chunk_layout.py
+./python/tests/test_adjoint_cyl.log
+./python/tests/test_physical.trs
+./python/tests/test_material_grid.py
+./python/tests/test_geom.log
+./python/tests/test_chunk_balancer.trs
+./python/tests/test_mpb.trs
+./python/tests/test_dft_energy.py
+./python/tests/test_3rd_harm_1d.py
+./python/tests/test_simulation.log
+./python/tests/test_cavity_farfield.log
+./python/tests/test_faraday_rotation.log
./python/tests/test_timing_measurements.trs
-./python/tests/test_adjoint_cyl.trs
-./python/tests/test_ring_cyl.log
-./python/tests/test_divide_mpi_processes.py
-./python/tests/test_divide_mpi_processes.trs
-./python/tests/test_binary_partition_utils.py
+./python/tests/test_mode_decomposition.trs
./python/tests/test_visualization.log
-./python/tests/test_adjoint_solver.py
-./python/tests/test_dump_load.log
+./python/tests/test_3rd_harm_1d.log
+./python/tests/test_pw_source.trs
./python/tests/test_adjoint_cyl.py
-./python/tests/test_fragment_stats.trs
-./python/tests/__pycache__
-./python/tests/__pycache__/utils.cpython-313.pyc
-./python/tests/test_prism.trs
+./python/tests/test_fragment_stats.log
+./python/tests/test_array_metadata.trs
+./python/tests/test_conductivity.py
+./python/tests/test_adjoint_solver.log
+./python/tests/test_user_defined_material.log
+./python/tests/test_ring_cyl.py
+./python/tests/test_dft_fields.trs
+./python/tests/test_get_epsilon_grid.trs
+./python/tests/test_source.trs
+./python/tests/test_adjoint_cyl.trs
+./python/tests/test_physical.log
+./python/tests/test_n2f_periodic.trs
+./python/tests/test_multilevel_atom.py
+./python/tests/test_adjoint_utils.log
+./python/tests/test_holey_wvg_bands.py
+./python/tests/test_holey_wvg_cavity.py
+./python/tests/test_field_functions.py
+./python/tests/test_get_point.py
+./python/tests/test_pml_cyl.py
+./python/tests/test_dft_energy.trs
+./python/tests/test_material_grid.log
+./python/tests/test_oblique_source.trs
+./python/tests/test_prism.log
+./python/tests/test_field_functions.log
+./python/tests/test_dft_energy.log
+./python/tests/test_gaussianbeam.trs
./python/tests/test_array_metadata.log
+./python/tests/test_mpb.py
+./python/tests/test_user_defined_material.trs
+./python/tests/test_diffracted_planewave.log
+./python/tests/test_ring_cyl.trs
+./python/tests/test_user_defined_material.py
+./python/tests/test_adjoint_utils.py
+./python/tests/test_mode_coeffs.log
+./python/tests/test_medium_evaluations.trs
+./python/tests/test_adjoint_utils.trs
+./python/tests/test_pw_source.py
+./python/tests/test_binary_partition_utils.py
+./python/tests/test_chunk_layout.trs
+./python/tests/test_conductivity.trs
+./python/tests/test_holey_wvg_bands.trs
+./python/tests/test_visualization.py
+./python/tests/test_adjoint_jax.log
+./python/tests/test_array_metadata.py
+./python/tests/test_prism.trs
+./python/tests/test_antenna_radiation.py
+./python/tests/test_get_epsilon_grid.py
./python/tests/test_antenna_radiation.trs
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-./doc/docs/images/refl_coeff_flat_interface.png
-./doc/docs/images/subpixel_smoothing.png
-./doc/docs/images/Holey-wvg-kx=0.25-w=0.2506.gif
-./doc/docs/images/mie_scattering_schematic.png
-./doc/docs/images/Holey-wvg-bands-eps-000000.00.png
-./doc/docs/images/Ring-cyl-ez-0.118.png
-./doc/docs/images/parallel_benchmark_DFT.png
-./doc/docs/images/antenna_pec_ground_plane.png
-./doc/docs/images/farfields_vs_DFTfields_holeycavity.png
-./doc/docs/images/mie_scattering.png
-./doc/docs/images/residue_fields_bound_charges.png
-./doc/docs/images/adaptive_chunk_layout.gif
-./doc/docs/images/grating_0th_order_tran.png
-./doc/docs/images/Yee-cube.png
-./doc/docs/images/parallel_wvgs_s0.1.png
-./doc/docs/images/parallel_benchmark_timestep.png
-./doc/docs/images/Tut-bend-flux.png
-./doc/docs/images/Holey-wvg-kx=0.10-w=0.4811.gif
-./doc/docs/images/metasurface_lens_farfield.png
-./doc/docs/images/Chunks_XYSymmetry.png
-./doc/docs/images/Tutorial-wvg-bent-ez-tslice.png
-./doc/docs/images/stochastic_emitter_line_normalized_flux_comparison.png
-./doc/docs/images/chunk_balancer_variance.jpg
-./doc/docs/images/3rd-harm-1d-vs-chi.png
-./doc/docs/images/pwsource_Ez_PML.png
-./doc/docs/images/Metalcavity_ldos.png
-./doc/docs/images/Maxwell_equations_cylindrical.png
-./doc/docs/images/Meep-logo.png
-./doc/docs/images/gaussian_beam.png
-./doc/docs/images/CWsolver-python.png
-./doc/docs/images/polarization_grating_diffraction_orders.png
-./doc/docs/images/polarization_grating_schematic.png
-./doc/docs/images/CWsolver-scheme.png
-./doc/docs/images/metasurface_lens_epsilon.png
-./doc/docs/images/directional_coupler_field_profiles.png
-./doc/docs/images/Holey-wvg-cavity-eps-000000.00.png
-./doc/docs/images/pwsource_Ey_PML.png
-./doc/docs/images/cwsrc_turnon.png
-./doc/docs/images/power_density_cell.png
-./doc/docs/images/ChunkingAndSymmetry.svg
-./doc/docs/images/power_density_map.png
-./doc/docs/images/coupler_refl_S11_S12.png
-./doc/docs/images/N2ff_comp_cell.png
-./doc/docs/images/C2_symmetry.png
-./doc/docs/images/ChunkStatistics.png
-./doc/docs/images/output_epsilon_kpoint.png
-./doc/docs/images/Tut-ring-ez-0.175.gif
-./doc/docs/images/pml_glancing_field.png
-./doc/docs/Scheme_Tutorials
-./doc/docs/Scheme_Tutorials/Mode_Decomposition.md
-./doc/docs/Scheme_Tutorials/Eigenmode_Source.md
-./doc/docs/Scheme_Tutorials/Near_to_Far_Field_Spectra.md
-./doc/docs/Scheme_Tutorials/Resonant_Modes_and_Transmission_in_a_Waveguide_Cavity.md
-./doc/docs/Scheme_Tutorials/Frequency_Domain_Solver.md
-./doc/docs/Scheme_Tutorials/Multilevel_Atomic_Susceptibility.md
-./doc/docs/Scheme_Tutorials/Casimir_Forces.md
-./doc/docs/Scheme_Tutorials/Local_Density_of_States.md
-./doc/docs/Scheme_Tutorials/Cylindrical_Coordinates.md
-./doc/docs/Scheme_Tutorials/Custom_Source.md
-./doc/docs/Scheme_Tutorials/Gyrotropic_Media.md
-./doc/docs/Scheme_Tutorials/Optical_Forces.md
-./doc/docs/Scheme_Tutorials/Material_Dispersion.md
-./doc/docs/Scheme_Tutorials/Basics.md
-./doc/docs/Scheme_Tutorials/Third_Harmonic_Generation.md
-./doc/docs/License_and_Copyright.md
-./doc/generate_py_api.py
-./doc/meep-logos.svg
-./compile
-./.gitattributes
-./config.log
-./monkeytype.sqlite3
-./.flake8
-./config.guess
-./Makefile.in
-./py-compile
-./codecov.yml
-./configure.ac
-./contrib
-./contrib/build-meep.sh
-./.travis.yml
+./autom4te.cache/output.2
+./autom4te.cache/traces.3
./NEWS.md
+./src
+./src/integrate.cpp
+./src/Makefile.am
+./src/fix_boundary_sources.cpp
+./src/monitor.lo
+./src/casimir.o
+./src/energy_and_flux.o
+./src/bicgstab.cpp
+./src/boundaries.o
+./src/structure.cpp
+./src/multilevel-atom.lo
+./src/material_data.hpp
+./src/step_db.o
+./src/meepgeom.o
+./src/mpb.cpp
+./src/step.lo
+./src/material_data.cpp
+./src/integrate2.lo
+./src/update_eh.cpp
+./src/fields_dump.o
+./src/dft_ldos.cpp
+./src/energy_and_flux.lo
+./src/cw_fields.cpp
+./src/step_generic_stride1.cpp
+./src/fix_boundary_sources.lo
+./src/step.o
+./src/sources.o
+./src/update_pols.lo
+./src/meepgeom.hpp
+./src/structure_dump.lo
+./src/sphere-quad.o
+./src/Makefile.in
+./src/meep
+./src/meep/mympi.hpp
+./src/meep/meep-config.h.in
+./src/meep/vec.hpp
+./src/meep/meep-config.h
+./src/Makefile
+./src/output_directory.cpp
+./src/integrate.o
+./src/bands.cpp
+./src/near2far.o
+./src/fields.o
+./src/step_generic.cpp
+./src/vec.o
+./src/time.o
+./src/material_data.o
+./src/initialize.cpp
+./src/meep.hpp
+./src/structure.o
+./src/multilevel-atom.cpp
+./src/structure.lo
+./src/mpb.lo
+./src/array_slice.lo
+./src/monitor.cpp
+./src/GDSIIgeom.o
+./src/time.lo
+./src/array_slice.cpp
+./src/loop_in_chunks.o
+./src/integrate2.o
+./src/dft.lo
+./src/initialize.o
+./src/time.cpp
+./src/random.lo
+./src/cw_fields.o
+./src/update_pols.o
+./src/stress.lo
+./src/sphere_quad
+./src/boundaries.lo
+./src/loop_in_chunks.lo
+./src/h5fields.o
+./src/susceptibility.cpp
+./src/step.cpp
+./src/output_directory.lo
+./src/boundaries.cpp
+./src/GDSIIgeom.cpp
+./src/bicgstab.lo
+./src/meep_internals.hpp
+./src/structure_dump.cpp
+./src/bicgstab.hpp
+./src/step_db.cpp
+./src/anisotropic_averaging.o
+./src/fields_dump.cpp
+./src/sources.lo
+./src/vec.cpp
+./src/libmeep.la
+./src/sources.cpp
+./src/mympi.cpp
+./src/structure_dump.o
+./src/fix_boundary_sources.o
+./src/support
+./src/support/Makefile.am
+./src/support/mt19937ar.o
+./src/support/libsupport.la
+./src/support/Makefile.in
+./src/support/Makefile
+./src/support/mt19937ar.lo
+./src/support/mt19937ar.c
+./src/support/meep_mt.h
+./src/support/.libs
+./src/support/.libs/mt19937ar.o
+./src/support/.libs/libsupport.la
+./src/support/.libs/libsupport.a
+./src/energy_and_flux.cpp
+./src/casimir.cpp
+./src/anisotropic_averaging.lo
+./src/h5file.lo
+./src/cw_fields.lo
+./src/step_generic_stride1.lo
+./src/random.cpp
+./src/h5file.o
+./src/bands.lo
+./src/step_db.lo
+./src/h5fields.cpp
+./src/sphere-quad.h
+./src/adjust_verbosity.hpp
+./src/bands.o
+./src/update_eh.lo
+./src/sphere-quad.cpp
+./src/stress.cpp
+./src/h5fields.lo
+./src/integrate.lo
+./src/mympi.lo
+./src/step_generic.o
+./src/GDSIIgeom.lo
+./src/monitor.o
+./src/meepgeom.cpp
+./src/dft_ldos.lo
+./src/step_generic.lo
+./src/h5file.cpp
+./src/bicgstab.o
+./src/step_generic_stride1.o
+./src/mpb.o
+./src/multilevel-atom.o
+./src/near2far.cpp
+./src/initialize.lo
+./src/near2far.lo
+./src/update_pols.cpp
+./src/integrate2.cpp
+./src/.libs
+./src/.libs/libmeep.so.33
+./src/.libs/casimir.o
+./src/.libs/energy_and_flux.o
+./src/.libs/boundaries.o
+./src/.libs/libmeep.a
+./src/.libs/libmeep.lai
+./src/.libs/step_db.o
+./src/.libs/meepgeom.o
+./src/.libs/fields_dump.o
+./src/.libs/step.o
+./src/.libs/sources.o
+./src/.libs/integrate.o
+./src/.libs/near2far.o
+./src/.libs/fields.o
+./src/.libs/vec.o
+./src/.libs/time.o
+./src/.libs/material_data.o
+./src/.libs/structure.o
+./src/.libs/GDSIIgeom.o
+./src/.libs/libmeep.so
+./src/.libs/loop_in_chunks.o
+./src/.libs/integrate2.o
+./src/.libs/initialize.o
+./src/.libs/cw_fields.o
+./src/.libs/update_pols.o
+./src/.libs/h5fields.o
+./src/.libs/anisotropic_averaging.o
+./src/.libs/libmeep.la
+./src/.libs/structure_dump.o
+./src/.libs/fix_boundary_sources.o
+./src/.libs/h5file.o
+./src/.libs/bands.o
+./src/.libs/step_generic.o
+./src/.libs/monitor.o
+./src/.libs/bicgstab.o
+./src/.libs/step_generic_stride1.o
+./src/.libs/mpb.o
+./src/.libs/multilevel-atom.o
+./src/.libs/libmeep.so.33.0.0
+./src/.libs/array_slice.o
+./src/.libs/update_eh.o
+./src/.libs/output_directory.o
+./src/.libs/dft.o
+./src/.libs/dft_ldos.o
+./src/.libs/stress.o
+./src/.libs/mympi.o
+./src/.libs/random.o
+./src/.libs/susceptibility.o
+./src/susceptibility.lo
+./src/array_slice.o
+./src/anisotropic_averaging.cpp
+./src/fields.cpp
+./src/update_eh.o
+./src/output_directory.o
+./src/fields_dump.lo
+./src/casimir.lo
+./src/dft.o
+./src/material_data.lo
+./src/dft_ldos.o
+./src/stress.o
+./src/vec.lo
+./src/mympi.o
+./src/dft.cpp
+./src/fields.lo
+./src/random.o
+./src/loop_in_chunks.cpp
+./src/susceptibility.o
+./src/meepgeom.lo
+./missing
+./scheme
+./scheme/meep_op_renames.i
+./scheme/meep_renames.i
+./scheme/Makefile.am
+./scheme/meep_wrap.cxx
+./scheme/structure.cpp
+./scheme/meep-ctl-swig.hpp
+./scheme/Makefile.in
+./scheme/meep
+./scheme/Makefile
+./scheme/meep_enum_renames.i
+./scheme/meep_wrap.cxx.bak
+./scheme/meep-main.o
+./scheme/meep-enums.scm
+./scheme/meep-meep.o
+./scheme/meep.scm
+./scheme/meep_wrap.cxx.orig
+./scheme/main.cpp
+./scheme/ctl-io.h
+./scheme/casimir.scm
+./scheme/meep-meep_wrap.o
+./scheme/meep_swig_bug_workaround.i
+./scheme/meep-geom.o
+./scheme/ctl-io.i
+./scheme/meep_wrap.patch
+./scheme/meep-ctl-const.hpp
+./scheme/meep-ctl-io.o
+./scheme/ctl-io.cpp
+./scheme/materials.scm
+./scheme/geom.cpp
+./scheme/examples
+./scheme/examples/mie-scattering.ctl
+./scheme/examples/solve-cw.ctl
+./scheme/examples/3rd-harm-1d.ctl
+./scheme/examples/holey-wvg-bands.ctl
+./scheme/examples/refl-angular-kz2d.ctl
+./scheme/examples/holey-wvg-cavity.ctl
+./scheme/examples/cavity-farfield.ctl
+./scheme/examples/oblique-source.ctl
+./scheme/examples/binary_grating_n2f.ctl
+./scheme/examples/faraday-rotation.ctl
+./scheme/examples/cherenkov-radiation.ctl
+./scheme/examples/mode-coeffs.ctl
+./scheme/examples/polarization_grating.ctl
+./scheme/examples/binary_grating_phasemap.ctl
+./scheme/examples/metasurface_lens_farfield.ctl
+./scheme/examples/metal-cavity-ldos.ctl
+./scheme/examples/material-dispersion.ctl
+./scheme/examples/parallel-wvgs-mpb.ctl
+./scheme/examples/mode-decomposition.ctl
+./scheme/examples/finite_grating.ctl
+./scheme/examples/cylinder-cross-section.ctl
+./scheme/examples/refl-angular.ctl
+./scheme/examples/ring-cyl.ctl
+./scheme/examples/pw-source.ctl
+./scheme/examples/chirped-pulse.ctl
+./scheme/examples/wvg_src.ctl
+./scheme/examples/bent-waveguide.ctl
+./scheme/examples/zone-plate.ctl
+./scheme/examples/stochastic-emitter.ctl
+./scheme/examples/straight-waveguide.ctl
+./scheme/examples/metasurface_lens_phasemap.ctl
+./scheme/examples/ring.ctl
+./scheme/examples/multilevel-atom.ctl
+./scheme/examples/oblique-planewave.ctl
+./scheme/examples/antenna-radiation.ctl
+./scheme/examples/refl-quartz.ctl
+./scheme/examples/perturbation-theory-2d.ctl
+./scheme/examples/perturbation-theory.ctl
+./scheme/examples/group-velocity.ctl
+./scheme/examples/absorbed-power-density.ctl
+./scheme/examples/bend-flux.ctl
+./scheme/examples/differential-cross-section.ctl
+./scheme/examples/parallel-wvgs-force.ctl
+./scheme/examples/gaussian-beam.ctl
+./scheme/examples/binary_grating_oblique.ctl
+./scheme/examples/binary_grating.ctl
+./scheme/meep.cpp
+./scheme/meep-ctl.hpp
+./scheme/.libs
+./scheme/.libs/meep
+./scheme/meep-structure.o
+./scheme/meep.i
+./scheme/meep.scm.in
========================================
meep 1.29.0: python/test-suite.log
========================================
@@ -4538,7 +4574,7 @@
# XPASS: 0
# ERROR: 0
-System information (uname -a): Linux 6.12.12+bpo-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.12.12-1~bpo12+1 (2025-02-23) x86_64
+System information (uname -a): Linux 6.1.0-31-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.1.128-1 (2025-02-07) x86_64
Distribution information (/etc/os-release):
PRETTY_NAME="Debian GNU/Linux trixie/sid"
NAME="Debian GNU/Linux"
@@ -4553,7 +4589,7 @@
FAIL: tests/test_adjoint_solver
===============================
-Matplotlib created a temporary cache directory at /tmp/matplotlib-usksy2xp 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.
+Matplotlib created a temporary cache directory at /tmp/matplotlib-3r9ai30n because the default path (/nonexistent/second-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
@@ -4574,13 +4610,13 @@
from autograd import grad, jacobian
ModuleNotFoundError: No module named 'autograd'
-Elapsed run time = 0.8967 s
+Elapsed run time = 3.9058 s
FAIL tests/test_adjoint_solver.py (exit status: 1)
FAIL: tests/test_adjoint_utils
==============================
-Matplotlib created a temporary cache directory at /tmp/matplotlib-z_w0tpbr 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.
+Matplotlib created a temporary cache directory at /tmp/matplotlib-a5drmgzu because the default path (/nonexistent/second-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
@@ -4601,13 +4637,13 @@
from autograd import grad, jacobian
ModuleNotFoundError: No module named 'autograd'
-Elapsed run time = 0.4279 s
+Elapsed run time = 0.6119 s
FAIL tests/test_adjoint_utils.py (exit status: 1)
FAIL: tests/test_adjoint_cyl
============================
-Matplotlib created a temporary cache directory at /tmp/matplotlib-a2__w8ki 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.
+Matplotlib created a temporary cache directory at /tmp/matplotlib-icrz48b2 because the default path (/nonexistent/second-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
@@ -4628,7 +4664,7 @@
from autograd import grad, jacobian
ModuleNotFoundError: No module named 'autograd'
-Elapsed run time = 0.2108 s
+Elapsed run time = 1.7598 s
FAIL tests/test_adjoint_cyl.py (exit status: 1)
FAIL: tests/test_adjoint_jax
@@ -4643,13 +4679,13 @@
FAIL: tests/test_binary_partition_utils
=======================================
-Matplotlib created a temporary cache directory at /tmp/matplotlib-v_fwq5wc 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.
+Matplotlib created a temporary cache directory at /tmp/matplotlib-nb2q6ud1 because the default path (/nonexistent/second-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 = 0.0037 s
+Elapsed run time = 0.0386 s
FAIL tests/test_binary_partition_utils.py (exit status: 1)
FAIL: tests/test_binary_grating
@@ -4664,19 +4700,19 @@
FAIL: tests/test_chunk_balancer
===============================
-Matplotlib created a temporary cache directory at /tmp/matplotlib-fvvg9p9z 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.
+Matplotlib created a temporary cache directory at /tmp/matplotlib-dr_3ch8n because the default path (/nonexistent/second-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
+Elapsed run time = 0.0249 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-s81jy622 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.
+Matplotlib created a temporary cache directory at /tmp/matplotlib-_pe2y1_u because the default path (/nonexistent/second-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
@@ -4686,13 +4722,13 @@
from autograd import grad, jacobian
ModuleNotFoundError: No module named 'autograd'
-Elapsed run time = 0.2292 s
+Elapsed run time = 6.9601 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-ug54u6zi 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.
+Matplotlib created a temporary cache directory at /tmp/matplotlib-_2ou4knh because the default path (/nonexistent/second-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
@@ -4713,15 +4749,15 @@
from autograd import grad, jacobian
ModuleNotFoundError: No module named 'autograd'
-Elapsed run time = 0.2158 s
+Elapsed run time = 2.6607 s
FAIL tests/test_material_grid.py (exit status: 1)
FAIL: tests/test_mpb
====================
-Matplotlib created a temporary cache directory at /tmp/matplotlib-6w63qf2r 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.
+Matplotlib created a temporary cache directory at /tmp/matplotlib-5n9tkeh4 because the default path (/nonexistent/second-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/meepFBAM2J/test_anisotropic_2d_gap-0
+/tmp/meepYM7cP9/test_anisotropic_2d_gap-0
========================
Initializing eigensolver data
Computing 8 bands with 1e-12 tolerance
@@ -4764,7 +4800,7 @@
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: 0.0018837451934814453
+elapsed time for initialization: 0.022668123245239258
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...
@@ -4875,7 +4911,7 @@
iteration 52: trace = 0.8320200571439169 (6.4797e-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: 0.12105560302734375
+elapsed time for k point: 1.2322378158569336
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 3 iterations.
@@ -4970,7 +5006,7 @@
iteration 45: trace = 0.830531883834597 (5.1746e-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: 0.16572952270507812
+elapsed time for k point: 1.9928624629974365
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 6 iterations.
@@ -5063,7 +5099,7 @@
iteration 44: trace = 0.8299239457452545 (6.27534e-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: 0.16238093376159668
+elapsed time for k point: 1.6674015522003174
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -5164,7 +5200,7 @@
iteration 48: trace = 0.828280840667424 (4.63508e-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: 0.17856550216674805
+elapsed time for k point: 2.559650421142578
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 6 iterations.
@@ -5247,7 +5283,7 @@
iteration 39: trace = 0.819574626229673 (5.83982e-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: 0.1468966007232666
+elapsed time for k point: 1.4297356605529785
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -5324,7 +5360,7 @@
iteration 36: trace = 0.8152593107299856 (8.53034e-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: 0.13326263427734375
+elapsed time for k point: 1.8358831405639648
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 3 iterations.
@@ -5405,7 +5441,7 @@
iteration 38: trace = 0.8101088212743903 (5.41195e-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: 0.1491236686706543
+elapsed time for k point: 2.1508359909057617
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 3 iterations.
@@ -5484,7 +5520,7 @@
iteration 37: trace = 0.8027830712683007 (5.80155e-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: 0.13640975952148438
+elapsed time for k point: 1.5057144165039062
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -5565,7 +5601,7 @@
iteration 38: trace = 0.8027156837865845 (5.42584e-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: 0.14573884010314941
+elapsed time for k point: 1.0103375911712646
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -5654,7 +5690,7 @@
iteration 42: trace = 0.8111283942460432 (9.43746e-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: 0.16057658195495605
+elapsed time for k point: 1.3203792572021484
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -5766,7 +5802,7 @@
iteration 53: trace = 0.8190722270473992 (9.58991e-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: 0.2035372257232666
+elapsed time for k point: 2.8433399200439453
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -5860,7 +5896,7 @@
iteration 44: trace = 0.809011111637009 (7.55874e-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: 0.16277670860290527
+elapsed time for k point: 1.7739827632904053
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -5933,7 +5969,7 @@
iteration 34: trace = 0.8101014661646309 (5.19136e-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: 0.13000011444091797
+elapsed time for k point: 1.5987796783447266
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 7 iterations.
@@ -6020,7 +6056,7 @@
iteration 41: trace = 0.8249014819373074 (9.02955e-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: 0.15881705284118652
+elapsed time for k point: 1.5320405960083008
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 6 iterations.
@@ -6101,7 +6137,7 @@
iteration 38: trace = 0.8293598597555062 (6.99311e-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: 0.15035033226013184
+elapsed time for k point: 1.4134483337402344
solve_kpoint (0,0,0):
Solving for bands 3 to 8...
linmin: converged after 4 iterations.
@@ -6186,7 +6222,7 @@
iteration 40: trace = 0.8320200571443126 (8.05559e-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: 0.0892341136932373
+..elapsed time for k point: 1.6265301704406738
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.22135702280024663 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2306191582641471 at Vector3<0.5, 0.5, 0.0>
Band 3 range: 0.2169677695447459 at Vector3<0.5, 0.0, 0.0> to 0.31899247656855334 at Vector3<0.0, 0.0, 0.0>
@@ -6195,15 +6231,15 @@
Band 6 range: 0.34196472550762014 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.3915546844259556 at Vector3<0.5, 0.1, 0.0>
Band 7 range: 0.3495385376612383 at Vector3<0.5, 0.5, 0.0> to 0.4073736001230435 at Vector3<0.4, 0.0, 0.0>
Band 8 range: 0.39613882331011147 at Vector3<0.09999999999999998, 0.09999999999999998, 0.0> to 0.4773065722591571 at Vector3<0.5, 0.5, 0.0>
-total elapsed time for run: 2.3978397846221924
+total elapsed time for run: 27.56475257873535
done
-/tmp/meepFBAM2J/test_anisotropic_2d_gap-0: 2.40s
+/tmp/meepYM7cP9/test_anisotropic_2d_gap-0: 27.57s
-/tmp/meepFBAM2J/test_attribute_accessors-0
+/tmp/meepYM7cP9/test_attribute_accessors-0
========================
-/tmp/meepFBAM2J/test_attribute_accessors-0: 0.00s
+/tmp/meepYM7cP9/test_attribute_accessors-0: 0.00s
-/tmp/meepFBAM2J/test_bragg-0
+/tmp/meepYM7cP9/test_bragg-0
========================
Initializing eigensolver data
Computing 8 bands with 1e-12 tolerance
@@ -6231,7 +6267,7 @@
Initializing fields to random numbers...
1 k-points
Vector3<0.5, 0.0, 0.0>
-elapsed time for initialization: 0.00022077560424804688
+elapsed time for initialization: 0.0008306503295898438
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...
@@ -6243,7 +6279,7 @@
linmin: converged after 8 iterations.
iteration 3: trace = 18.80241121676355 (5.29053% change)
linmin: converged after 9 iterations.
- switching to approximate line minimization (decrease time by 53.3333%)
+ switching to approximate line minimization (decrease time by 51.7572%)
iteration 4: trace = 18.64391851739208 (0.846506% change)
iteration 5: trace = 18.63017879178811 (0.0737226% change)
iteration 6: trace = 18.62916087316935 (0.00546396% change)
@@ -6252,19 +6288,24 @@
iteration 9: trace = 18.62908778007814 (3.72965e-06% change)
iteration 10: trace = 18.62908770043223 (4.27535e-07% change)
iteration 11: trace = 18.62908769519267 (2.81257e-08% change)
+ switching back to exact line minimization
iteration 12: trace = 18.62908769492712 (1.42543e-09% change)
- iteration 13: trace = 18.62908769487256 (2.92889e-10% change)
- iteration 14: trace = 18.62908769486296 (5.15293e-11% change)
-Finished solving for bands 1 to 8 after 14 iterations.
+ linmin: converged after 3 iterations.
+ iteration 13: trace = 18.62908769486412 (3.38182e-10% change)
+ linmin: converged after 3 iterations.
+ switching to approximate line minimization (decrease time by 70.7635%)
+ iteration 14: trace = 18.6290876949044 (2.16225e-10% change)
+ iteration 15: trace = 18.62908769489695 (4.00105e-11% change)
+Finished solving for bands 1 to 8 after 15 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: 0.0020880699157714844
-total elapsed time for run: 0.0023620128631591797
+elapsed time for k point: 0.05417323112487793
+total elapsed time for run: 0.05536985397338867
done
-Fixing h-field (band 8) phase by 0.909549 + -0.415598i; max ampl. = 1.96664
-.Outputting fields to /tmp/meepFBAM2J/test_bragg-0-h.k01.b08.y.tm.h5...
-/tmp/meepFBAM2J/test_bragg-0: 0.01s
+Fixing h-field (band 8) phase by 0.909549 + -0.415597i; max ampl. = 1.96664
+.Outputting fields to /tmp/meepYM7cP9/test_bragg-0-h.k01.b08.y.tm.h5...
+/tmp/meepYM7cP9/test_bragg-0: 0.43s
-/tmp/meepFBAM2J/test_bragg_sine-0
+/tmp/meepYM7cP9/test_bragg_sine-0
========================
Initializing eigensolver data
Computing 8 bands with 1e-12 tolerance
@@ -6300,7 +6341,7 @@
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: 0.003334522247314453
+elapsed time for initialization: 0.09836316108703613
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...
@@ -6316,463 +6357,391 @@
linmin: converged after 6 iterations.
iteration 5: trace = 11.08297661618325 (0.0540165% change)
linmin: converged after 6 iterations.
+ switching to approximate line minimization (decrease time by 68.8073%)
iteration 6: trace = 11.08249596623342 (0.00433692% change)
- linmin: converged after 8 iterations.
- switching to approximate line minimization (decrease time by 56.5217%)
- iteration 7: trace = 11.08219937792932 (0.00267622% change)
- iteration 8: trace = 11.080392850722 (0.0163025% change)
- iteration 9: trace = 11.07371100354852 (0.0603215% change)
- iteration 10: trace = 11.07251024800463 (0.0108439% change)
- iteration 11: trace = 11.07220229832265 (0.00278125% change)
- iteration 12: trace = 11.07213750357019 (0.000585204% change)
- iteration 13: trace = 11.07212372583534 (0.000124436% change)
- iteration 14: trace = 11.07210662375196 (0.000154461% change)
- iteration 15: trace = 11.07200618513988 (0.000907136% change)
- iteration 16: trace = 11.07178853906114 (0.00196575% change)
- iteration 17: trace = 11.07169462080939 (0.00084827% change)
- iteration 18: trace = 11.07167952477866 (0.000136348% change)
- iteration 19: trace = 11.07167805420032 (1.32823e-05% change)
- iteration 20: trace = 11.07167785750308 (1.77658e-06% change)
- iteration 21: trace = 11.07167775260546 (9.47441e-07% change)
- iteration 22: trace = 11.07167747653739 (2.49346e-06% change)
- iteration 23: trace = 11.07167663022426 (7.64395e-06% change)
- iteration 24: trace = 11.07167507867053 (1.40137e-05% change)
- iteration 25: trace = 11.07167457522155 (4.54718e-06% change)
- iteration 26: trace = 11.07167454094441 (3.09593e-07% change)
- iteration 27: trace = 11.07167453787443 (2.77283e-08% change)
- iteration 28: trace = 11.07167453688923 (8.89838e-09% change)
- iteration 29: trace = 11.07167453601795 (7.86945e-09% change)
- iteration 30: trace = 11.07167453215181 (3.49192e-08% change)
- iteration 31: trace = 11.07167452172307 (9.41929e-08% change)
- iteration 32: trace = 11.07167451533867 (5.76643e-08% change)
- iteration 33: trace = 11.07167451387419 (1.32272e-08% change)
- iteration 34: trace = 11.07167451369528 (1.61595e-09% change)
- iteration 35: trace = 11.07167451368281 (1.1263e-10% change)
- iteration 36: trace = 11.07167451367712 (5.14055e-11% change)
-Finished solving for bands 2 to 8 after 36 iterations.
+ iteration 7: trace = 11.08219937825523 (0.00267622% change)
+ iteration 8: trace = 11.08039358543769 (0.0162959% change)
+ iteration 9: trace = 11.07371378641714 (0.060303% change)
+ iteration 10: trace = 11.07251001195336 (0.0108711% change)
+ iteration 11: trace = 11.07220213988643 (0.00278055% change)
+ iteration 12: trace = 11.0721370410847 (0.00058795% change)
+ iteration 13: trace = 11.07212327454404 (0.000124335% change)
+ iteration 14: trace = 11.07210625738671 (0.000153694% change)
+ iteration 15: trace = 11.0720067600361 (0.000898635% change)
+ iteration 16: trace = 11.07178884998929 (0.00196814% change)
+ iteration 17: trace = 11.07169482176479 (0.000849263% change)
+ iteration 18: trace = 11.07167953359295 (0.000138083% change)
+ iteration 19: trace = 11.07167804541289 (1.34413e-05% change)
+ iteration 20: trace = 11.07167784706736 (1.79147e-06% change)
+ iteration 21: trace = 11.07167774270743 (9.42585e-07% change)
+ iteration 22: trace = 11.07167747196109 (2.4454e-06% change)
+ iteration 23: trace = 11.0716766361234 (7.54933e-06% change)
+ iteration 24: trace = 11.07167509295639 (1.3938e-05% change)
+ iteration 25: trace = 11.07167457646363 (4.66499e-06% change)
+ iteration 26: trace = 11.07167454089923 (3.2122e-07% change)
+ iteration 27: trace = 11.07167453778178 (2.8157e-08% change)
+ iteration 28: trace = 11.07167453678993 (8.95845e-09% change)
+ iteration 29: trace = 11.0716745359257 (7.8058e-09% change)
+ iteration 30: trace = 11.07167453217439 (3.38821e-08% change)
+ iteration 31: trace = 11.07167452165328 (9.50272e-08% change)
+ iteration 32: trace = 11.07167451525155 (5.78208e-08% change)
+ iteration 33: trace = 11.07167451380846 (1.30341e-08% change)
+ iteration 34: trace = 11.07167451363771 (1.54226e-09% change)
+ iteration 35: trace = 11.07167451362768 (9.06174e-11% change)
+Finished solving for bands 2 to 8 after 35 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: 0.003576517105102539
+elapsed time for k point: 0.05685997009277344
solve_kpoint (0.05,0,0):
Solving for bands 1 to 8...
- linmin: converged after 7 iterations.
- iteration 1: trace = 11.04206517571945 (0.320463% change)
linmin: converged after 9 iterations.
- switching to approximate line minimization (decrease time by 53.7037%)
- iteration 2: trace = 11.02780279959338 (0.129247% change)
- iteration 3: trace = 11.02771393517148 (0.000805825% change)
+ iteration 1: trace = 11.04206453968148 (0.320454% change)
+ linmin: converged after 14 iterations.
+ switching to approximate line minimization (decrease time by 63.1169%)
+ iteration 2: trace = 11.02780183941199 (0.12925% change)
switching back to exact line minimization
- large trace change predicted (0.0933476%)
- linmin: converged after 10 iterations.
- iteration 4: trace = 11.0180770514757 (0.0874261% change)
- linmin: converged after 6 iterations.
- iteration 5: trace = 11.01665354727847 (0.0129206% change)
- linmin: converged after 7 iterations.
- iteration 6: trace = 11.01541286571021 (0.0112625% change)
- linmin: converged after 7 iterations.
- iteration 7: trace = 11.01434823584341 (0.00966538% change)
- linmin: converged after 6 iterations.
- iteration 8: trace = 11.01353518814911 (0.00738199% change)
- linmin: converged after 6 iterations.
- iteration 9: trace = 11.01298187990253 (0.00502402% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 11.01261166456619 (0.00336168% change)
+ iteration 3: trace = 11.02771300085358 (0.00080559% change)
+ large trace change predicted (0.0517298%)
+ linmin: converged after 15 iterations.
+ switching to approximate line minimization (decrease time by 65.1613%)
+ iteration 4: trace = 11.01807571324773 (0.0874297% change)
+ iteration 5: trace = 11.01757273186041 (0.00456516% change)
+ iteration 6: trace = 11.01365428178883 (0.0355718% change)
+ iteration 7: trace = 11.0112335301989 (0.021982% change)
+ iteration 8: trace = 11.00913660704941 (0.0190453% change)
+ iteration 9: trace = 11.00802932323721 (0.0100584% change)
+ iteration 10: trace = 11.0075091209745 (0.00472577% change)
+ iteration 11: trace = 11.00723564583363 (0.00248447% change)
+ iteration 12: trace = 11.00705433536674 (0.00164721% change)
+ iteration 13: trace = 11.00691869950401 (0.00123227% change)
+ iteration 14: trace = 11.00681095561962 (0.000978879% change)
+ iteration 15: trace = 11.00672184845883 (0.000809567% change)
+ iteration 16: trace = 11.00664570829443 (0.000691763% change)
+ iteration 17: trace = 11.00657875705912 (0.000608282% change)
+ iteration 18: trace = 11.00651831417391 (0.000549154% change)
+ iteration 19: trace = 11.00646236272277 (0.00050835% change)
+ iteration 20: trace = 11.00640929199204 (0.000482179% change)
+ iteration 21: trace = 11.00635773446358 (0.000468433% change)
+ iteration 22: trace = 11.00630645687549 (0.000465892% change)
+ iteration 23: trace = 11.00625428495951 (0.00047402% change)
+ iteration 24: trace = 11.00620004876259 (0.000492777% change)
+ iteration 25: trace = 11.00614254509975 (0.000522467% change)
+ iteration 26: trace = 11.00608051440121 (0.000563602% change)
+ iteration 27: trace = 11.00601263372094 (0.000616758% change)
+ iteration 28: trace = 11.00593752756422 (0.000682413% change)
+ iteration 29: trace = 11.00585379775965 (0.000760772% change)
+ iteration 30: trace = 11.00576007119822 (0.00085161% change)
+ iteration 31: trace = 11.00565506182207 (0.000954136% change)
+ iteration 32: trace = 11.00553764054838 (0.00106692% change)
+ iteration 33: trace = 11.00540690922061 (0.00118788% change)
+ iteration 34: trace = 11.00526227762733 (0.0013142% change)
+ iteration 35: trace = 11.00510354714411 (0.00144232% change)
+ iteration 36: trace = 11.00493100390553 (0.00156786% change)
+ switching back to exact line minimization
+ iteration 37: trace = 11.00474551673852 (0.00168551% change)
+ linmin: converged after 8 iterations.
+ switching to approximate line minimization (decrease time by 54.0193%)
+ iteration 38: trace = 11.00454771546015 (0.00179743% change)
+ iteration 39: trace = 11.00436920158432 (0.0016222% change)
+ iteration 40: trace = 11.00415890821709 (0.00191102% change)
+ iteration 41: trace = 11.00394413962241 (0.00195172% change)
+ iteration 42: trace = 11.00372859615298 (0.0019588% change)
+ iteration 43: trace = 11.00351619270492 (0.0019303% change)
+ iteration 44: trace = 11.00330946978709 (0.00187872% change)
+ iteration 45: trace = 11.0031101545423 (0.00181143% change)
+ iteration 46: trace = 11.00291920465243 (0.00173543% change)
+ iteration 47: trace = 11.00273697152258 (0.00165624% change)
+ switching back to exact line minimization
+ iteration 48: trace = 11.00256338972418 (0.00157764% change)
linmin: converged after 7 iterations.
- iteration 11: trace = 11.01235387426688 (0.00234089% change)
- linmin: converged after 6 iterations.
- iteration 12: trace = 11.01216515220463 (0.00171375% change)
- linmin: converged after 6 iterations.
- iteration 13: trace = 11.01202044355579 (0.00131409% change)
- linmin: converged after 5 iterations.
- iteration 14: trace = 11.01190490326328 (0.00104923% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 11.01180931248924 (0.000868071% change)
- linmin: converged after 5 iterations.
- iteration 16: trace = 11.01172766992424 (0.000741412% change)
- linmin: converged after 5 iterations.
- iteration 17: trace = 11.01165588562031 (0.000651892% change)
- linmin: converged after 5 iterations.
- iteration 18: trace = 11.01159104126458 (0.000588872% change)
- linmin: converged after 6 iterations.
- iteration 19: trace = 11.01153095105778 (0.000545701% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 11.01147389088471 (0.000518187% change)
- linmin: converged after 5 iterations.
- iteration 21: trace = 11.01141842314176 (0.000503728% change)
- linmin: converged after 5 iterations.
- iteration 22: trace = 11.011363279846 (0.000500784% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 11.01130728073259 (0.000508559% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 11.01124927568334 (0.000526779% change)
+ iteration 49: trace = 11.00239769309936 (0.00150599% change)
linmin: converged after 5 iterations.
- iteration 25: trace = 11.01118810420657 (0.000555538% change)
- linmin: converged after 5 iterations.
- iteration 26: trace = 11.01112256970498 (0.000595165% change)
+ iteration 50: trace = 11.00225666697838 (0.00128178% change)
linmin: converged after 6 iterations.
- iteration 27: trace = 11.01105142821515 (0.00064609% change)
- linmin: converged after 5 iterations.
- iteration 28: trace = 11.01097339242094 (0.000708707% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 11.01088715131547 (0.000783232% change)
+ iteration 51: trace = 11.00212161598597 (0.00122749% change)
linmin: converged after 5 iterations.
- iteration 30: trace = 11.0107914060294 (0.000869555% change)
+ iteration 52: trace = 11.00199233563315 (0.00117506% change)
linmin: converged after 6 iterations.
- iteration 31: trace = 11.0106849180708 (0.000967128% change)
+ iteration 53: trace = 11.00186858403133 (0.00112482% change)
linmin: converged after 6 iterations.
- iteration 32: trace = 11.01056656925716 (0.00107486% change)
+ iteration 54: trace = 11.001750187424 (0.00107616% change)
linmin: converged after 6 iterations.
- iteration 33: trace = 11.01043541364287 (0.00119119% change)
- linmin: converged after 6 iterations.
- iteration 34: trace = 11.01029074206602 (0.00131396% change)
- linmin: converged after 7 iterations.
- iteration 35: trace = 11.01013213672338 (0.00144053% change)
- linmin: converged after 7 iterations.
- iteration 36: trace = 11.00995953386277 (0.00156769% change)
- linmin: converged after 5 iterations.
- iteration 37: trace = 11.00977329311963 (0.00169158% change)
- linmin: converged after 5 iterations.
- iteration 38: trace = 11.00957423839051 (0.001808% change)
- linmin: converged after 6 iterations.
- iteration 39: trace = 11.00936387282796 (0.00191077% change)
- linmin: converged after 5 iterations.
- iteration 40: trace = 11.00914432759653 (0.00199419% change)
- linmin: converged after 6 iterations.
- iteration 41: trace = 11.0089183703355 (0.00205247% change)
- linmin: converged after 9 iterations.
- iteration 42: trace = 11.00868924182022 (0.00208132% change)
- linmin: converged after 5 iterations.
- iteration 43: trace = 11.00846045179156 (0.00207829% change)
- linmin: converged after 8 iterations.
- iteration 44: trace = 11.00823497316162 (0.00204825% change)
- linmin: converged after 6 iterations.
- iteration 45: trace = 11.00801560513369 (0.00199278% change)
- linmin: converged after 7 iterations.
- iteration 46: trace = 11.00780404143223 (0.00192192% change)
- linmin: converged after 8 iterations.
- iteration 47: trace = 11.00760148329401 (0.00184015% change)
+ iteration 55: trace = 11.00163697354434 (0.00102906% change)
linmin: converged after 7 iterations.
- iteration 48: trace = 11.0074082746179 (0.00175524% change)
- linmin: converged after 5 iterations.
- iteration 49: trace = 11.00722432784486 (0.00167113% change)
+ iteration 56: trace = 11.00152880557026 (0.000983204% change)
linmin: converged after 7 iterations.
- iteration 50: trace = 11.00704921934516 (0.00159086% change)
- linmin: converged after 6 iterations.
- iteration 51: trace = 11.00688244550208 (0.00151517% change)
- linmin: converged after 6 iterations.
- iteration 52: trace = 11.00672333233266 (0.00144559% change)
- linmin: converged after 6 iterations.
- iteration 53: trace = 11.00657129813051 (0.00138129% change)
- linmin: converged after 6 iterations.
- iteration 54: trace = 11.00642574585819 (0.00132242% change)
- linmin: converged after 6 iterations.
- iteration 55: trace = 11.00628616129125 (0.00126822% change)
- linmin: converged after 6 iterations.
- iteration 56: trace = 11.00615208952206 (0.00121815% change)
+ switching to approximate line minimization (decrease time by 51.0504%)
+ iteration 57: trace = 11.00142556614113 (0.000938414% change)
+ iteration 58: trace = 11.00132728007372 (0.000893398% change)
+ iteration 59: trace = 11.00122658638077 (0.000915291% change)
+ iteration 60: trace = 11.00113094819547 (0.000869345% change)
+ iteration 61: trace = 11.00104042131535 (0.00082289% change)
+ iteration 62: trace = 11.00095493027376 (0.000777121% change)
+ iteration 63: trace = 11.00087426718924 (0.00073324% change)
+ iteration 64: trace = 11.00079819924363 (0.000691474% change)
+ iteration 65: trace = 11.00072647616621 (0.000651983% change)
+ iteration 66: trace = 11.00065883838247 (0.00061485% change)
+ iteration 67: trace = 11.0005950174115 (0.000580158% change)
+ iteration 68: trace = 11.00053474361738 (0.000547915% change)
+ iteration 69: trace = 11.00047774822372 (0.000518116% change)
+ resetting CG direction...
+ switching back to exact line minimization
+ large trace change predicted (2.26289%)
+ linmin: converged after 71 iterations.
+ iteration 70: trace = 11.00047774840803 (1.67553e-09% change)
+ large trace change predicted (0.0690639%)
linmin: converged after 7 iterations.
- iteration 57: trace = 11.0060231674577 (0.00117137% change)
+ iteration 71: trace = 10.9928533256438 (0.069334% change)
linmin: converged after 7 iterations.
- iteration 58: trace = 11.00589908318859 (0.00112743% change)
- linmin: converged after 5 iterations.
- iteration 59: trace = 11.00577957932565 (0.00108582% change)
- linmin: converged after 6 iterations.
- iteration 60: trace = 11.00566444576149 (0.00104612% change)
- linmin: converged after 5 iterations.
- iteration 61: trace = 11.00555350795941 (0.00100801% change)
+ iteration 72: trace = 10.9916041335376 (0.0113643% change)
linmin: converged after 7 iterations.
- iteration 62: trace = 11.00544661922243 (0.00097123% change)
+ iteration 73: trace = 10.99054334778603 (0.00965134% change)
linmin: converged after 5 iterations.
- iteration 63: trace = 11.00534365311074 (0.000935597% change)
- linmin: converged after 5 iterations.
- iteration 64: trace = 11.00524449516395 (0.000901002% change)
+ iteration 74: trace = 10.98869455971425 (0.016823% change)
linmin: converged after 7 iterations.
- iteration 65: trace = 11.00514903761223 (0.000867386% change)
+ iteration 75: trace = 10.98811603348879 (0.00526488% change)
+ linmin: converged after 9 iterations.
+ iteration 76: trace = 10.98804672365349 (0.000630773% change)
linmin: converged after 5 iterations.
- iteration 66: trace = 11.00505717735739 (0.000834706% change)
+ iteration 77: trace = 10.98803155225896 (0.000138072% change)
linmin: converged after 8 iterations.
- iteration 67: trace = 11.0049688034358 (0.000803033% change)
- linmin: converged after 5 iterations.
- iteration 68: trace = 11.00488380735937 (0.000772346% change)
- linmin: converged after 5 iterations.
- iteration 69: trace = 11.00480207443335 (0.0007427% change)
- resetting CG direction...
- large trace change predicted (0.115632%)
- linmin: converged after 6 iterations.
- iteration 70: trace = 10.99201754160869 (0.11624% change)
- linmin: converged after 6 iterations.
- iteration 71: trace = 10.99061975130357 (0.0127172% change)
- linmin: converged after 5 iterations.
- iteration 72: trace = 10.98948395851989 (0.0103347% change)
- linmin: converged after 7 iterations.
- iteration 73: trace = 10.98818699095862 (0.0118026% change)
- linmin: converged after 11 iterations.
- iteration 74: trace = 10.98802561718052 (0.00146862% change)
- linmin: converged after 5 iterations.
- iteration 75: trace = 10.98801515922397 (9.5176e-05% change)
+ iteration 78: trace = 10.98802753580862 (3.6553e-05% change)
+ linmin: converged after 4 iterations.
+ iteration 79: trace = 10.98802383074246 (3.37191e-05% change)
linmin: converged after 6 iterations.
- iteration 76: trace = 10.98801412710668 (9.39312e-06% change)
+ iteration 80: trace = 10.98801739527572 (5.8568e-05% change)
linmin: converged after 4 iterations.
- iteration 77: trace = 10.9880140963487 (2.79923e-07% change)
- linmin: converged after 3 iterations.
- iteration 78: trace = 10.9880140931361 (2.92373e-08% change)
- linmin: converged after 5 iterations.
- iteration 79: trace = 10.98801409314922 (1.19437e-10% change)
- large trace change predicted (5.39425e-10%)
- linmin: converged after 3 iterations.
- iteration 80: trace = 10.98801409312087 (2.58079e-10% change)
- large trace change predicted (7.16165e-10%)
- linmin: converged after 3 iterations.
- iteration 81: trace = 10.98801409307904 (3.80652e-10% change)
+ iteration 81: trace = 10.98801478407598 (2.37641e-05% change)
linmin: converged after 4 iterations.
- iteration 82: trace = 10.9880140930625 (1.50557e-10% change)
- linmin: converged after 3 iterations.
- iteration 83: trace = 10.98801409297193 (8.24272e-10% change)
+ iteration 82: trace = 10.98801425714043 (4.79555e-06% change)
+ linmin: converged after 13 iterations.
+ iteration 83: trace = 10.98801415897268 (8.93408e-07% change)
linmin: converged after 3 iterations.
- iteration 84: trace = 10.98801409292646 (4.13793e-10% change)
- linmin: converged after 10 iterations.
- iteration 85: trace = 10.98801409301239 (7.82062e-10% change)
+ iteration 84: trace = 10.98801414139509 (1.59971e-07% change)
linmin: converged after 4 iterations.
- iteration 86: trace = 10.98801409290933 (9.37953e-10% change)
+ iteration 85: trace = 10.98801413048567 (9.92848e-08% change)
+ large trace change predicted (2.06207e-07%)
linmin: converged after 4 iterations.
- iteration 87: trace = 10.98801409288131 (2.54991e-10% change)
+ iteration 86: trace = 10.98801410787532 (2.05773e-07% change)
linmin: converged after 5 iterations.
- iteration 88: trace = 10.98801409291042 (2.64901e-10% change)
+ iteration 87: trace = 10.98801409708326 (9.82167e-08% change)
+ linmin: converged after 3 iterations.
+ iteration 88: trace = 10.98801409375671 (3.02743e-08% change)
linmin: converged after 4 iterations.
- iteration 89: trace = 10.98801409287826 (2.92707e-10% change)
+ iteration 89: trace = 10.98801409324814 (4.62842e-09% change)
linmin: converged after 5 iterations.
- iteration 90: trace = 10.98801409291454 (3.30213e-10% change)
- linmin: converged after 4 iterations.
- iteration 91: trace = 10.98801409295369 (3.56306e-10% change)
- linmin: converged after 36 iterations.
- iteration 92: trace = 10.98801409307939 (1.14399e-09% change)
- linmin: converged after 4 iterations.
- iteration 93: trace = 10.98801409310837 (2.63705e-10% change)
- linmin: converged after 6 iterations.
- iteration 94: trace = 10.98801409306274 (4.15248e-10% change)
- linmin: converged after 6 iterations.
- iteration 95: trace = 10.98801409297453 (8.02787e-10% change)
- linmin: converged after 4 iterations.
- iteration 96: trace = 10.98801409293285 (3.79359e-10% change)
- linmin: converged after 4 iterations.
- iteration 97: trace = 10.98801409293285 (0% change)
-Finished solving for bands 1 to 8 after 97 iterations.
+ iteration 90: trace = 10.98801409306602 (1.65737e-09% change)
+ linmin: converged after 3 iterations.
+ iteration 91: trace = 10.98801409307204 (5.47715e-11% change)
+Finished solving for bands 1 to 8 after 91 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: 0.015934228897094727
+elapsed time for k point: 0.20479202270507812
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 3 iterations.
- iteration 1: trace = 10.9037604689753 (0.00793522% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 10.90359830953052 (0.0014872% change)
- linmin: converged after 11 iterations.
- switching to approximate line minimization (decrease time by 57.2222%)
- iteration 3: trace = 10.90350960476494 (0.00081354% change)
- iteration 4: trace = 10.90345231130984 (0.00052546% change)
- iteration 5: trace = 10.90344655642725 (5.27804e-05% change)
- iteration 6: trace = 10.90344608673124 (4.30778e-06% change)
- iteration 7: trace = 10.90344605028353 (3.34277e-07% change)
- iteration 8: trace = 10.9034460484781 (1.65583e-08% change)
- iteration 9: trace = 10.90344604785685 (5.69775e-09% change)
- iteration 10: trace = 10.90344604734796 (4.66725e-09% change)
- iteration 11: trace = 10.90344604730576 (3.86993e-10% change)
- iteration 12: trace = 10.90344604730431 (1.33103e-11% change)
+ switching to approximate line minimization (decrease time by 63.1707%)
+ iteration 1: trace = 10.90376010092897 (0.00793312% change)
+ iteration 2: trace = 10.90359839014423 (0.00148308% change)
+ iteration 3: trace = 10.90350976061277 (0.00081285% change)
+ iteration 4: trace = 10.90345236894227 (0.000526361% change)
+ iteration 5: trace = 10.90344657542449 (5.31347e-05% change)
+ iteration 6: trace = 10.90344609592351 (4.3977e-06% change)
+ iteration 7: trace = 10.90344605641847 (3.62317e-07% change)
+ iteration 8: trace = 10.90344605253121 (3.56517e-08% change)
+ iteration 9: trace = 10.90344604856776 (3.63504e-08% change)
+ iteration 10: trace = 10.90344604736138 (1.10642e-08% change)
+ iteration 11: trace = 10.90344604730769 (4.92466e-10% change)
+ iteration 12: trace = 10.90344604730487 (2.58386e-11% change)
Finished solving for bands 1 to 8 after 12 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: 0.0014896392822265625
+elapsed time for k point: 0.033095598220825195
solve_kpoint (0.15,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
- iteration 1: trace = 10.82874319248099 (0.00713652% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 10.82865179318098 (0.000844047% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 10.82863914684248 (0.000116786% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 10.82863201438445 (6.58666e-05% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 10.82863047384864 (1.42265e-05% change)
- linmin: converged after 2 iterations.
- iteration 6: trace = 10.82863033630221 (1.27021e-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 (1.35532e-10% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 10.82863032375297 (2.98558e-12% change)
-Finished solving for bands 1 to 8 after 10 iterations.
+ switching to approximate line minimization (decrease time by 64.5833%)
+ iteration 1: trace = 10.82874319845828 (0.00713667% change)
+ iteration 2: trace = 10.82865181757506 (0.000843877% change)
+ iteration 3: trace = 10.82863915209735 (0.000116963% change)
+ iteration 4: trace = 10.82863201847331 (6.58774e-05% change)
+ iteration 5: trace = 10.82863047565258 (1.42476e-05% change)
+ iteration 6: trace = 10.82863033669786 (1.28322e-06% change)
+ iteration 7: trace = 10.82863032444757 (1.13129e-07% change)
+ iteration 8: trace = 10.82863032387197 (5.31552e-09% change)
+ iteration 9: trace = 10.82863032380566 (6.12387e-10% change)
+ iteration 10: trace = 10.82863032375878 (4.32876e-10% change)
+ iteration 11: trace = 10.82863032375313 (5.21984e-11% change)
+Finished solving for bands 1 to 8 after 11 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: 0.001608133316040039
+elapsed time for k point: 0.03289532661437988
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
- iteration 1: trace = 10.76383414066029 (0.00702665% change)
+ iteration 1: trace = 10.76383414136122 (0.00702671% change)
linmin: converged after 4 iterations.
- iteration 2: trace = 10.76375283235572 (0.000755387% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 10.76374658323257 (5.80571e-05% change)
+ iteration 2: trace = 10.76375283233743 (0.000755394% change)
linmin: converged after 4 iterations.
- iteration 4: trace = 10.76374528581931 (1.20535e-05% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 10.76374486740369 (3.88727e-06% change)
+ iteration 3: trace = 10.76374658320918 (5.80572e-05% change)
+ linmin: converged after 4 iterations.
+ iteration 4: trace = 10.76374528581612 (1.20534e-05% change)
+ linmin: converged after 4 iterations.
+ iteration 5: trace = 10.76374486740383 (3.88724e-06% change)
linmin: converged after 2 iterations.
- iteration 6: trace = 10.76374482182858 (4.23413e-07% change)
+ iteration 6: trace = 10.76374482182855 (4.23415e-07% change)
linmin: converged after 2 iterations.
- iteration 7: trace = 10.76374481723281 (4.26968e-08% change)
+ iteration 7: trace = 10.76374481723281 (4.26965e-08% change)
linmin: converged after 2 iterations.
iteration 8: trace = 10.76374481699878 (2.17426e-09% change)
linmin: converged after 2 iterations.
- iteration 9: trace = 10.76374481699274 (5.61107e-11% change)
+ iteration 9: trace = 10.76374481699274 (5.61272e-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: 0.0014677047729492188
+elapsed time for k point: 0.003470897674560547
solve_kpoint (0.25,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
- iteration 1: trace = 10.70890918978468 (0.00701169% change)
+ iteration 1: trace = 10.7089091897821 (0.00701169% change)
linmin: converged after 4 iterations.
- iteration 2: trace = 10.70883098425318 (0.000730287% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 10.70882611989464 (4.54238e-05% change)
+ iteration 2: trace = 10.70883098425238 (0.000730287% change)
+ linmin: converged after 6 iterations.
+ iteration 3: trace = 10.70882611989432 (4.54238e-05% change)
linmin: converged after 2 iterations.
- iteration 4: trace = 10.70882574797975 (3.47298e-06% change)
+ iteration 4: trace = 10.70882574797966 (3.47297e-06% change)
linmin: converged after 2 iterations.
- iteration 5: trace = 10.70882564389909 (9.71915e-07% change)
+ 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 = 10.70882562792912 (1.54008e-08% change)
linmin: converged after 2 iterations.
- iteration 8: trace = 10.70882562781417 (1.07346e-09% change)
+ iteration 8: trace = 10.70882562781417 (1.07343e-09% change)
linmin: converged after 2 iterations.
- iteration 9: trace = 10.70882562781128 (2.69883e-11% change)
+ switching to approximate line minimization (decrease time by 52.6144%)
+ iteration 9: trace = 10.70882562781128 (2.70215e-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: 0.0014226436614990234
+elapsed time for k point: 0.007431507110595703
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 5 iterations.
+ linmin: converged after 6 iterations.
iteration 3: trace = 10.66388515749335 (4.13254e-05% change)
linmin: converged after 2 iterations.
- iteration 4: trace = 10.6638849780741 (1.68249e-06% change)
+ iteration 4: trace = 10.66388497807411 (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 = 10.66388494718303 (4.10244e-09% change)
+ iteration 7: trace = 10.66388494718304 (4.10242e-09% change)
linmin: converged after 2 iterations.
- iteration 8: trace = 10.66388494713199 (4.78692e-10% change)
+ iteration 8: trace = 10.66388494713198 (4.78742e-10% change)
linmin: converged after 2 iterations.
- iteration 9: trace = 10.66388494713049 (1.40424e-11% change)
+ 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: 0.0014011859893798828
+elapsed time for k point: 0.007302284240722656
solve_kpoint (0.35,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 10.62900860023463 (0.00703179% change)
linmin: converged after 4 iterations.
- iteration 2: trace = 10.6289323953069 (0.000716955% change)
+ iteration 2: trace = 10.62893239530691 (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 (8.71057e-08% change)
+ iteration 5: trace = 10.62892804707553 (8.71056e-08% change)
linmin: converged after 2 iterations.
- iteration 6: trace = 10.62892804604186 (9.72507e-09% change)
+ iteration 6: trace = 10.62892804604186 (9.72512e-09% change)
linmin: converged after 2 iterations.
- iteration 7: trace = 10.62892804597542 (6.2508e-10% change)
+ iteration 7: trace = 10.62892804597542 (6.25047e-10% change)
linmin: converged after 2 iterations.
- iteration 8: trace = 10.62892804596423 (1.05272e-10% change)
+ iteration 8: trace = 10.62892804596423 (1.05289e-10% change)
linmin: converged after 2 iterations.
- iteration 9: trace = 10.62892804596352 (6.73513e-12% change)
+ iteration 9: trace = 10.62892804596352 (6.71841e-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: 0.001399993896484375
+elapsed time for k point: 0.0031709671020507812
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 11 iterations.
- switching to approximate line minimization (decrease time by 58.7209%)
+ linmin: converged after 4 iterations.
iteration 2: trace = 10.60396176516587 (0.000715115% change)
- iteration 3: trace = 10.60395764730977 (3.88332e-05% change)
- iteration 4: trace = 10.60395754101102 (1.00244e-06% change)
- iteration 5: trace = 10.60395753615697 (4.57758e-08% change)
- iteration 6: trace = 10.60395753572879 (4.03794e-09% change)
- iteration 7: trace = 10.60395753570917 (1.85057e-10% 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 (1.85041e-10% change)
+ linmin: converged after 2 iterations.
iteration 8: trace = 10.6039575357088 (3.46763e-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: 0.0010957717895507812
+elapsed time for k point: 0.0030066967010498047
solve_kpoint (0.45,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
- iteration 1: trace = 10.58905458874334 (0.00704958% change)
+ iteration 1: trace = 10.58905458874505 (0.00704958% change)
linmin: converged after 4 iterations.
- iteration 2: trace = 10.58897895638349 (0.000714253% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 10.58897488550179 (3.84445e-05% change)
- linmin: converged after 2 iterations.
- iteration 4: trace = 10.58897478737543 (9.26684e-07% change)
- linmin: converged after 2 iterations.
- iteration 5: trace = 10.58897478401991 (3.16889e-08% change)
- linmin: converged after 2 iterations.
- iteration 6: trace = 10.58897478378886 (2.18196e-09% change)
- linmin: converged after 2 iterations.
+ switching to approximate line minimization (decrease time by 56.3025%)
+ iteration 2: trace = 10.58897895638372 (0.000714253% change)
+ iteration 3: trace = 10.58897488550218 (3.84445e-05% change)
+ iteration 4: trace = 10.5889747873755 (9.26687e-07% change)
+ iteration 5: trace = 10.58897478401992 (3.16894e-08% change)
+ iteration 6: trace = 10.58897478378886 (2.18209e-09% change)
iteration 7: trace = 10.58897478377235 (1.55945e-10% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 10.58897478377203 (2.93572e-12% change)
+ 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: 0.00127410888671875
+elapsed time for k point: 0.01150965690612793
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
- iteration 1: trace = 10.58406017889885 (0.00705116% change)
+ iteration 1: trace = 10.58406017889665 (0.00705116% change)
linmin: converged after 4 iterations.
- iteration 2: trace = 10.58398461985988 (0.000713897% change)
+ iteration 2: trace = 10.58398461985964 (0.000713897% change)
linmin: converged after 5 iterations.
+ switching to approximate line minimization (decrease time by 54.6584%)
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)
+ switching back to exact line minimization
+ iteration 6: trace = 10.58398046493152 (1.56376e-09% change)
linmin: converged after 2 iterations.
- iteration 6: trace = 10.58398046493152 (1.56375e-09% change)
- linmin: converged after 2 iterations.
- iteration 7: trace = 10.58398046491724 (1.34922e-10% change)
+ iteration 7: trace = 10.58398046491725 (1.34905e-10% change)
linmin: converged after 1 iterations.
- iteration 8: trace = 10.58398046491709 (1.49373e-12% change)
+ iteration 8: trace = 10.58398046491708 (1.52729e-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: 0.001260519027709961
-Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.19477466366820315 at Vector3<0.5, 0.0, 0.0>
-Band 2 range: 0.3064030262308451 at Vector3<0.5, 0.0, 0.0> to 0.46877485258677126 at Vector3<0.0, 0.0, 0.0>
-Band 3 range: 0.5466257501319671 at Vector3<0.0, 0.0, 0.0> to 0.7316504426541647 at Vector3<0.5, 0.0, 0.0>
-Band 4 range: 0.7842615905093817 at Vector3<0.5, 0.0, 0.0> to 0.9893486155437279 at Vector3<0.0, 0.0, 0.0>
-Band 5 range: 1.0240548648147756 at Vector3<0.0, 0.0, 0.0> to 1.2440980042025898 at Vector3<0.5, 0.0, 0.0>
-Band 6 range: 1.266656686185508 at Vector3<0.5, 0.0, 0.0> to 1.4970379696969367 at Vector3<0.0, 0.0, 0.0>
-Band 7 range: 1.5115800994651423 at Vector3<0.0, 0.0, 0.0> to 1.7488359039910522 at Vector3<0.5, 0.0, 0.0>
-Band 8 range: 1.7581683208483643 at Vector3<0.5, 0.0, 0.0> to 1.9999072007239114 at Vector3<0.0, 0.0, 0.0>
-Gap from band 1 (0.19477466366820315) to band 2 (0.3064030262308451), 44.546421284286275%
-Gap from band 2 (0.46877485258677126) to band 3 (0.5466257501319671), 15.334026262491836%
-Gap from band 3 (0.7316504426541647) to band 4 (0.7842615905093817), 6.941187444158379%
-Gap from band 4 (0.9893486155437279) to band 5 (1.0240548648147756), 3.4475205401818383%
-Gap from band 5 (1.2440980042025898) to band 6 (1.266656686185508), 1.7969642410132252%
-Gap from band 6 (1.4970379696969367) to band 7 (1.5115800994651423), 0.9666982936292511%
-Gap from band 7 (1.7488359039910522) to band 8 (1.7581683208483643), 0.5322158890606666%
-total elapsed time for run: 0.03560376167297363
+.elapsed time for k point: 0.002481222152709961
+Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.19477466366820304 at Vector3<0.5, 0.0, 0.0>
+Band 2 range: 0.3064030262308443 at Vector3<0.5, 0.0, 0.0> to 0.46877485258665363 at Vector3<0.0, 0.0, 0.0>
+Band 3 range: 0.5466257501315076 at Vector3<0.0, 0.0, 0.0> to 0.7316504426541638 at Vector3<0.5, 0.0, 0.0>
+Band 4 range: 0.7842615905093807 at Vector3<0.5, 0.0, 0.0> to 0.9893486155436902 at Vector3<0.0, 0.0, 0.0>
+Band 5 range: 1.024054864814716 at Vector3<0.0, 0.0, 0.0> to 1.2440980042025869 at Vector3<0.5, 0.0, 0.0>
+Band 6 range: 1.266656686185507 at Vector3<0.5, 0.0, 0.0> to 1.4970379696967027 at Vector3<0.0, 0.0, 0.0>
+Band 7 range: 1.5115800994651107 at Vector3<0.0, 0.0, 0.0> to 1.7488359039910497 at Vector3<0.5, 0.0, 0.0>
+Band 8 range: 1.7581683208483638 at Vector3<0.5, 0.0, 0.0> to 1.999907200712497 at Vector3<0.0, 0.0, 0.0>
+Gap from band 1 (0.19477466366820304) to band 2 (0.3064030262308443), 44.54642128428609%
+Gap from band 2 (0.46877485258665363) to band 3 (0.5466257501315076), 15.334026262433209%
+Gap from band 3 (0.7316504426541638) to band 4 (0.7842615905093807), 6.941187444158372%
+Gap from band 4 (0.9893486155436902) to band 5 (1.024054864814716), 3.4475205401798323%
+Gap from band 5 (1.2440980042025869) to band 6 (1.266656686185507), 1.7969642410133873%
+Gap from band 6 (1.4970379696967027) to band 7 (1.5115800994651107), 0.966698293642798%
+Gap from band 7 (1.7488359039910497) to band 8 (1.7581683208483638), 0.532215889060781%
+total elapsed time for run: 0.4706714153289795
done
-/tmp/meepFBAM2J/test_bragg_sine-0: 0.04s
+/tmp/meepYM7cP9/test_bragg_sine-0: 0.49s
-/tmp/meepFBAM2J/test_compute_field_energy-0
+/tmp/meepYM7cP9/test_compute_field_energy-0
========================
Initializing eigensolver data
Computing 8 bands with 1e-12 tolerance
@@ -6815,7 +6784,7 @@
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: 0.00165557861328125
+elapsed time for initialization: 0.01233816146850586
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...
@@ -6926,7 +6895,7 @@
iteration 52: trace = 5.548117725324876 (4.74496e-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: 0.14252042770385742
+elapsed time for k point: 2.129030466079712
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -7177,7 +7146,7 @@
iteration 121: trace = 5.540497242579415 (3.78965e-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: 0.43862104415893555
+elapsed time for k point: 9.646563291549683
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -7234,7 +7203,7 @@
iteration 26: trace = 5.499374946276072 (6.76061e-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: 0.09358334541320801
+elapsed time for k point: 1.3842582702636719
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -7287,7 +7256,7 @@
iteration 24: trace = 5.485459080087868 (6.14144e-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: 0.08686447143554688
+elapsed time for k point: 1.2986199855804443
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -7348,7 +7317,7 @@
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: 0.10115575790405273
+elapsed time for k point: 0.7573120594024658
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -7441,7 +7410,7 @@
iteration 44: trace = 5.538866868553965 (9.66452e-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: 0.15643000602722168
+elapsed time for k point: 2.3032517433166504
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -7512,7 +7481,7 @@
iteration 33: trace = 5.419797732958394 (9.1099e-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: 0.11791586875915527
+elapsed time for k point: 2.3107168674468994
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -7573,7 +7542,7 @@
iteration 28: trace = 5.240853948733916 (3.69619e-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: 0.10086846351623535
+elapsed time for k point: 1.9834604263305664
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -7626,7 +7595,7 @@
iteration 24: trace = 5.09654427341062 (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: 0.08663654327392578
+elapsed time for k point: 1.425734281539917
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -7678,7 +7647,7 @@
iteration 23: trace = 5.006436496341392 (6.08684e-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: 0.08432149887084961
+elapsed time for k point: 1.3707375526428223
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -7730,7 +7699,7 @@
iteration 23: trace = 4.975984265381787 (5.44582e-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: 0.08300995826721191
+elapsed time for k point: 1.205918312072754
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -7771,7 +7740,7 @@
iteration 18: trace = 5.036378479895265 (5.47222e-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: 0.06568264961242676
+elapsed time for k point: 1.021543025970459
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -7818,7 +7787,7 @@
iteration 21: trace = 5.206566305891685 (3.93717e-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: 0.07610464096069336
+elapsed time for k point: 1.1438398361206055
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -7881,7 +7850,7 @@
iteration 29: trace = 5.417088766409226 (6.14845e-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: 0.1041417121887207
+elapsed time for k point: 1.3204009532928467
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -7954,7 +7923,7 @@
iteration 34: trace = 5.522267645664736 (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: 0.12189626693725586
+elapsed time for k point: 1.2770380973815918
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 5 iterations.
@@ -8149,7 +8118,7 @@
iteration 93: trace = 5.548117725324989 (3.6948e-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: 0.2521073818206787
+elapsed time for k point: 1.02024245262146
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0>
Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0>
@@ -8161,13 +8130,13 @@
Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383%
Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081%
Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186%
-total elapsed time for run: 2.1149768829345703
+total elapsed time for run: 31.643897771835327
done
Fixing h-field (band 8) phase by -1 + 2.61271e-07i; max ampl. = 4.48388
D-energy-components:, 16, 8, 0.499991, 0.500009, 0
-./tmp/meepFBAM2J/test_compute_field_energy-0: 2.12s
+./tmp/meepYM7cP9/test_compute_field_energy-0: 31.67s
-/tmp/meepFBAM2J/test_compute_group_velocity-0
+/tmp/meepYM7cP9/test_compute_group_velocity-0
========================
Initializing eigensolver data
Computing 8 bands with 1e-12 tolerance
@@ -8210,7 +8179,7 @@
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: 0.0015666484832763672
+elapsed time for initialization: 0.012429952621459961
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...
@@ -8321,7 +8290,7 @@
iteration 52: trace = 5.548117725324876 (4.74496e-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: 0.14207863807678223
+elapsed time for k point: 0.8549776077270508
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -8572,7 +8541,7 @@
iteration 121: trace = 5.540497242579415 (3.78965e-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: 0.4276158809661865
+elapsed time for k point: 4.438878536224365
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -8629,7 +8598,7 @@
iteration 26: trace = 5.499374946276072 (6.76061e-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: 0.09370088577270508
+elapsed time for k point: 0.8408718109130859
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -8682,7 +8651,7 @@
iteration 24: trace = 5.485459080087868 (6.14144e-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: 0.08678150177001953
+elapsed time for k point: 1.061457633972168
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -8743,7 +8712,7 @@
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: 0.10112285614013672
+elapsed time for k point: 1.249284029006958
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -8836,7 +8805,7 @@
iteration 44: trace = 5.538866868553965 (9.66452e-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: 0.15671753883361816
+elapsed time for k point: 1.933985948562622
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -8907,7 +8876,7 @@
iteration 33: trace = 5.419797732958394 (9.1099e-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: 0.11805438995361328
+elapsed time for k point: 1.2681751251220703
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -8968,7 +8937,7 @@
iteration 28: trace = 5.240853948733916 (3.69619e-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: 0.10089421272277832
+elapsed time for k point: 1.0688607692718506
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -9021,7 +8990,7 @@
iteration 24: trace = 5.09654427341062 (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: 0.08663034439086914
+elapsed time for k point: 0.7947580814361572
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -9073,7 +9042,7 @@
iteration 23: trace = 5.006436496341392 (6.08684e-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: 0.08325529098510742
+elapsed time for k point: 0.5552585124969482
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -9125,7 +9094,7 @@
iteration 23: trace = 4.975984265381787 (5.44582e-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: 0.08301782608032227
+elapsed time for k point: 0.8350625038146973
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -9166,7 +9135,7 @@
iteration 18: trace = 5.036378479895265 (5.47222e-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: 0.06577277183532715
+elapsed time for k point: 0.754626989364624
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -9213,7 +9182,7 @@
iteration 21: trace = 5.206566305891685 (3.93717e-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: 0.07752370834350586
+elapsed time for k point: 0.7731056213378906
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -9276,7 +9245,7 @@
iteration 29: trace = 5.417088766409226 (6.14845e-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: 0.10425043106079102
+elapsed time for k point: 1.0200238227844238
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -9349,7 +9318,7 @@
iteration 34: trace = 5.522267645664736 (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: 0.12186264991760254
+elapsed time for k point: 0.5877995491027832
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 5 iterations.
@@ -9544,7 +9513,7 @@
iteration 93: trace = 5.548117725324989 (3.6948e-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: 0.25205469131469727
+.elapsed time for k point: 2.223787546157837
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0>
Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0>
@@ -9556,11 +9525,11 @@
Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383%
Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081%
Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186%
-total elapsed time for run: 2.1043541431427
+total elapsed time for run: 20.276565074920654
done
-/tmp/meepFBAM2J/test_compute_group_velocity-0: 2.11s
+/tmp/meepYM7cP9/test_compute_group_velocity-0: 20.29s
-/tmp/meepFBAM2J/test_compute_integrals-0
+/tmp/meepYM7cP9/test_compute_integrals-0
========================
Initializing eigensolver data
Computing 8 bands with 1e-12 tolerance
@@ -9603,7 +9572,7 @@
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: 0.0016412734985351562
+elapsed time for initialization: 0.01835799217224121
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...
@@ -9714,7 +9683,7 @@
iteration 52: trace = 5.548117725324876 (4.74496e-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: 0.14267992973327637
+elapsed time for k point: 1.2873408794403076
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -9965,7 +9934,7 @@
iteration 121: trace = 5.540497242579415 (3.78965e-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: 0.4285774230957031
+elapsed time for k point: 5.779906272888184
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -10022,7 +9991,7 @@
iteration 26: trace = 5.499374946276072 (6.76061e-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: 0.09406447410583496
+elapsed time for k point: 0.737501859664917
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -10075,7 +10044,7 @@
iteration 24: trace = 5.485459080087868 (6.14144e-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: 0.08750224113464355
+elapsed time for k point: 0.760944128036499
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -10136,7 +10105,7 @@
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: 0.10080623626708984
+elapsed time for k point: 0.7617201805114746
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -10229,7 +10198,7 @@
iteration 44: trace = 5.538866868553965 (9.66452e-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: 0.15682148933410645
+elapsed time for k point: 0.865443229675293
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -10300,7 +10269,7 @@
iteration 33: trace = 5.419797732958394 (9.1099e-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: 0.11831521987915039
+elapsed time for k point: 1.4545629024505615
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -10361,7 +10330,7 @@
iteration 28: trace = 5.240853948733916 (3.69619e-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: 0.10126876831054688
+elapsed time for k point: 1.077078104019165
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -10414,7 +10383,7 @@
iteration 24: trace = 5.09654427341062 (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: 0.0870964527130127
+elapsed time for k point: 1.1351864337921143
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -10466,7 +10435,7 @@
iteration 23: trace = 5.006436496341392 (6.08684e-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: 0.0839548110961914
+elapsed time for k point: 0.6590268611907959
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -10518,7 +10487,7 @@
iteration 23: trace = 4.975984265381787 (5.44582e-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: 0.08337759971618652
+elapsed time for k point: 0.6096739768981934
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -10559,7 +10528,7 @@
iteration 18: trace = 5.036378479895265 (5.47222e-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: 0.06594109535217285
+elapsed time for k point: 0.7453856468200684
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -10606,7 +10575,7 @@
iteration 21: trace = 5.206566305891685 (3.93717e-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: 0.07646489143371582
+elapsed time for k point: 0.953669548034668
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -10669,7 +10638,7 @@
iteration 29: trace = 5.417088766409226 (6.14845e-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: 0.10452628135681152
+elapsed time for k point: 1.1814427375793457
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -10742,7 +10711,7 @@
iteration 34: trace = 5.522267645664736 (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: 0.1221761703491211
+elapsed time for k point: 1.2957422733306885
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 5 iterations.
@@ -10937,7 +10906,7 @@
iteration 93: trace = 5.548117725324989 (3.6948e-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: 0.2519662380218506
+elapsed time for k point: 2.5931460857391357
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0>
Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0>
@@ -10949,14 +10918,14 @@
Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383%
Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081%
Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186%
-total elapsed time for run: 2.108715295791626
+total elapsed time for run: 21.935835123062134
done
Fixing h-field (band 8) phase by -1 + 2.61271e-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/meepFBAM2J/test_compute_integrals-0: 2.11s
+./tmp/meepYM7cP9/test_compute_integrals-0: 21.97s
-/tmp/meepFBAM2J/test_diamond-0
+/tmp/meepYM7cP9/test_diamond-0
========================
Initializing eigensolver data
Computing 5 bands with 1e-12 tolerance
@@ -11016,7 +10985,7 @@
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: 0.02442479133605957
+elapsed time for initialization: 0.2795538902282715
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...
@@ -11133,7 +11102,7 @@
iteration 54: trace = 1.074849137530236 (7.26549e-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: 0.408428430557251
+elapsed time for k point: 6.732161521911621
solve_kpoint (0,0.525,0.475):
Solving for bands 1 to 5...
linmin: converged after 5 iterations.
@@ -11207,7 +11176,7 @@
iteration 34: trace = 1.072165047038118 (4.90204e-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: 0.258709192276001
+elapsed time for k point: 4.9543046951293945
solve_kpoint (0,0.55,0.45):
Solving for bands 1 to 5...
linmin: converged after 5 iterations.
@@ -11272,7 +11241,7 @@
iteration 30: trace = 1.065499286544839 (4.35754e-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: 0.22834539413452148
+elapsed time for k point: 3.800631046295166
solve_kpoint (0,0.575,0.425):
Solving for bands 1 to 5...
linmin: converged after 5 iterations.
@@ -11335,7 +11304,7 @@
iteration 29: trace = 1.057289581654964 (3.32661e-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: 0.2204756736755371
+elapsed time for k point: 2.527355432510376
solve_kpoint (0,0.6,0.4):
Solving for bands 1 to 5...
linmin: converged after 5 iterations.
@@ -11396,7 +11365,7 @@
iteration 28: trace = 1.04912749670163 (7.79496e-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: 0.21355295181274414
+elapsed time for k point: 2.974879026412964
solve_kpoint (0,0.625,0.375):
Solving for bands 1 to 5...
linmin: converged after 5 iterations.
@@ -11495,26 +11464,26 @@
iteration 45: trace = 1.041449469149454 (8.31082e-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: 0.3395874500274658
+elapsed time for k point: 3.3295464515686035
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/meepFBAM2J/test_diamond-0-dpwr.k06.b01.h5...
+Outputting /tmp/meepYM7cP9/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/meepFBAM2J/test_diamond-0-dpwr.k06.b02.h5...
+Outputting /tmp/meepYM7cP9/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/meepFBAM2J/test_diamond-0-dpwr.k06.b03.h5...
+Outputting /tmp/meepYM7cP9/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/meepFBAM2J/test_diamond-0-dpwr.k06.b04.h5...
+Outputting /tmp/meepYM7cP9/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, 0.435375, 0.326046
-Outputting /tmp/meepFBAM2J/test_diamond-0-dpwr.k06.b05.h5...
+Outputting /tmp/meepYM7cP9/test_diamond-0-dpwr.k06.b05.h5...
D-energy-components:, 6, 5, 0.238579, 0.435375, 0.326046
solve_kpoint (0,0.6,0.3):
Solving for bands 1 to 5...
@@ -11609,7 +11578,7 @@
iteration 44: trace = 1.012177885713604 (8.02686e-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: 0.33191609382629395
+elapsed time for k point: 2.1923775672912598
solve_kpoint (0,0.575,0.225):
Solving for bands 1 to 5...
linmin: converged after 4 iterations.
@@ -11761,2366 +11730,2395 @@
linmin: converged after 4 iterations.
iteration 71: trace = 0.9844601746300234 (0.0199223% change)
linmin: converged after 6 iterations.
- switching to approximate line minimization (decrease time by 55.0263%)
iteration 72: trace = 0.9843700916746623 (0.00915091% change)
- iteration 73: trace = 0.9843454551658701 (0.0025028% change)
- iteration 74: trace = 0.9843309741360176 (0.00147114% change)
- iteration 75: trace = 0.9843269359739925 (0.000410245% change)
- iteration 76: trace = 0.9843259254952034 (0.000102657% change)
- iteration 77: trace = 0.9843252602722019 (6.75816e-05% change)
- iteration 78: trace = 0.9843249585536633 (3.06523e-05% change)
- iteration 79: trace = 0.9843248269988087 (1.3365e-05% change)
- iteration 80: trace = 0.98432476421352 (6.37851e-06% change)
- iteration 81: trace = 0.9843247334123673 (3.12917e-06% change)
- iteration 82: trace = 0.984324723962157 (9.6007e-07% change)
- iteration 83: trace = 0.9843247200124078 (4.01265e-07% change)
- iteration 84: trace = 0.9843247177615019 (2.28675e-07% change)
- iteration 85: trace = 0.9843247140390904 (3.78169e-07% change)
- iteration 86: trace = 0.9843247059908917 (8.17637e-07% change)
- iteration 87: trace = 0.9843246878856029 (1.83936e-06% change)
- iteration 88: trace = 0.9843246566643047 (3.17185e-06% change)
- iteration 89: trace = 0.9843246205399492 (3.66996e-06% change)
- iteration 90: trace = 0.9843246064847049 (1.42791e-06% change)
- iteration 91: trace = 0.9843246017402523 (4.82001e-07% change)
- iteration 92: trace = 0.9843246002807224 (1.48277e-07% change)
- iteration 93: trace = 0.9843245999238864 (3.62519e-08% change)
- iteration 94: trace = 0.9843245998039818 (1.21814e-08% change)
- iteration 95: trace = 0.9843245997561044 (4.86398e-09% change)
- iteration 96: trace = 0.9843245997430989 (1.32126e-09% change)
- iteration 97: trace = 0.9843245997404488 (2.69231e-10% change)
- iteration 98: trace = 0.9843245997396497 (8.11865e-11% change)
+ linmin: converged after 4 iterations.
+ iteration 73: trace = 0.9843454551516437 (0.0025028% change)
+ linmin: converged after 5 iterations.
+ iteration 74: trace = 0.9843309741606924 (0.00147114% change)
+ linmin: converged after 3 iterations.
+ iteration 75: trace = 0.9843269359841216 (0.000410247% change)
+ linmin: converged after 3 iterations.
+ iteration 76: trace = 0.9843259254957233 (0.000102658% change)
+ linmin: converged after 3 iterations.
+ iteration 77: trace = 0.984325260278889 (6.7581e-05% change)
+ linmin: converged after 16 iterations.
+ iteration 78: trace = 0.9843249585574556 (3.06526e-05% change)
+ linmin: converged after 3 iterations.
+ iteration 79: trace = 0.9843248270013296 (1.33651e-05% change)
+ linmin: converged after 2 iterations.
+ iteration 80: trace = 0.9843247642150001 (6.37862e-06% change)
+ linmin: converged after 21 iterations.
+ iteration 81: trace = 0.9843247334132978 (3.12922e-06% change)
+ linmin: converged after 3 iterations.
+ iteration 82: trace = 0.9843247239626907 (9.60111e-07% change)
+ linmin: converged after 3 iterations.
+ iteration 83: trace = 0.9843247200126927 (4.0129e-07% change)
+ linmin: converged after 5 iterations.
+ iteration 84: trace = 0.9843247177619137 (2.28662e-07% change)
+ linmin: converged after 13 iterations.
+ iteration 85: trace = 0.9843247140405498 (3.78063e-07% change)
+ large trace change predicted (8.17085e-07%)
+ linmin: converged after 3 iterations.
+ iteration 86: trace = 0.9843247059977581 (8.17087e-07% change)
+ large trace change predicted (1.83763e-06%)
+ linmin: converged after 3 iterations.
+ iteration 87: trace = 0.9843246879096608 (1.83761e-06% change)
+ linmin: converged after 4 iterations.
+ iteration 88: trace = 0.9843246566924536 (3.17143e-06% change)
+ linmin: converged after 3 iterations.
+ iteration 89: trace = 0.9843246205594831 (3.67084e-06% change)
+ linmin: converged after 4 iterations.
+ iteration 90: trace = 0.9843246064914508 (1.42921e-06% change)
+ linmin: converged after 4 iterations.
+ iteration 91: trace = 0.9843246017419645 (4.82512e-07% change)
+ linmin: converged after 4 iterations.
+ iteration 92: trace = 0.9843246002812466 (1.48398e-07% change)
+ linmin: converged after 3 iterations.
+ iteration 93: trace = 0.9843245999240308 (3.62904e-08% change)
+ linmin: converged after 2 iterations.
+ iteration 94: trace = 0.9843245998040704 (1.21871e-08% change)
+ linmin: converged after 5 iterations.
+ iteration 95: trace = 0.9843245997561378 (4.86959e-09% change)
+ linmin: converged after 6 iterations.
+ iteration 96: trace = 0.9843245997431125 (1.32328e-09% change)
+ linmin: converged after 3 iterations.
+ iteration 97: trace = 0.984324599740466 (2.68858e-10% change)
+ linmin: converged after 2 iterations.
+ iteration 98: trace = 0.9843245997396692 (8.09496e-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: 0.7178797721862793
+elapsed time for k point: 15.80350637435913
solve_kpoint (0,0.55,0.15):
Solving for bands 1 to 5...
linmin: converged after 4 iterations.
- iteration 1: trace = 0.9646769169844729 (2.39738% change)
+ iteration 1: trace = 0.9646769162886698 (2.39738% change)
linmin: converged after 4 iterations.
- iteration 2: trace = 0.9596027660893347 (0.527382% change)
+ iteration 2: trace = 0.9596027655434911 (0.527382% change)
linmin: converged after 4 iterations.
- iteration 3: trace = 0.9585165717033106 (0.113256% change)
+ iteration 3: trace = 0.958516571280313 (0.113256% change)
linmin: converged after 4 iterations.
- iteration 4: trace = 0.957943289542284 (0.0598272% change)
+ iteration 4: trace = 0.9579432893126026 (0.0598272% change)
linmin: converged after 4 iterations.
- iteration 5: trace = 0.9577534784129706 (0.0198164% change)
+ iteration 5: trace = 0.9577534782664552 (0.0198164% change)
linmin: converged after 4 iterations.
- iteration 6: trace = 0.9577044743992946 (0.00511669% change)
+ iteration 6: trace = 0.9577044743066758 (0.00511668% change)
linmin: converged after 4 iterations.
- iteration 7: trace = 0.957678608758347 (0.00270083% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 0.9576698781250785 (0.00091165% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 0.957662913248986 (0.000727276% change)
+ iteration 7: trace = 0.9576786087074998 (0.00270083% change)
+ linmin: converged after 4 iterations.
+ iteration 8: trace = 0.9576698780972583 (0.000911647% change)
+ linmin: converged after 4 iterations.
+ iteration 9: trace = 0.957662913242139 (0.000727274% change)
linmin: converged after 4 iterations.
- iteration 10: trace = 0.957659602937796 (0.000345666% change)
+ iteration 10: trace = 0.9576596029390384 (0.000345665% change)
linmin: converged after 5 iterations.
- iteration 11: trace = 0.9576578418186148 (0.000183898% change)
+ iteration 11: trace = 0.9576578418226341 (0.000183898% change)
linmin: converged after 5 iterations.
- iteration 12: trace = 0.9576568119794555 (0.000107537% change)
- linmin: converged after 6 iterations.
- iteration 13: trace = 0.9576563729664611 (4.58424e-05% change)
+ iteration 12: trace = 0.9576568119836578 (0.000107537% change)
linmin: converged after 5 iterations.
- iteration 14: trace = 0.957656162939267 (2.19314e-05% change)
+ iteration 13: trace = 0.9576563729700537 (4.58425e-05% change)
+ linmin: converged after 6 iterations.
+ iteration 14: trace = 0.957656162942213 (2.19314e-05% change)
linmin: converged after 2 iterations.
- iteration 15: trace = 0.9576560823066533 (8.41979e-06% change)
+ iteration 15: trace = 0.9576560823091441 (8.41984e-06% change)
linmin: converged after 2 iterations.
- iteration 16: trace = 0.957656002306946 (8.3537e-06% change)
- linmin: converged after 7 iterations.
- iteration 17: trace = 0.9576558845368066 (1.22978e-05% change)
- linmin: converged after 14 iterations.
- iteration 18: trace = 0.9576557606442895 (1.29371e-05% change)
+ iteration 16: trace = 0.957656002308769 (8.35377e-06% change)
+ linmin: converged after 4 iterations.
+ iteration 17: trace = 0.9576558845376733 (1.22979e-05% change)
linmin: converged after 5 iterations.
- iteration 19: trace = 0.9576556898704878 (7.39032e-06% change)
+ iteration 18: trace = 0.9576557606444888 (1.29371e-05% change)
+ linmin: converged after 4 iterations.
+ iteration 19: trace = 0.957655689870502 (7.39034e-06% change)
linmin: converged after 2 iterations.
- iteration 20: trace = 0.9576556668427216 (2.4046e-06% change)
+ iteration 20: trace = 0.9576556668427234 (2.4046e-06% change)
linmin: converged after 2 iterations.
- iteration 21: trace = 0.9576556603473553 (6.78257e-07% change)
+ iteration 21: trace = 0.9576556603473596 (6.78257e-07% change)
linmin: converged after 2 iterations.
- iteration 22: trace = 0.9576556586034581 (1.82101e-07% change)
+ iteration 22: trace = 0.9576556586034578 (1.82101e-07% change)
linmin: converged after 2 iterations.
- iteration 23: trace = 0.9576556582296465 (3.9034e-08% change)
- linmin: converged after 3 iterations.
- iteration 24: trace = 0.9576556581383999 (9.52812e-09% change)
+ iteration 23: trace = 0.9576556582296438 (3.90343e-08% change)
linmin: converged after 2 iterations.
- iteration 25: trace = 0.9576556581169042 (2.24462e-09% change)
+ iteration 24: trace = 0.9576556581383974 (9.52811e-09% change)
linmin: converged after 2 iterations.
- iteration 26: trace = 0.9576556581121087 (5.00754e-10% change)
- linmin: converged after 3 iterations.
- iteration 27: trace = 0.9576556581107256 (1.44427e-10% change)
+ iteration 25: trace = 0.9576556581169067 (2.24409e-09% change)
linmin: converged after 3 iterations.
- iteration 28: trace = 0.957655658110388 (3.52547e-11% change)
+ iteration 26: trace = 0.9576556581121116 (5.00707e-10% change)
+ linmin: converged after 2 iterations.
+ iteration 27: trace = 0.9576556581107267 (1.44613e-10% change)
+ linmin: converged after 6 iterations.
+ iteration 28: trace = 0.9576556581103903 (3.51272e-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: 0.21312189102172852
+elapsed time for k point: 1.2785236835479736
solve_kpoint (0,0.525,0.075):
Solving for bands 1 to 5...
linmin: converged after 4 iterations.
- iteration 1: trace = 0.9479336872268764 (2.3896% change)
+ iteration 1: trace = 0.9479336872233943 (2.3896% change)
+ linmin: converged after 4 iterations.
+ iteration 2: trace = 0.9430867597604793 (0.512626% change)
linmin: converged after 4 iterations.
- iteration 2: trace = 0.9430867597552535 (0.512626% change)
+ iteration 3: trace = 0.9419818739511361 (0.117225% change)
linmin: converged after 4 iterations.
- iteration 3: trace = 0.9419818739464183 (0.117225% change)
+ iteration 4: trace = 0.9413709083778428 (0.0648806% change)
linmin: converged after 4 iterations.
- iteration 4: trace = 0.9413709083740591 (0.0648806% change)
+ iteration 5: trace = 0.9411784896466663 (0.0204424% change)
linmin: converged after 4 iterations.
- iteration 5: trace = 0.9411784896437538 (0.0204424% change)
+ iteration 6: trace = 0.9411437673700729 (0.0036893% change)
linmin: converged after 4 iterations.
- iteration 6: trace = 0.9411437673677087 (0.0036893% change)
+ iteration 7: trace = 0.9411282197641757 (0.001652% change)
linmin: converged after 4 iterations.
- iteration 7: trace = 0.9411282197623502 (0.001652% change)
+ iteration 8: trace = 0.9411228844443945 (0.000566908% change)
linmin: converged after 5 iterations.
- iteration 8: trace = 0.94112288444301 (0.000566908% change)
+ iteration 9: trace = 0.9411177224094729 (0.000548499% change)
linmin: converged after 5 iterations.
- iteration 9: trace = 0.9411177224087071 (0.000548499% change)
+ iteration 10: trace = 0.9411142194220592 (0.000372216% change)
linmin: converged after 5 iterations.
- iteration 10: trace = 0.9411142194217064 (0.000372216% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 0.941112530248563 (0.000179487% change)
+ iteration 11: trace = 0.9411125302487315 (0.000179487% change)
linmin: converged after 5 iterations.
- iteration 12: trace = 0.9411116700160878 (9.1406e-05% change)
- linmin: converged after 6 iterations.
- iteration 13: trace = 0.9411114151348848 (2.7083e-05% change)
+ iteration 12: trace = 0.9411116700161734 (9.1406e-05% change)
+ linmin: converged after 5 iterations.
+ iteration 13: trace = 0.9411114151349418 (2.7083e-05% change)
linmin: converged after 2 iterations.
- iteration 14: trace = 0.9411113125577724 (1.08996e-05% change)
+ iteration 14: trace = 0.9411113125578108 (1.08996e-05% change)
linmin: converged after 2 iterations.
- iteration 15: trace = 0.941111284045674 (3.02962e-06% change)
+ iteration 15: trace = 0.9411112840457022 (3.02962e-06% change)
linmin: converged after 2 iterations.
- iteration 16: trace = 0.9411112731924729 (1.15323e-06% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 0.9411112675855253 (5.95779e-07% change)
+ iteration 16: trace = 0.9411112731924944 (1.15323e-06% change)
+ linmin: converged after 4 iterations.
+ iteration 17: trace = 0.9411112675855424 (5.9578e-07% change)
linmin: converged after 4 iterations.
- iteration 18: trace = 0.9411112644312122 (3.35169e-07% change)
+ iteration 18: trace = 0.9411112644312221 (3.3517e-07% change)
linmin: converged after 2 iterations.
- iteration 19: trace = 0.9411112620729394 (2.50584e-07% change)
+ iteration 19: trace = 0.9411112620729449 (2.50584e-07% change)
linmin: converged after 2 iterations.
- iteration 20: trace = 0.9411112600571756 (2.1419e-07% change)
+ iteration 20: trace = 0.9411112600571752 (2.1419e-07% change)
linmin: converged after 2 iterations.
- iteration 21: trace = 0.9411112586302713 (1.51619e-07% change)
+ iteration 21: trace = 0.9411112586302788 (1.51618e-07% change)
linmin: converged after 2 iterations.
- iteration 22: trace = 0.9411112579896662 (6.8069e-08% change)
+ iteration 22: trace = 0.941111257989665 (6.80699e-08% change)
linmin: converged after 2 iterations.
- iteration 23: trace = 0.9411112578179187 (1.82494e-08% change)
+ iteration 23: trace = 0.9411112578179182 (1.82494e-08% change)
+ linmin: converged after 4 iterations.
+ iteration 24: trace = 0.9411112577748086 (4.5807e-09% change)
linmin: converged after 2 iterations.
- iteration 24: trace = 0.9411112577748133 (4.58027e-09% change)
+ iteration 25: trace = 0.9411112577644269 (1.10313e-09% change)
linmin: converged after 2 iterations.
- iteration 25: trace = 0.9411112577644249 (1.10384e-09% change)
+ iteration 26: trace = 0.9411112577622895 (2.27115e-10% change)
linmin: converged after 3 iterations.
- iteration 26: trace = 0.9411112577622929 (2.26548e-10% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 0.9411112577617218 (6.06834e-11% change)
+ iteration 27: trace = 0.9411112577617218 (6.03295e-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: 0.20547938346862793
+elapsed time for k point: 2.3029918670654297
solve_kpoint (0,0.5,0):
Solving for bands 1 to 5...
linmin: converged after 5 iterations.
- iteration 1: trace = 0.9431496225335951 (2.3985% change)
+ iteration 1: trace = 0.9431496225335017 (2.3985% change)
linmin: converged after 5 iterations.
- iteration 2: trace = 0.9380796204968411 (0.539009% change)
+ iteration 2: trace = 0.9380796204968815 (0.539009% change)
linmin: converged after 4 iterations.
- iteration 3: trace = 0.9367721035397272 (0.13948% change)
+ iteration 3: trace = 0.9367721035397474 (0.13948% change)
linmin: converged after 4 iterations.
- iteration 4: trace = 0.9359917825716024 (0.0833336% change)
+ iteration 4: trace = 0.9359917825716 (0.0833336% change)
linmin: converged after 4 iterations.
- iteration 5: trace = 0.9357711657243538 (0.0235732% change)
+ iteration 5: trace = 0.9357711657243475 (0.0235732% change)
linmin: converged after 4 iterations.
- iteration 6: trace = 0.9357390464145816 (0.00343245% change)
+ iteration 6: trace = 0.9357390464145767 (0.00343245% change)
linmin: converged after 4 iterations.
- iteration 7: trace = 0.9357282065214865 (0.00115844% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 0.9357260906567764 (0.00022612% change)
+ iteration 7: trace = 0.9357282065214827 (0.00115844% change)
linmin: converged after 4 iterations.
- iteration 9: trace = 0.935725146239474 (0.000100929% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 0.9357245153926679 (6.7418e-05% change)
- linmin: converged after 5 iterations.
- iteration 11: trace = 0.9357241186857101 (4.23957e-05% change)
+ iteration 8: trace = 0.9357260906567758 (0.00022612% change)
linmin: converged after 6 iterations.
- iteration 12: trace = 0.9357237683382568 (3.74413e-05% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 0.9357236170894796 (1.61638e-05% change)
+ iteration 9: trace = 0.9357251462394733 (0.000100929% change)
linmin: converged after 2 iterations.
- iteration 14: trace = 0.9357235495974401 (7.21282e-06% change)
+ iteration 10: trace = 0.9357245153926672 (6.7418e-05% change)
+ linmin: converged after 4 iterations.
+ iteration 11: trace = 0.9357241186857073 (4.23957e-05% change)
+ linmin: converged after 18 iterations.
+ iteration 12: trace = 0.9357237683382228 (3.74413e-05% change)
+ linmin: converged after 4 iterations.
+ iteration 13: trace = 0.9357236170895995 (1.61638e-05% change)
linmin: converged after 2 iterations.
- iteration 15: trace = 0.9357235309444076 (1.99343e-06% change)
+ iteration 14: trace = 0.9357235495974199 (7.21283e-06% change)
linmin: converged after 2 iterations.
- iteration 16: trace = 0.9357235256266057 (5.68309e-07% change)
+ iteration 15: trace = 0.9357235309444201 (1.99343e-06% change)
linmin: converged after 2 iterations.
- iteration 17: trace = 0.9357235236195156 (2.14496e-07% change)
+ iteration 16: trace = 0.9357235256265997 (5.68311e-07% change)
linmin: converged after 2 iterations.
- iteration 18: trace = 0.9357235229374931 (7.28872e-08% change)
+ iteration 17: trace = 0.9357235236195184 (2.14495e-07% change)
linmin: converged after 2 iterations.
- iteration 19: trace = 0.9357235227208449 (2.3153e-08% change)
+ iteration 18: trace = 0.9357235229374905 (7.28878e-08% change)
linmin: converged after 2 iterations.
- iteration 20: trace = 0.9357235226594707 (6.55901e-09% change)
+ iteration 19: trace = 0.9357235227208447 (2.31528e-08% change)
linmin: converged after 2 iterations.
- iteration 21: trace = 0.9357235226426128 (1.80158e-09% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 0.9357235226371344 (5.85472e-10% change)
- linmin: converged after 3 iterations.
- iteration 23: trace = 0.9357235226350299 (2.2491e-10% change)
- linmin: converged after 3 iterations.
- iteration 24: trace = 0.9357235226340201 (1.07911e-10% change)
+ iteration 20: trace = 0.9357235226594689 (6.55918e-09% change)
linmin: converged after 3 iterations.
- iteration 25: trace = 0.9357235226332379 (8.35998e-11% change)
+ iteration 21: trace = 0.9357235226426152 (1.80115e-09% change)
+ linmin: converged after 2 iterations.
+ iteration 22: trace = 0.9357235226371334 (5.85828e-10% change)
+ linmin: converged after 2 iterations.
+ iteration 23: trace = 0.9357235226350291 (2.24887e-10% change)
+ linmin: converged after 2 iterations.
+ iteration 24: trace = 0.9357235226340188 (1.0797e-10% change)
+ linmin: converged after 6 iterations.
+ iteration 25: trace = 0.9357235226332389 (8.33507e-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: 0.19082999229431152
+elapsed time for k point: 4.6752026081085205
solve_kpoint (0,0.4,0):
Solving for bands 1 to 5...
linmin: converged after 5 iterations.
- iteration 1: trace = 0.953165617262801 (2.95521% change)
+ iteration 1: trace = 0.9531656172624499 (2.95521% change)
linmin: converged after 4 iterations.
- iteration 2: trace = 0.9465651869299327 (0.694881% change)
+ iteration 2: trace = 0.9465651869298157 (0.694881% change)
linmin: converged after 3 iterations.
- iteration 3: trace = 0.9460975825934346 (0.0494123% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 0.9458503027171157 (0.0261402% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 0.945809012351682 (0.00436552% change)
+ iteration 3: trace = 0.9460975825933158 (0.0494123% change)
linmin: converged after 4 iterations.
- iteration 6: trace = 0.9457956329513593 (0.00141461% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 0.9457917144911114 (0.000414304% change)
+ iteration 4: trace = 0.9458503027170211 (0.0261402% change)
+ linmin: converged after 3 iterations.
+ iteration 5: trace = 0.9458090123515988 (0.00436552% change)
linmin: converged after 4 iterations.
- iteration 8: trace = 0.945790828863094 (9.36388e-05% change)
+ iteration 6: trace = 0.9457956329512955 (0.00141461% change)
linmin: converged after 4 iterations.
- iteration 9: trace = 0.9457904833985105 (3.65265e-05% change)
+ iteration 7: trace = 0.9457917144910544 (0.000414304% change)
+ linmin: converged after 37 iterations.
+ iteration 8: trace = 0.9457908288630485 (9.36388e-05% change)
linmin: converged after 4 iterations.
- iteration 10: trace = 0.9457903738934277 (1.15782e-05% change)
+ iteration 9: trace = 0.9457904833984333 (3.65265e-05% change)
linmin: converged after 3 iterations.
- iteration 11: trace = 0.9457903287956939 (4.76826e-06% change)
+ iteration 10: trace = 0.9457903738934199 (1.15781e-05% change)
linmin: converged after 3 iterations.
- iteration 12: trace = 0.9457903098667367 (2.00139e-06% change)
+ iteration 11: trace = 0.945790328795686 (4.76826e-06% change)
+ linmin: converged after 4 iterations.
+ iteration 12: trace = 0.9457903098667285 (2.00139e-06% change)
linmin: converged after 2 iterations.
- iteration 13: trace = 0.9457903008332844 (9.55122e-07% change)
+ iteration 13: trace = 0.9457903008332738 (9.55122e-07% change)
linmin: converged after 2 iterations.
- iteration 14: trace = 0.9457902938373142 (7.39696e-07% change)
+ iteration 14: trace = 0.9457902938373115 (7.39695e-07% change)
linmin: converged after 2 iterations.
- iteration 15: trace = 0.9457902889826197 (5.13295e-07% change)
+ iteration 15: trace = 0.945790288982615 (5.13295e-07% change)
linmin: converged after 2 iterations.
- iteration 16: trace = 0.9457902856358886 (3.53856e-07% change)
+ iteration 16: trace = 0.9457902856358905 (3.53855e-07% change)
linmin: converged after 2 iterations.
- iteration 17: trace = 0.9457902842649575 (1.44951e-07% change)
+ iteration 17: trace = 0.9457902842649593 (1.44951e-07% change)
linmin: converged after 2 iterations.
- iteration 18: trace = 0.9457902838788865 (4.08199e-08% change)
+ iteration 18: trace = 0.9457902838788883 (4.08199e-08% change)
linmin: converged after 2 iterations.
- iteration 19: trace = 0.9457902837821105 (1.02323e-08% change)
+ iteration 19: trace = 0.9457902837821124 (1.02323e-08% change)
linmin: converged after 2 iterations.
- iteration 20: trace = 0.9457902837614043 (2.1893e-09% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 0.9457902837571461 (4.50221e-10% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 0.9457902837561442 (1.05941e-10% change)
+ iteration 20: trace = 0.9457902837614034 (2.1896e-09% change)
+ linmin: converged after 7 iterations.
+ iteration 21: trace = 0.945790283757144 (4.5035e-10% change)
linmin: converged after 3 iterations.
- iteration 23: trace = 0.9457902837559176 (2.39584e-11% change)
+ iteration 22: trace = 0.9457902837561423 (1.05917e-10% change)
+ linmin: converged after 4 iterations.
+ iteration 23: trace = 0.9457902837559192 (2.35828e-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: 0.17614054679870605
+elapsed time for k point: 3.7558910846710205
solve_kpoint (0,0.3,0):
Solving for bands 1 to 5...
linmin: converged after 6 iterations.
- iteration 1: trace = 0.9838330564809288 (2.82864% change)
+ iteration 1: trace = 0.9838330564807534 (2.82864% change)
linmin: converged after 4 iterations.
- iteration 2: trace = 0.9767698261612532 (0.720516% change)
+ iteration 2: trace = 0.9767698261611588 (0.720516% change)
linmin: converged after 3 iterations.
- iteration 3: trace = 0.9759908342476811 (0.0797837% change)
+ iteration 3: trace = 0.9759908342476455 (0.0797837% change)
linmin: converged after 4 iterations.
- iteration 4: trace = 0.9754521141780594 (0.0552125% change)
+ iteration 4: trace = 0.9754521141780657 (0.0552125% change)
linmin: converged after 4 iterations.
- iteration 5: trace = 0.9753439239667435 (0.0110919% change)
+ iteration 5: trace = 0.9753439239667533 (0.0110919% change)
linmin: converged after 4 iterations.
- iteration 6: trace = 0.975287908703611 (0.00574329% change)
+ iteration 6: trace = 0.9752879087036219 (0.00574329% change)
linmin: converged after 4 iterations.
- iteration 7: trace = 0.9752720379978139 (0.0016273% change)
+ iteration 7: trace = 0.9752720379978204 (0.0016273% change)
linmin: converged after 5 iterations.
- iteration 8: trace = 0.9752675452794883 (0.000460664% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 0.9752661173619734 (0.000146413% change)
+ iteration 8: trace = 0.9752675452794952 (0.000460664% change)
linmin: converged after 4 iterations.
- iteration 10: trace = 0.9752657982803785 (3.27174e-05% change)
+ iteration 9: trace = 0.9752661173619801 (0.000146413% change)
linmin: converged after 5 iterations.
- iteration 11: trace = 0.9752656737712249 (1.27667e-05% change)
+ iteration 10: trace = 0.9752657982803837 (3.27174e-05% change)
+ linmin: converged after 5 iterations.
+ iteration 11: trace = 0.9752656737712277 (1.27667e-05% change)
linmin: converged after 2 iterations.
- iteration 12: trace = 0.9752655986569766 (7.70193e-06% change)
- linmin: converged after 9 iterations.
- iteration 13: trace = 0.9752655199382678 (8.07152e-06% change)
+ iteration 12: trace = 0.9752655986569779 (7.70193e-06% change)
+ linmin: converged after 6 iterations.
+ iteration 13: trace = 0.9752655199382627 (8.07152e-06% change)
linmin: converged after 4 iterations.
- iteration 14: trace = 0.9752654586050853 (6.28887e-06% change)
+ iteration 14: trace = 0.9752654586051022 (6.28887e-06% change)
linmin: converged after 2 iterations.
- iteration 15: trace = 0.9752654363667237 (2.28024e-06% change)
- linmin: converged after 8 iterations.
- iteration 16: trace = 0.9752654288851379 (7.67133e-07% change)
+ iteration 15: trace = 0.9752654363667195 (2.28024e-06% change)
+ linmin: converged after 12 iterations.
+ iteration 16: trace = 0.9752654288851387 (7.67133e-07% change)
linmin: converged after 2 iterations.
- iteration 17: trace = 0.9752654270617294 (1.86965e-07% change)
+ iteration 17: trace = 0.9752654270617316 (1.86965e-07% change)
linmin: converged after 2 iterations.
- iteration 18: trace = 0.9752654266193447 (4.53604e-08% change)
- linmin: converged after 10 iterations.
- iteration 19: trace = 0.9752654264923875 (1.30177e-08% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 0.9752654264573533 (3.59227e-09% change)
+ iteration 18: trace = 0.9752654266193401 (4.53611e-08% change)
linmin: converged after 2 iterations.
- iteration 21: trace = 0.9752654264468763 (1.07427e-09% change)
+ iteration 19: trace = 0.9752654264923921 (1.30168e-08% change)
linmin: converged after 2 iterations.
- iteration 22: trace = 0.9752654264434999 (3.46204e-10% change)
- linmin: converged after 3 iterations.
- iteration 23: trace = 0.9752654264424252 (1.10195e-10% change)
- linmin: converged after 3 iterations.
- iteration 24: trace = 0.9752654264419853 (4.51026e-11% change)
+ iteration 20: trace = 0.975265426457352 (3.59288e-09% change)
+ linmin: converged after 7 iterations.
+ iteration 21: trace = 0.975265426446871 (1.07469e-09% change)
+ linmin: converged after 4 iterations.
+ iteration 22: trace = 0.9752654264434989 (3.4576e-10% change)
+ linmin: converged after 2 iterations.
+ iteration 23: trace = 0.9752654264424229 (1.10332e-10% change)
+ linmin: converged after 5 iterations.
+ iteration 24: trace = 0.9752654264419838 (4.50229e-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: 0.18359661102294922
+elapsed time for k point: 4.11699104309082
solve_kpoint (0,0.2,0):
Solving for bands 1 to 5...
linmin: converged after 7 iterations.
- iteration 1: trace = 1.031310457523517 (2.74381% change)
+ iteration 1: trace = 1.031310457525055 (2.74381% change)
linmin: converged after 4 iterations.
- iteration 2: trace = 1.023001395899646 (0.808939% change)
+ iteration 2: trace = 1.023001395900786 (0.808939% change)
linmin: converged after 4 iterations.
- iteration 3: trace = 1.02094459610308 (0.201258% change)
+ iteration 3: trace = 1.020944596104007 (0.201258% change)
linmin: converged after 5 iterations.
- iteration 4: trace = 1.01919668233618 (0.171352% change)
+ iteration 4: trace = 1.019196682336762 (0.171352% change)
linmin: converged after 4 iterations.
- iteration 5: trace = 1.018718077777742 (0.04697% change)
+ iteration 5: trace = 1.01871807777816 (0.04697% change)
linmin: converged after 3 iterations.
- iteration 6: trace = 1.018308274746326 (0.0402354% change)
+ iteration 6: trace = 1.018308274746532 (0.0402354% change)
linmin: converged after 4 iterations.
- iteration 7: trace = 1.018176585208145 (0.012933% change)
+ iteration 7: trace = 1.018176585208275 (0.012933% change)
linmin: converged after 4 iterations.
- iteration 8: trace = 1.018122381585494 (0.00532374% change)
+ iteration 8: trace = 1.01812238158558 (0.00532374% change)
linmin: converged after 3 iterations.
- iteration 9: trace = 1.018108141501862 (0.00139867% change)
+ iteration 9: trace = 1.01810814150193 (0.00139867% change)
linmin: converged after 3 iterations.
- iteration 10: trace = 1.018104688377118 (0.000339171% change)
+ iteration 10: trace = 1.018104688377168 (0.000339171% change)
linmin: converged after 4 iterations.
- iteration 11: trace = 1.018103724639137 (9.46601e-05% change)
+ iteration 11: trace = 1.018103724639177 (9.46601e-05% change)
linmin: converged after 2 iterations.
- iteration 12: trace = 1.018103471304828 (2.4883e-05% change)
+ iteration 12: trace = 1.018103471304866 (2.4883e-05% change)
linmin: converged after 2 iterations.
- iteration 13: trace = 1.018103337799603 (1.31131e-05% change)
+ iteration 13: trace = 1.018103337799626 (1.31131e-05% change)
linmin: converged after 5 iterations.
- iteration 14: trace = 1.018103254441715 (8.18757e-06% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 1.01810320466102 (4.88955e-06% change)
+ iteration 14: trace = 1.018103254441728 (8.18757e-06% change)
+ linmin: converged after 6 iterations.
+ iteration 15: trace = 1.018103204661021 (4.88955e-06% change)
linmin: converged after 3 iterations.
- iteration 16: trace = 1.018103175566663 (2.8577e-06% change)
+ iteration 16: trace = 1.018103175566668 (2.8577e-06% change)
linmin: converged after 2 iterations.
- iteration 17: trace = 1.018103161363203 (1.39509e-06% change)
+ iteration 17: trace = 1.018103161363211 (1.39509e-06% change)
linmin: converged after 4 iterations.
- iteration 18: trace = 1.018103152357125 (8.84594e-07% change)
+ iteration 18: trace = 1.018103152357125 (8.84595e-07% change)
linmin: converged after 2 iterations.
- iteration 19: trace = 1.018103147246916 (5.01934e-07% change)
+ iteration 19: trace = 1.018103147246921 (5.01934e-07% change)
linmin: converged after 2 iterations.
- iteration 20: trace = 1.018103144530308 (2.6683e-07% change)
- linmin: converged after 26 iterations.
+ iteration 20: trace = 1.018103144530307 (2.66831e-07% change)
+ linmin: converged after 3 iterations.
iteration 21: trace = 1.018103143433505 (1.0773e-07% change)
- linmin: converged after 18 iterations.
- iteration 22: trace = 1.018103143020114 (4.0604e-08% change)
- linmin: converged after 17 iterations.
- iteration 23: trace = 1.018103142868823 (1.48602e-08% change)
+ linmin: converged after 4 iterations.
+ iteration 22: trace = 1.018103143020115 (4.0604e-08% change)
linmin: converged after 2 iterations.
- iteration 24: trace = 1.018103142826689 (4.13842e-09% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 1.018103142813699 (1.27595e-09% change)
+ iteration 23: trace = 1.01810314286882 (1.48605e-08% change)
linmin: converged after 3 iterations.
- iteration 26: trace = 1.018103142809128 (4.48973e-10% change)
+ iteration 24: trace = 1.018103142826692 (4.13788e-09% change)
+ linmin: converged after 2 iterations.
+ iteration 25: trace = 1.018103142813699 (1.27623e-09% change)
+ linmin: converged after 4 iterations.
+ iteration 26: trace = 1.018103142809129 (4.48821e-10% change)
linmin: converged after 3 iterations.
- iteration 27: trace = 1.01810314280708 (2.01085e-10% change)
- linmin: converged after 6 iterations.
- iteration 28: trace = 1.018103142806047 (1.01524e-10% change)
- linmin: converged after 6 iterations.
- iteration 29: trace = 1.018103142805611 (4.28123e-11% change)
+ iteration 27: trace = 1.018103142807085 (2.00845e-10% change)
+ linmin: converged after 2 iterations.
+ iteration 28: trace = 1.018103142806048 (1.01851e-10% change)
+ linmin: converged after 3 iterations.
+ iteration 29: trace = 1.018103142805605 (4.34884e-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: 0.22095894813537598
+elapsed time for k point: 3.7140157222747803
solve_kpoint (0,0.1,0):
Solving for bands 1 to 5...
- linmin: converged after 8 iterations.
- iteration 1: trace = 1.077079219748012 (2.88237% change)
- linmin: converged after 6 iterations.
- iteration 2: trace = 1.066262027914326 (1.00938% change)
- linmin: converged after 7 iterations.
- iteration 3: trace = 1.059824264961827 (0.605598% change)
+ linmin: converged after 9 iterations.
+ iteration 1: trace = 1.077079219748032 (2.88237% change)
linmin: converged after 5 iterations.
- iteration 4: trace = 1.056454446691278 (0.318466% change)
+ iteration 2: trace = 1.066262027914341 (1.00938% change)
+ linmin: converged after 6 iterations.
+ iteration 3: trace = 1.05982426496183 (0.605598% change)
+ linmin: converged after 6 iterations.
+ iteration 4: trace = 1.056454446691284 (0.318466% change)
linmin: converged after 4 iterations.
- iteration 5: trace = 1.055117395208741 (0.12664% change)
- linmin: converged after 8 iterations.
- iteration 6: trace = 1.053973327355112 (0.108489% change)
+ iteration 5: trace = 1.055117395208745 (0.12664% change)
+ linmin: converged after 5 iterations.
+ iteration 6: trace = 1.053973327355114 (0.108489% change)
linmin: converged after 4 iterations.
- iteration 7: trace = 1.053442526128464 (0.0503746% change)
+ iteration 7: trace = 1.053442526154095 (0.0503746% change)
linmin: converged after 4 iterations.
- iteration 8: trace = 1.053206381305613 (0.022419% change)
+ iteration 8: trace = 1.053206381323702 (0.022419% change)
linmin: converged after 3 iterations.
- iteration 9: trace = 1.053116219805326 (0.00856103% change)
+ iteration 9: trace = 1.053116219819068 (0.00856103% change)
linmin: converged after 4 iterations.
- iteration 10: trace = 1.053071769622506 (0.00422091% change)
+ iteration 10: trace = 1.053071769632646 (0.00422091% change)
linmin: converged after 4 iterations.
- iteration 11: trace = 1.053056103815011 (0.00148764% change)
+ iteration 11: trace = 1.053056103822104 (0.00148764% change)
linmin: converged after 4 iterations.
- iteration 12: trace = 1.053047222787789 (0.000843361% change)
- linmin: converged after 6 iterations.
- iteration 13: trace = 1.053042139513931 (0.000482722% change)
+ iteration 12: trace = 1.053047222792956 (0.000843361% change)
linmin: converged after 4 iterations.
- iteration 14: trace = 1.053037941123152 (0.000398692% change)
+ iteration 13: trace = 1.053042139517095 (0.000482722% change)
+ linmin: converged after 5 iterations.
+ iteration 14: trace = 1.05303794112489 (0.000398693% change)
linmin: converged after 5 iterations.
- iteration 15: trace = 1.053035343143506 (0.000246713% change)
+ iteration 15: trace = 1.053035343144199 (0.000246713% change)
linmin: converged after 5 iterations.
- iteration 16: trace = 1.053034079935649 (0.000119959% change)
+ iteration 16: trace = 1.053034079936007 (0.000119959% change)
linmin: converged after 6 iterations.
- iteration 17: trace = 1.053033595937132 (4.59623e-05% change)
- linmin: converged after 10 iterations.
- iteration 18: trace = 1.053033362151743 (2.22011e-05% change)
+ iteration 17: trace = 1.053033595937297 (4.59623e-05% change)
+ linmin: converged after 5 iterations.
+ iteration 18: trace = 1.053033362151883 (2.22011e-05% change)
linmin: converged after 3 iterations.
- iteration 19: trace = 1.053033220622913 (1.34401e-05% change)
+ iteration 19: trace = 1.053033220626464 (1.34398e-05% change)
linmin: converged after 2 iterations.
- iteration 20: trace = 1.05303313618057 (8.01896e-06% change)
+ iteration 20: trace = 1.053033136182073 (8.01916e-06% change)
linmin: converged after 2 iterations.
- iteration 21: trace = 1.053033092856717 (4.1142e-06% change)
+ iteration 21: trace = 1.053033092857904 (4.11423e-06% change)
linmin: converged after 2 iterations.
- iteration 22: trace = 1.053033069955626 (2.17477e-06% change)
- linmin: converged after 3 iterations.
- iteration 23: trace = 1.053033056567454 (1.27139e-06% change)
- linmin: converged after 4 iterations.
- iteration 24: trace = 1.053033050086863 (6.15421e-07% change)
+ iteration 22: trace = 1.053033069956103 (2.17484e-06% change)
linmin: converged after 2 iterations.
- iteration 25: trace = 1.053033046929928 (2.99794e-07% change)
- linmin: converged after 5 iterations.
- iteration 26: trace = 1.05303304549263 (1.36491e-07% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 1.053033044713365 (7.40019e-08% change)
+ iteration 23: trace = 1.053033056567706 (1.27141e-06% change)
linmin: converged after 3 iterations.
- iteration 28: trace = 1.053033044195651 (4.9164e-08% change)
- linmin: converged after 3 iterations.
- iteration 29: trace = 1.053033043811561 (3.64746e-08% change)
- linmin: converged after 20 iterations.
- iteration 30: trace = 1.053033043579942 (2.19954e-08% change)
- linmin: converged after 6 iterations.
- iteration 31: trace = 1.053033043469694 (1.04696e-08% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 1.053033043429305 (3.83547e-09% change)
+ iteration 24: trace = 1.053033050087025 (6.1543e-07% change)
linmin: converged after 6 iterations.
- iteration 33: trace = 1.053033043415605 (1.30106e-09% change)
- linmin: converged after 2 iterations.
- iteration 34: trace = 1.05303304341018 (5.15094e-10% change)
+ iteration 25: trace = 1.053033046930003 (2.99803e-07% change)
linmin: converged after 3 iterations.
- iteration 35: trace = 1.053033043407256 (2.77726e-10% change)
- linmin: converged after 6 iterations.
- iteration 36: trace = 1.053033043404642 (2.48206e-10% change)
- linmin: converged after 8 iterations.
- iteration 37: trace = 1.053033043402345 (2.18116e-10% change)
+ iteration 26: trace = 1.053033045492662 (1.36495e-07% change)
linmin: converged after 4 iterations.
- iteration 38: trace = 1.053033043401217 (1.07202e-10% change)
+ iteration 27: trace = 1.05303304471339 (7.40026e-08% change)
+ linmin: converged after 3 iterations.
+ iteration 28: trace = 1.053033044195642 (4.91673e-08% change)
+ linmin: converged after 3 iterations.
+ iteration 29: trace = 1.053033043811545 (3.64754e-08% change)
+ linmin: converged after 18 iterations.
+ iteration 30: trace = 1.053033043579941 (2.1994e-08% change)
+ linmin: converged after 17 iterations.
+ iteration 31: trace = 1.05303304346969 (1.04698e-08% change)
+ linmin: converged after 7 iterations.
+ iteration 32: trace = 1.053033043429304 (3.83516e-09% change)
+ linmin: converged after 3 iterations.
+ iteration 33: trace = 1.053033043415642 (1.29743e-09% change)
+ linmin: converged after 3 iterations.
+ iteration 34: trace = 1.053033043410175 (5.19142e-10% change)
+ linmin: converged after 3 iterations.
+ iteration 35: trace = 1.053033043407271 (2.75744e-10% change)
+ linmin: converged after 3 iterations.
+ iteration 36: trace = 1.053033043404647 (2.49218e-10% change)
+ linmin: converged after 3 iterations.
+ iteration 37: trace = 1.053033043402362 (2.17019e-10% change)
linmin: converged after 3 iterations.
- iteration 39: trace = 1.053033043400875 (3.24306e-11% change)
+ iteration 38: trace = 1.053033043401237 (1.06823e-10% change)
+ linmin: converged after 6 iterations.
+ iteration 39: trace = 1.053033043400841 (3.75756e-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: 0.29489803314208984
+elapsed time for k point: 4.1212897300720215
solve_kpoint (0,0,0):
Solving for bands 3 to 5...
linmin: converged after 7 iterations.
- iteration 1: trace = 1.125418509191376 (26.786% change)
+ iteration 1: trace = 1.125418509203134 (26.786% change)
linmin: converged after 6 iterations.
- iteration 2: trace = 1.086199374680951 (3.54665% change)
+ iteration 2: trace = 1.086199374689317 (3.54665% change)
linmin: converged after 4 iterations.
- iteration 3: trace = 1.077433840602503 (0.810261% change)
+ iteration 3: trace = 1.077433840608125 (0.810261% change)
linmin: converged after 5 iterations.
- iteration 4: trace = 1.070916422402231 (0.606737% change)
+ iteration 4: trace = 1.07091642240455 (0.606737% change)
linmin: converged after 5 iterations.
- iteration 5: trace = 1.06795517723029 (0.276898% change)
+ iteration 5: trace = 1.067955177231412 (0.276898% change)
linmin: converged after 4 iterations.
- iteration 6: trace = 1.06640429646712 (0.145325% change)
+ iteration 6: trace = 1.066404296467735 (0.145325% change)
linmin: converged after 4 iterations.
- iteration 7: trace = 1.065591405105567 (0.0762564% change)
+ iteration 7: trace = 1.065591405105872 (0.0762564% change)
linmin: converged after 4 iterations.
- iteration 8: trace = 1.065169288340961 (0.0396212% change)
+ iteration 8: trace = 1.065169288341139 (0.0396212% change)
linmin: converged after 4 iterations.
- iteration 9: trace = 1.0649475047683 (0.0208236% change)
+ iteration 9: trace = 1.064947504768367 (0.0208236% change)
linmin: converged after 4 iterations.
- iteration 10: trace = 1.064821092340355 (0.011871% change)
+ iteration 10: trace = 1.064821092340382 (0.011871% change)
linmin: converged after 4 iterations.
- iteration 11: trace = 1.064775779630052 (0.00425552% change)
+ iteration 11: trace = 1.064775779630062 (0.00425552% change)
linmin: converged after 4 iterations.
- iteration 12: trace = 1.064759862322813 (0.00149491% change)
+ iteration 12: trace = 1.064759862322818 (0.00149491% change)
linmin: converged after 4 iterations.
- iteration 13: trace = 1.064754343598677 (0.000518308% change)
+ iteration 13: trace = 1.064754343598674 (0.000518308% change)
linmin: converged after 4 iterations.
iteration 14: trace = 1.064752586160355 (0.000165056% change)
linmin: converged after 5 iterations.
- iteration 15: trace = 1.064751934186259 (6.12325e-05% change)
- linmin: converged after 25 iterations.
- iteration 16: trace = 1.064751716375272 (2.04565e-05% change)
+ iteration 15: trace = 1.064751934186257 (6.12325e-05% change)
+ linmin: converged after 5 iterations.
+ iteration 16: trace = 1.064751716375276 (2.04565e-05% change)
linmin: converged after 2 iterations.
- iteration 17: trace = 1.064751641473267 (7.03469e-06% change)
+ iteration 17: trace = 1.064751641473007 (7.03472e-06% change)
linmin: converged after 2 iterations.
- iteration 18: trace = 1.064751608763334 (3.07207e-06% change)
+ iteration 18: trace = 1.064751608763357 (3.07205e-06% change)
linmin: converged after 4 iterations.
- iteration 19: trace = 1.064751594444219 (1.34483e-06% change)
+ iteration 19: trace = 1.064751594444111 (1.34484e-06% change)
linmin: converged after 2 iterations.
- iteration 20: trace = 1.064751588378935 (5.69643e-07% change)
+ iteration 20: trace = 1.064751588378962 (5.6963e-07% change)
linmin: converged after 2 iterations.
- iteration 21: trace = 1.06475158506594 (3.11152e-07% change)
+ iteration 21: trace = 1.064751585065905 (3.11158e-07% change)
linmin: converged after 2 iterations.
- iteration 22: trace = 1.064751582775816 (2.15085e-07% change)
+ iteration 22: trace = 1.064751582775833 (2.1508e-07% change)
linmin: converged after 2 iterations.
- iteration 23: trace = 1.064751581427317 (1.26649e-07% change)
+ iteration 23: trace = 1.064751581427303 (1.26652e-07% change)
linmin: converged after 2 iterations.
- iteration 24: trace = 1.064751580863346 (5.29674e-08% change)
+ iteration 24: trace = 1.064751580863343 (5.29663e-08% change)
linmin: converged after 2 iterations.
- iteration 25: trace = 1.064751580697915 (1.5537e-08% change)
+ iteration 25: trace = 1.064751580697916 (1.55367e-08% change)
linmin: converged after 2 iterations.
- iteration 26: trace = 1.064751580656115 (3.92579e-09% change)
+ iteration 26: trace = 1.064751580656117 (3.92568e-09% change)
linmin: converged after 4 iterations.
- iteration 27: trace = 1.064751580642666 (1.26311e-09% change)
- linmin: converged after 2 iterations.
- iteration 28: trace = 1.064751580638184 (4.2094e-10% change)
+ iteration 27: trace = 1.064751580642666 (1.26326e-09% change)
linmin: converged after 3 iterations.
- iteration 29: trace = 1.064751580636458 (1.6212e-10% change)
- linmin: converged after 5 iterations.
- iteration 30: trace = 1.064751580635713 (6.99656e-11% change)
+ iteration 28: trace = 1.06475158063819 (4.20419e-10% change)
+ linmin: converged after 4 iterations.
+ iteration 29: trace = 1.064751580636454 (1.63038e-10% change)
+ linmin: converged after 3 iterations.
+ iteration 30: trace = 1.06475158063571 (6.98405e-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: 0.11437797546386719
+elapsed time for k point: 2.283107042312622
solve_kpoint (0,0.1,0.1):
Solving for bands 1 to 5...
- linmin: converged after 10 iterations.
- iteration 1: trace = 1.083139123992332 (4.15252% change)
+ linmin: converged after 9 iterations.
+ iteration 1: trace = 1.083139123993515 (4.15252% change)
linmin: converged after 5 iterations.
- iteration 2: trace = 1.067759464050377 (1.43007% change)
+ iteration 2: trace = 1.067759464050549 (1.43007% change)
linmin: converged after 5 iterations.
- iteration 3: trace = 1.058743055847689 (0.848004% change)
+ iteration 3: trace = 1.058743055847529 (0.848004% change)
linmin: converged after 4 iterations.
- iteration 4: trace = 1.055821359693045 (0.27634% change)
+ iteration 4: trace = 1.055821359692894 (0.27634% change)
linmin: converged after 4 iterations.
- iteration 5: trace = 1.055194292753355 (0.059409% change)
+ iteration 5: trace = 1.055194292753252 (0.059409% change)
linmin: converged after 4 iterations.
- iteration 6: trace = 1.05451570710273 (0.0643298% change)
+ iteration 6: trace = 1.054515707102698 (0.0643298% change)
linmin: converged after 4 iterations.
- iteration 7: trace = 1.054199358517808 (0.0300039% change)
+ iteration 7: trace = 1.054199358517806 (0.0300039% change)
linmin: converged after 4 iterations.
- iteration 8: trace = 1.05401502612871 (0.0174871% change)
+ iteration 8: trace = 1.054015026128711 (0.0174871% change)
linmin: converged after 4 iterations.
- iteration 9: trace = 1.053945642710523 (0.00658299% change)
+ iteration 9: trace = 1.05394564271052 (0.00658299% change)
linmin: converged after 4 iterations.
- iteration 10: trace = 1.053916462348825 (0.00276872% change)
+ iteration 10: trace = 1.053916462348827 (0.00276872% change)
linmin: converged after 4 iterations.
- iteration 11: trace = 1.053905508373106 (0.00103936% change)
+ iteration 11: trace = 1.053905508373105 (0.00103936% change)
linmin: converged after 4 iterations.
iteration 12: trace = 1.053902318616983 (0.000302661% change)
- linmin: converged after 13 iterations.
- iteration 13: trace = 1.053901410289628 (8.61871e-05% change)
linmin: converged after 4 iterations.
- iteration 14: trace = 1.053901190385469 (2.08657e-05% change)
+ iteration 13: trace = 1.053901410289624 (8.61871e-05% change)
+ linmin: converged after 5 iterations.
+ iteration 14: trace = 1.053901190385521 (2.08657e-05% change)
linmin: converged after 2 iterations.
- iteration 15: trace = 1.053901094722953 (9.07699e-06% change)
+ iteration 15: trace = 1.053901094722908 (9.077e-06% change)
linmin: converged after 2 iterations.
- iteration 16: trace = 1.0539010423296 (4.97137e-06% change)
+ iteration 16: trace = 1.053901042329604 (4.97137e-06% change)
linmin: converged after 2 iterations.
- iteration 17: trace = 1.053901016387604 (2.46152e-06% change)
+ iteration 17: trace = 1.05390101638759 (2.46152e-06% change)
linmin: converged after 2 iterations.
- iteration 18: trace = 1.053901002297731 (1.33693e-06% change)
+ iteration 18: trace = 1.05390100229774 (1.33692e-06% change)
linmin: converged after 2 iterations.
- iteration 19: trace = 1.053900994619983 (7.28507e-07% change)
+ iteration 19: trace = 1.053900994619986 (7.28508e-07% change)
linmin: converged after 2 iterations.
- iteration 20: trace = 1.053900989320622 (5.02833e-07% change)
+ iteration 20: trace = 1.053900989320632 (5.02832e-07% change)
linmin: converged after 2 iterations.
- iteration 21: trace = 1.053900987123129 (2.0851e-07% change)
+ iteration 21: trace = 1.053900987123137 (2.08511e-07% change)
linmin: converged after 2 iterations.
- iteration 22: trace = 1.053900986524412 (5.68096e-08% change)
+ iteration 22: trace = 1.053900986524416 (5.681e-08% change)
linmin: converged after 3 iterations.
- iteration 23: trace = 1.053900986366483 (1.49853e-08% change)
- linmin: converged after 4 iterations.
- iteration 24: trace = 1.053900986325057 (3.93073e-09% change)
+ iteration 23: trace = 1.053900986366487 (1.49852e-08% change)
linmin: converged after 2 iterations.
- iteration 25: trace = 1.05390098631045 (1.38595e-09% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 1.053900986303705 (6.4005e-10% change)
+ iteration 24: trace = 1.053900986325057 (3.93111e-09% change)
linmin: converged after 2 iterations.
- iteration 27: trace = 1.053900986300586 (2.95933e-10% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 1.053900986298913 (1.58733e-10% change)
- linmin: converged after 3 iterations.
- iteration 29: trace = 1.053900986298101 (7.70276e-11% change)
+ iteration 25: trace = 1.053900986310452 (1.38576e-09% change)
+ linmin: converged after 4 iterations.
+ iteration 26: trace = 1.053900986303702 (6.4045e-10% change)
+ linmin: converged after 4 iterations.
+ iteration 27: trace = 1.053900986300588 (2.95469e-10% change)
+ linmin: converged after 2 iterations.
+ iteration 28: trace = 1.053900986298909 (1.59365e-10% change)
+ linmin: converged after 5 iterations.
+ iteration 29: trace = 1.053900986298104 (7.63534e-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: 0.28997802734375
+elapsed time for k point: 3.7164008617401123
solve_kpoint (0,0.2,0.2):
Solving for bands 1 to 5...
- linmin: converged after 6 iterations.
- iteration 1: trace = 1.065595398928638 (3.90048% change)
- linmin: converged after 10 iterations.
- iteration 2: trace = 1.055450127301297 (0.956629% change)
+ linmin: converged after 7 iterations.
+ iteration 1: trace = 1.065595398928579 (3.90048% change)
+ linmin: converged after 5 iterations.
+ iteration 2: trace = 1.055450127301308 (0.956629% change)
linmin: converged after 4 iterations.
- iteration 3: trace = 1.052399474005027 (0.289456% change)
+ iteration 3: trace = 1.052399474005145 (0.289456% change)
linmin: converged after 4 iterations.
- iteration 4: trace = 1.051047423635596 (0.128556% change)
+ iteration 4: trace = 1.051047423636178 (0.128556% change)
linmin: converged after 4 iterations.
- iteration 5: trace = 1.050891451863641 (0.0148408% change)
+ iteration 5: trace = 1.050891451863719 (0.0148408% change)
linmin: converged after 4 iterations.
- iteration 6: trace = 1.050820039910637 (0.0067956% change)
+ iteration 6: trace = 1.050820039910739 (0.0067956% change)
linmin: converged after 6 iterations.
- iteration 7: trace = 1.050776389407951 (0.00415403% change)
+ iteration 7: trace = 1.050776389407954 (0.00415403% change)
linmin: converged after 3 iterations.
- iteration 8: trace = 1.050735518700089 (0.00388965% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 1.050712406629304 (0.00219963% change)
+ iteration 8: trace = 1.050735518700163 (0.00388965% change)
+ linmin: converged after 4 iterations.
+ iteration 9: trace = 1.050712406629326 (0.00219963% change)
linmin: converged after 5 iterations.
- iteration 10: trace = 1.050703645182157 (0.000833861% change)
- linmin: converged after 6 iterations.
- iteration 11: trace = 1.050700527947592 (0.000296681% change)
+ iteration 10: trace = 1.050703645182168 (0.000833861% change)
+ linmin: converged after 4 iterations.
+ iteration 11: trace = 1.050700527947597 (0.000296681% change)
linmin: converged after 5 iterations.
- iteration 12: trace = 1.050699532774886 (9.47152e-05% change)
+ iteration 12: trace = 1.050699532774884 (9.47152e-05% change)
linmin: converged after 5 iterations.
- iteration 13: trace = 1.050699177150716 (3.38464e-05% change)
+ iteration 13: trace = 1.050699177150715 (3.38464e-05% change)
linmin: converged after 2 iterations.
- iteration 14: trace = 1.050699067583432 (1.0428e-05% change)
+ iteration 14: trace = 1.050699067583426 (1.0428e-05% change)
linmin: converged after 2 iterations.
- iteration 15: trace = 1.050699026853781 (3.87643e-06% change)
+ iteration 15: trace = 1.050699026853782 (3.87643e-06% change)
linmin: converged after 2 iterations.
- iteration 16: trace = 1.050699005022339 (2.0778e-06% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 1.05069898996691 (1.4329e-06% change)
+ iteration 16: trace = 1.050699005022336 (2.0778e-06% change)
+ linmin: converged after 6 iterations.
+ iteration 17: trace = 1.050698989966912 (1.4329e-06% change)
linmin: converged after 2 iterations.
- iteration 18: trace = 1.050698977063516 (1.22808e-06% change)
+ iteration 18: trace = 1.050698977063517 (1.22808e-06% change)
linmin: converged after 2 iterations.
- iteration 19: trace = 1.050698967444909 (9.15448e-07% change)
+ iteration 19: trace = 1.050698967444911 (9.15448e-07% change)
linmin: converged after 2 iterations.
iteration 20: trace = 1.050698960362368 (6.74079e-07% change)
linmin: converged after 2 iterations.
- iteration 21: trace = 1.05069895675734 (3.43108e-07% change)
+ iteration 21: trace = 1.050698956757338 (3.43108e-07% change)
linmin: converged after 2 iterations.
- iteration 22: trace = 1.050698955164585 (1.5159e-07% change)
+ iteration 22: trace = 1.050698955164582 (1.5159e-07% change)
linmin: converged after 2 iterations.
- iteration 23: trace = 1.050698954594421 (5.42652e-08% change)
+ iteration 23: trace = 1.05069895459442 (5.4265e-08% change)
linmin: converged after 2 iterations.
- iteration 24: trace = 1.050698954368865 (2.14673e-08% change)
+ iteration 24: trace = 1.050698954368865 (2.14672e-08% change)
linmin: converged after 2 iterations.
iteration 25: trace = 1.050698954208974 (1.52175e-08% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 1.050698954069499 (1.32745e-08% change)
linmin: converged after 2 iterations.
- iteration 27: trace = 1.050698953980487 (8.47169e-09% change)
+ iteration 26: trace = 1.0506989540695 (1.32744e-08% change)
linmin: converged after 2 iterations.
- iteration 28: trace = 1.050698953945815 (3.29984e-09% change)
+ iteration 27: trace = 1.050698953980486 (8.47188e-09% change)
+ linmin: converged after 8 iterations.
+ iteration 28: trace = 1.050698953945816 (3.29971e-09% change)
linmin: converged after 2 iterations.
- iteration 29: trace = 1.050698953935615 (9.70831e-10% change)
- linmin: converged after 5 iterations.
- iteration 30: trace = 1.050698953931684 (3.74118e-10% change)
+ iteration 29: trace = 1.050698953935616 (9.70788e-10% change)
+ linmin: converged after 9 iterations.
+ iteration 30: trace = 1.050698953931686 (3.74055e-10% change)
+ linmin: converged after 2 iterations.
+ iteration 31: trace = 1.050698953929973 (1.6302e-10% change)
linmin: converged after 3 iterations.
- iteration 31: trace = 1.050698953929972 (1.62893e-10% change)
- linmin: converged after 7 iterations.
- iteration 32: trace = 1.050698953929235 (7.02251e-11% change)
+ iteration 32: trace = 1.050698953929234 (7.03096e-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: 0.24291276931762695
+elapsed time for k point: 6.859142303466797
solve_kpoint (0,0.3,0.3):
Solving for bands 1 to 5...
linmin: converged after 4 iterations.
- iteration 1: trace = 1.088279540873553 (4.02105% change)
+ iteration 1: trace = 1.088279540873555 (4.02105% change)
linmin: converged after 4 iterations.
- iteration 2: trace = 1.078010312383156 (0.948094% change)
+ 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)
+ iteration 5: trace = 1.074888810319138 (0.0219282% change)
linmin: converged after 4 iterations.
- iteration 6: trace = 1.074611210358773 (0.0258293% change)
+ iteration 6: trace = 1.074611210358774 (0.0258293% change)
linmin: converged after 4 iterations.
- iteration 7: trace = 1.074337620664562 (0.0254627% change)
+ iteration 7: trace = 1.074337620664561 (0.0254627% change)
linmin: converged after 4 iterations.
- iteration 8: trace = 1.07413313855772 (0.0190351% change)
+ iteration 8: trace = 1.074133138557719 (0.0190351% change)
linmin: converged after 4 iterations.
- iteration 9: trace = 1.074051063054056 (0.00764138% change)
+ iteration 9: trace = 1.074051063054055 (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 = 1.074016815860835 (0.000309702% change)
+ iteration 12: trace = 1.074016815860834 (0.000309702% change)
linmin: converged after 5 iterations.
iteration 13: trace = 1.074015086574427 (0.000161011% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 1.0740142217956 (8.05183e-05% change)
linmin: converged after 5 iterations.
- iteration 15: trace = 1.074013421483327 (7.4516e-05% change)
+ iteration 14: trace = 1.074014221795601 (8.05183e-05% change)
+ linmin: converged after 5 iterations.
+ iteration 15: trace = 1.074013421483325 (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 5 iterations.
+ linmin: converged after 3 iterations.
iteration 17: trace = 1.074006542454387 (0.000490686% change)
large trace change predicted (0.00906198%)
linmin: converged after 6 iterations.
- iteration 18: trace = 1.073941701046233 (0.00603752% change)
+ iteration 18: trace = 1.07394170104624 (0.00603752% change)
large trace change predicted (0.0314784%)
- linmin: converged after 12 iterations.
- iteration 19: trace = 1.073871054646416 (0.00657845% change)
+ linmin: converged after 9 iterations.
+ iteration 19: trace = 1.073871054646401 (0.00657845% change)
linmin: converged after 7 iterations.
- iteration 20: trace = 1.073836865047087 (0.00318382% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 1.073810051814028 (0.00249699% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 1.073786930253217 (0.00215325% change)
- linmin: converged after 10 iterations.
- iteration 23: trace = 1.073765951854456 (0.0019537% change)
+ iteration 20: trace = 1.073836865047133 (0.00318382% change)
linmin: converged after 4 iterations.
- iteration 24: trace = 1.073746099860138 (0.00184884% change)
+ iteration 21: trace = 1.073810051814073 (0.00249699% change)
linmin: converged after 4 iterations.
- iteration 25: trace = 1.073726549588458 (0.00182077% change)
+ iteration 22: trace = 1.073786930253258 (0.00215325% change)
+ linmin: converged after 5 iterations.
+ iteration 23: trace = 1.073765951854511 (0.0019537% change)
+ linmin: converged after 5 iterations.
+ iteration 24: trace = 1.073746099951677 (0.00184883% change)
linmin: converged after 4 iterations.
- iteration 26: trace = 1.073706652603742 (0.00185309% change)
+ iteration 25: trace = 1.073726549677794 (0.00182077% change)
linmin: converged after 6 iterations.
- iteration 27: trace = 1.073686047966421 (0.00191904% change)
- linmin: converged after 6 iterations.
- iteration 28: trace = 1.073664807416834 (0.0019783% change)
+ iteration 26: trace = 1.073706652691414 (0.00185309% change)
linmin: converged after 4 iterations.
- iteration 29: trace = 1.073643487495667 (0.00198573% change)
- linmin: converged after 6 iterations.
- iteration 30: trace = 1.073622932948062 (0.00191449% change)
+ iteration 27: trace = 1.073686048053079 (0.00191904% change)
+ linmin: converged after 5 iterations.
+ iteration 28: trace = 1.07366480750308 (0.0019783% change)
linmin: converged after 4 iterations.
- iteration 31: trace = 1.073603845244766 (0.00177789% change)
+ iteration 29: trace = 1.073643487581963 (0.00198573% change)
linmin: converged after 4 iterations.
- iteration 32: trace = 1.073586422494262 (0.00162284% change)
+ iteration 30: trace = 1.073622933034567 (0.00191449% change)
linmin: converged after 4 iterations.
- iteration 33: trace = 1.073570337515781 (0.00149826% change)
+ iteration 31: trace = 1.073603845331304 (0.00177789% change)
linmin: converged after 4 iterations.
- iteration 34: trace = 1.073554964133572 (0.001432% change)
+ iteration 32: trace = 1.073586422580545 (0.00162284% change)
linmin: converged after 4 iterations.
- iteration 35: trace = 1.073539629030023 (0.00142845% change)
+ iteration 33: trace = 1.07357033760148 (0.00149826% change)
linmin: converged after 4 iterations.
- iteration 36: trace = 1.073523800476235 (0.00147444% change)
+ iteration 34: trace = 1.0735549642185 (0.001432% change)
linmin: converged after 4 iterations.
- iteration 37: trace = 1.07350721905162 (0.00154459% change)
+ iteration 35: trace = 1.073539629114168 (0.00142845% change)
+ linmin: converged after 6 iterations.
+ iteration 36: trace = 1.073523800559739 (0.00147444% change)
linmin: converged after 4 iterations.
- iteration 38: trace = 1.073489949913865 (0.00160868% change)
+ iteration 37: trace = 1.073507219134764 (0.00154459% change)
linmin: converged after 4 iterations.
- iteration 39: trace = 1.073472300629322 (0.00164412% change)
+ iteration 38: trace = 1.073489949996989 (0.00160868% change)
linmin: converged after 4 iterations.
- iteration 40: trace = 1.073454608019516 (0.00164818% change)
- linmin: converged after 5 iterations.
- iteration 41: trace = 1.073437013828229 (0.00163904% change)
- linmin: converged after 5 iterations.
- iteration 42: trace = 1.073419363942593 (0.00164425% change)
+ iteration 39: trace = 1.073472300712646 (0.00164412% change)
linmin: converged after 4 iterations.
- iteration 43: trace = 1.073401253191454 (0.00168722% change)
+ iteration 40: trace = 1.07345460810302 (0.00164818% change)
linmin: converged after 4 iterations.
- iteration 44: trace = 1.073382150195075 (0.00177969% change)
+ iteration 41: trace = 1.073437013911646 (0.00163904% change)
linmin: converged after 4 iterations.
- iteration 45: trace = 1.073361544198039 (0.00191974% change)
+ iteration 42: trace = 1.07341936402553 (0.00164425% change)
linmin: converged after 4 iterations.
- iteration 46: trace = 1.073339086794205 (0.00209227% change)
+ iteration 43: trace = 1.073401253273459 (0.00168722% change)
linmin: converged after 4 iterations.
- iteration 47: trace = 1.073314699796275 (0.00227209% change)
+ iteration 44: trace = 1.073382150275805 (0.00177969% change)
linmin: converged after 4 iterations.
- iteration 48: trace = 1.073288605795537 (0.00243119% change)
+ iteration 45: trace = 1.0733615442773 (0.00191974% change)
linmin: converged after 4 iterations.
- iteration 49: trace = 1.073261255658797 (0.00254829% change)
- linmin: converged after 5 iterations.
- iteration 50: trace = 1.073233183557536 (0.00261562% change)
- linmin: converged after 4 iterations.
- iteration 51: trace = 1.073204865296414 (0.00263863% change)
+ iteration 46: trace = 1.073339086872033 (0.00209227% change)
linmin: converged after 4 iterations.
- iteration 52: trace = 1.073176643511875 (0.00262971% change)
+ iteration 47: trace = 1.073314699872937 (0.00227209% change)
linmin: converged after 4 iterations.
- iteration 53: trace = 1.073148730702852 (0.00260099% change)
+ iteration 48: trace = 1.073288605871434 (0.00243119% change)
+ linmin: converged after 5 iterations.
+ iteration 49: trace = 1.073261255734322 (0.00254829% change)
linmin: converged after 4 iterations.
- iteration 54: trace = 1.073121259152683 (0.00255993% change)
+ iteration 50: trace = 1.073233183632931 (0.00261562% change)
linmin: converged after 4 iterations.
- iteration 55: trace = 1.073094338511955 (0.00250866% change)
+ iteration 51: trace = 1.073204865371742 (0.00263863% change)
linmin: converged after 4 iterations.
- iteration 56: trace = 1.07306809496856 (0.00244563% change)
+ iteration 52: trace = 1.073176643586995 (0.00262971% change)
linmin: converged after 4 iterations.
- iteration 57: trace = 1.073042682876337 (0.0023682% change)
+ iteration 53: trace = 1.07314873077758 (0.00260099% change)
linmin: converged after 4 iterations.
- iteration 58: trace = 1.073018272479906 (0.0022749% change)
+ iteration 54: trace = 1.073121259226807 (0.00255993% change)
linmin: converged after 4 iterations.
- iteration 59: trace = 1.072995024545216 (0.00216662% change)
+ iteration 55: trace = 1.073094338585364 (0.00250866% change)
linmin: converged after 4 iterations.
- iteration 60: trace = 1.072973064424986 (0.00204664% change)
+ iteration 56: trace = 1.073068095041238 (0.00244563% change)
linmin: converged after 4 iterations.
- iteration 61: trace = 1.072952465153288 (0.00191985% change)
+ iteration 57: trace = 1.073042682948385 (0.0023682% change)
linmin: converged after 4 iterations.
- iteration 62: trace = 1.072933243592049 (0.00179148% change)
+ iteration 58: trace = 1.073018272551503 (0.0022749% change)
linmin: converged after 4 iterations.
- iteration 63: trace = 1.072915368169544 (0.00166605% change)
+ iteration 59: trace = 1.072995024616579 (0.00216662% change)
linmin: converged after 5 iterations.
- iteration 64: trace = 1.072898773417836 (0.00154671% change)
+ iteration 60: trace = 1.072973064496317 (0.00204664% change)
linmin: converged after 4 iterations.
- iteration 65: trace = 1.072883375846549 (0.00143515% change)
+ iteration 61: trace = 1.072952465224757 (0.00191985% change)
linmin: converged after 4 iterations.
- iteration 66: trace = 1.072869086925411 (0.00133183% change)
+ iteration 62: trace = 1.072933243663793 (0.00179148% change)
linmin: converged after 4 iterations.
- iteration 67: trace = 1.072855820948222 (0.0012365% change)
+ iteration 63: trace = 1.072915368241642 (0.00166605% change)
+ linmin: converged after 6 iterations.
+ iteration 64: trace = 1.072898773490337 (0.00154671% change)
linmin: converged after 4 iterations.
- iteration 68: trace = 1.072843497479269 (0.00114867% change)
+ iteration 65: trace = 1.07288337591944 (0.00143515% change)
+ linmin: converged after 5 iterations.
+ iteration 66: trace = 1.072869086998702 (0.00133183% change)
+ linmin: converged after 5 iterations.
+ iteration 67: trace = 1.072855821021881 (0.0012365% change)
linmin: converged after 4 iterations.
- iteration 69: trace = 1.072832039536612 (0.001068% change)
+ iteration 68: trace = 1.072843497553276 (0.00114867% change)
+ linmin: converged after 3 iterations.
+ iteration 69: trace = 1.072832039610928 (0.001068% change)
resetting CG direction...
large trace change predicted (0.0590982%)
+ linmin: converged after 3 iterations.
+ iteration 70: trace = 1.072198123251259 (0.0591056% change)
+ linmin: converged after 15 iterations.
+ iteration 71: trace = 1.07134711810174 (0.0794017% change)
linmin: converged after 5 iterations.
- iteration 70: trace = 1.072198123222229 (0.0591056% change)
- linmin: converged after 5 iterations.
- iteration 71: trace = 1.07134711808592 (0.0794016% change)
- linmin: converged after 5 iterations.
- iteration 72: trace = 1.070541462636204 (0.0752285% change)
+ iteration 72: trace = 1.070541462572527 (0.0752285% change)
linmin: converged after 5 iterations.
- iteration 73: trace = 1.069893830379659 (0.0605141% change)
+ iteration 73: trace = 1.069893830362633 (0.0605141% change)
linmin: converged after 4 iterations.
- iteration 74: trace = 1.069675879036915 (0.0203734% change)
+ iteration 74: trace = 1.069675879029691 (0.0203734% change)
linmin: converged after 4 iterations.
- iteration 75: trace = 1.069604565047892 (0.0066671% change)
+ iteration 75: trace = 1.069604565043349 (0.0066671% change)
linmin: converged after 4 iterations.
- iteration 76: trace = 1.06958204121485 (0.00210583% change)
+ iteration 76: trace = 1.069582041212672 (0.00210583% change)
linmin: converged after 4 iterations.
- iteration 77: trace = 1.069571765034283 (0.000960771% change)
+ iteration 77: trace = 1.069571765034014 (0.00096077% change)
linmin: converged after 3 iterations.
- iteration 78: trace = 1.069569886834971 (0.000175603% change)
- linmin: converged after 4 iterations.
- iteration 79: trace = 1.069568934568026 (8.90327e-05% change)
- linmin: converged after 4 iterations.
- iteration 80: trace = 1.069568397381281 (5.02246e-05% change)
+ iteration 78: trace = 1.069569886834663 (0.000175603% change)
+ linmin: converged after 6 iterations.
+ iteration 79: trace = 1.069568934567785 (8.90327e-05% change)
linmin: converged after 3 iterations.
- iteration 81: trace = 1.069567984275015 (3.86236e-05% change)
- linmin: converged after 4 iterations.
- iteration 82: trace = 1.06956778417198 (1.87088e-05% change)
- linmin: converged after 4 iterations.
- iteration 83: trace = 1.069567559606762 (2.09959e-05% change)
+ iteration 80: trace = 1.069568397381151 (5.02246e-05% change)
linmin: converged after 3 iterations.
- iteration 84: trace = 1.069567395325875 (1.53596e-05% change)
+ iteration 81: trace = 1.069567984274982 (3.86236e-05% change)
+ linmin: converged after 4 iterations.
+ iteration 82: trace = 1.069567784172004 (1.87088e-05% change)
+ linmin: converged after 5 iterations.
+ iteration 83: trace = 1.069567559606812 (2.09959e-05% change)
+ linmin: converged after 13 iterations.
+ iteration 84: trace = 1.069567395325959 (1.53596e-05% change)
linmin: converged after 3 iterations.
- iteration 85: trace = 1.069567279689847 (1.08115e-05% change)
+ iteration 85: trace = 1.069567279689911 (1.08115e-05% change)
linmin: converged after 3 iterations.
- iteration 86: trace = 1.069567202427431 (7.22371e-06% change)
+ iteration 86: trace = 1.069567202427513 (7.22371e-06% change)
linmin: converged after 3 iterations.
iteration 87: trace = 1.069567123735025 (7.35741e-06% change)
- linmin: converged after 7 iterations.
- iteration 88: trace = 1.069566990371044 (1.2469e-05% change)
- linmin: converged after 5 iterations.
- iteration 89: trace = 1.069566806433107 (1.71974e-05% change)
linmin: converged after 3 iterations.
- iteration 90: trace = 1.069566611503709 (1.82251e-05% change)
- linmin: converged after 4 iterations.
- iteration 91: trace = 1.069566258366281 (3.30169e-05% change)
+ iteration 88: trace = 1.069566990371064 (1.2469e-05% change)
+ linmin: converged after 6 iterations.
+ iteration 89: trace = 1.069566806433226 (1.71974e-05% change)
linmin: converged after 3 iterations.
- iteration 92: trace = 1.069565649806524 (5.68978e-05% change)
+ iteration 90: trace = 1.069566611503603 (1.82251e-05% change)
+ linmin: converged after 3 iterations.
+ iteration 91: trace = 1.06956625836616 (3.30169e-05% change)
+ linmin: converged after 7 iterations.
+ iteration 92: trace = 1.069565649806643 (5.68978e-05% change)
large trace change predicted (0.000165075%)
- linmin: converged after 5 iterations.
- iteration 93: trace = 1.069563887331198 (0.000164784% change)
+ linmin: converged after 4 iterations.
+ iteration 93: trace = 1.069563887330695 (0.000164784% change)
large trace change predicted (0.000584339%)
linmin: converged after 5 iterations.
- iteration 94: trace = 1.069557815153178 (0.000567726% change)
- large trace change predicted (0.00612952%)
+ iteration 94: trace = 1.069557815156878 (0.000567726% change)
+ large trace change predicted (0.0061294%)
linmin: converged after 7 iterations.
- iteration 95: trace = 1.0695318393753 (0.00242868% change)
+ iteration 95: trace = 1.069531839644754 (0.00242865% change)
+ linmin: converged after 9 iterations.
+ iteration 96: trace = 1.069511580257867 (0.00189425% change)
+ linmin: converged after 9 iterations.
+ iteration 97: trace = 1.069496500451968 (0.00140998% change)
linmin: converged after 6 iterations.
- iteration 96: trace = 1.069511579760979 (0.00189427% change)
+ iteration 98: trace = 1.069483717677052 (0.00119522% change)
linmin: converged after 7 iterations.
- iteration 97: trace = 1.069496499929513 (0.00140998% change)
+ iteration 99: trace = 1.069471278223669 (0.00116313% change)
linmin: converged after 6 iterations.
- iteration 98: trace = 1.069483717208566 (0.00119522% change)
+ iteration 100: trace = 1.06945923417496 (0.00112617% change)
+ linmin: converged after 6 iterations.
+ iteration 101: trace = 1.069448851327664 (0.000970855% change)
+ linmin: converged after 7 iterations.
+ iteration 102: trace = 1.069440423052233 (0.000788098% change)
linmin: converged after 8 iterations.
- iteration 99: trace = 1.069471278002454 (0.00116311% change)
+ iteration 103: trace = 1.06943341629119 (0.000655182% change)
linmin: converged after 6 iterations.
- iteration 100: trace = 1.069459234328299 (0.00112614% change)
+ iteration 104: trace = 1.069427351691511 (0.000567087% change)
linmin: converged after 8 iterations.
- iteration 101: trace = 1.069448851818544 (0.000970823% change)
+ iteration 105: trace = 1.069421991950771 (0.00050118% change)
linmin: converged after 6 iterations.
- iteration 102: trace = 1.069440423652579 (0.000788088% change)
+ iteration 106: trace = 1.069417237263017 (0.000444605% change)
+ linmin: converged after 5 iterations.
+ iteration 107: trace = 1.069413021661628 (0.000394197% change)
linmin: converged after 7 iterations.
- iteration 103: trace = 1.069433417062416 (0.000655166% change)
+ iteration 108: trace = 1.069409271797955 (0.000350648% change)
+ linmin: converged after 8 iterations.
+ iteration 109: trace = 1.069405907926083 (0.000314555% change)
linmin: converged after 7 iterations.
- iteration 104: trace = 1.069427352560829 (0.000567078% change)
- linmin: converged after 5 iterations.
- iteration 105: trace = 1.069421992889284 (0.000501173% change)
- linmin: converged after 5 iterations.
- iteration 106: trace = 1.069417238258524 (0.000444599% change)
- linmin: converged after 6 iterations.
- iteration 107: trace = 1.069413022711929 (0.000394192% change)
- linmin: converged after 5 iterations.
- iteration 108: trace = 1.069409272903281 (0.000350642% change)
- linmin: converged after 5 iterations.
- iteration 109: trace = 1.069405909086114 (0.00031455% change)
- linmin: converged after 9 iterations.
- iteration 110: trace = 1.069402857543029 (0.00028535% change)
+ iteration 110: trace = 1.069402856330468 (0.000285355% change)
linmin: converged after 6 iterations.
- iteration 111: trace = 1.069400058789466 (0.000261712% change)
+ iteration 111: trace = 1.069400057690149 (0.000261702% change)
linmin: converged after 7 iterations.
- iteration 112: trace = 1.069397468893129 (0.000242182% change)
- linmin: converged after 5 iterations.
- iteration 113: trace = 1.069395056336093 (0.0002256% change)
- linmin: converged after 5 iterations.
- iteration 114: trace = 1.069392796769096 (0.000211294% change)
+ iteration 112: trace = 1.069397467746005 (0.000242187% change)
linmin: converged after 4 iterations.
- iteration 115: trace = 1.069390669235911 (0.000198948% change)
+ iteration 113: trace = 1.069395055147854 (0.000225604% change)
+ linmin: converged after 5 iterations.
+ iteration 114: trace = 1.069392795548008 (0.000211297% change)
linmin: converged after 6 iterations.
- iteration 116: trace = 1.069388653020932 (0.000188539% change)
+ iteration 115: trace = 1.069390667986788 (0.000198951% change)
linmin: converged after 5 iterations.
- iteration 117: trace = 1.069386726767586 (0.000180127% change)
+ iteration 116: trace = 1.069388651793125 (0.000188537% change)
linmin: converged after 5 iterations.
- iteration 118: trace = 1.06938486864618 (0.000173756% change)
- linmin: converged after 7 iterations.
- iteration 119: trace = 1.069383057624751 (0.000169352% change)
+ iteration 117: trace = 1.069386725485558 (0.000180132% change)
linmin: converged after 6 iterations.
- iteration 120: trace = 1.069381274636213 (0.000166731% change)
+ iteration 118: trace = 1.069384867350977 (0.000173757% change)
linmin: converged after 6 iterations.
- iteration 121: trace = 1.069379503886843 (0.000165586% change)
+ iteration 119: trace = 1.069383056347029 (0.00016935% change)
+ linmin: converged after 5 iterations.
+ iteration 120: trace = 1.069381273352052 (0.000166731% change)
linmin: converged after 6 iterations.
- iteration 122: trace = 1.069377733784665 (0.000165526% change)
+ iteration 121: trace = 1.069379502575999 (0.000165589% change)
+ linmin: converged after 8 iterations.
+ iteration 122: trace = 1.069377732475111 (0.000165526% change)
+ linmin: converged after 9 iterations.
+ iteration 123: trace = 1.069375956296534 (0.000166095% change)
linmin: converged after 6 iterations.
- iteration 123: trace = 1.069375957626534 (0.000166093% change)
- linmin: converged after 5 iterations.
- iteration 124: trace = 1.069374173676397 (0.000166822% change)
+ iteration 124: trace = 1.069374172381471 (0.000166818% change)
linmin: converged after 6 iterations.
- iteration 125: trace = 1.069372384828548 (0.00016728% change)
+ iteration 125: trace = 1.069372383543138 (0.000167279% change)
linmin: converged after 6 iterations.
- iteration 126: trace = 1.069370597594982 (0.000167129% change)
- linmin: converged after 3 iterations.
- iteration 127: trace = 1.069368820817571 (0.000166152% change)
+ iteration 126: trace = 1.069370596350157 (0.000167126% change)
+ linmin: converged after 6 iterations.
+ iteration 127: trace = 1.069368819614125 (0.000166148% change)
linmin: converged after 5 iterations.
- iteration 128: trace = 1.069367064200896 (0.000164267% change)
- linmin: converged after 7 iterations.
- iteration 129: trace = 1.069365336945035 (0.000161521% change)
+ iteration 128: trace = 1.069367063038153 (0.000164263% change)
+ linmin: converged after 6 iterations.
+ iteration 129: trace = 1.069365335794284 (0.00016152% change)
linmin: converged after 5 iterations.
- iteration 130: trace = 1.069363646696952 (0.000158061% change)
+ iteration 130: trace = 1.069363645584814 (0.000158057% change)
linmin: converged after 5 iterations.
- iteration 131: trace = 1.069361998925969 (0.000154089% change)
- linmin: converged after 6 iterations.
- iteration 132: trace = 1.069360396730828 (0.000149827% change)
- linmin: converged after 7 iterations.
- iteration 133: trace = 1.069358841023606 (0.00014548% change)
- linmin: converged after 7 iterations.
- iteration 134: trace = 1.069357330847907 (0.000141223% change)
+ iteration 131: trace = 1.069361997825419 (0.000154088% change)
+ linmin: converged after 8 iterations.
+ iteration 132: trace = 1.069360395640989 (0.000149826% change)
+ linmin: converged after 9 iterations.
+ iteration 133: trace = 1.069358839926056 (0.000145481% change)
+ linmin: converged after 10 iterations.
+ iteration 134: trace = 1.069357329779302 (0.00014122% change)
linmin: converged after 7 iterations.
- iteration 135: trace = 1.069355864006598 (0.00013717% change)
- linmin: converged after 4 iterations.
- iteration 136: trace = 1.069354437526572 (0.000133396% change)
+ iteration 135: trace = 1.069355862957836 (0.000137169% change)
linmin: converged after 5 iterations.
- iteration 137: trace = 1.069353048109181 (0.000129931% change)
- linmin: converged after 3 iterations.
- iteration 138: trace = 1.069351692610627 (0.000126759% change)
+ iteration 136: trace = 1.069354436480057 (0.000133396% change)
+ linmin: converged after 8 iterations.
+ iteration 137: trace = 1.069353047073695 (0.00012993% change)
linmin: converged after 5 iterations.
- iteration 139: trace = 1.069350368293581 (0.000123843% change)
+ iteration 138: trace = 1.069351691598919 (0.000126757% change)
+ linmin: converged after 5 iterations.
+ iteration 139: trace = 1.069350367291781 (0.000123842% change)
resetting CG direction...
- large trace change predicted (0.0145453%)
+ large trace change predicted (0.0145455%)
linmin: converged after 4 iterations.
- iteration 140: trace = 1.069194675254351 (0.0145607% change)
- linmin: converged after 3 iterations.
- iteration 141: trace = 1.069117230253728 (0.00724356% change)
+ iteration 140: trace = 1.069194672200936 (0.0145608% change)
linmin: converged after 3 iterations.
- iteration 142: trace = 1.06907543477742 (0.00390942% change)
+ iteration 141: trace = 1.069117227180259 (0.00724357% change)
+ linmin: converged after 5 iterations.
+ iteration 142: trace = 1.069075433321993 (0.00390927% change)
linmin: converged after 3 iterations.
- iteration 143: trace = 1.069028116200702 (0.00442622% change)
+ iteration 143: trace = 1.069028117437097 (0.00442597% change)
+ linmin: converged after 4 iterations.
+ iteration 144: trace = 1.068963768497982 (0.00601957% change)
linmin: converged after 5 iterations.
- iteration 144: trace = 1.068963765860093 (0.0060197% change)
+ iteration 145: trace = 1.068914038466646 (0.00465228% change)
linmin: converged after 5 iterations.
- iteration 145: trace = 1.068914036709401 (0.0046522% change)
+ iteration 146: trace = 1.068856701497523 (0.00536418% change)
+ linmin: converged after 6 iterations.
+ iteration 147: trace = 1.068800655831527 (0.00524365% change)
linmin: converged after 5 iterations.
- iteration 146: trace = 1.068856703439897 (0.00536384% change)
- linmin: converged after 7 iterations.
- iteration 147: trace = 1.068800660800506 (0.00524337% change)
+ iteration 148: trace = 1.068757368858115 (0.00405013% change)
linmin: converged after 5 iterations.
- iteration 148: trace = 1.068757374201714 (0.0040501% change)
+ iteration 149: trace = 1.06871741209543 (0.00373869% change)
linmin: converged after 5 iterations.
- iteration 149: trace = 1.068717416830468 (0.00373875% change)
+ iteration 150: trace = 1.06867892647319 (0.00360117% change)
linmin: converged after 5 iterations.
- iteration 150: trace = 1.068678930702913 (0.00360122% change)
- linmin: converged after 3 iterations.
- iteration 151: trace = 1.06865468902115 (0.0022684% change)
- linmin: converged after 3 iterations.
- iteration 152: trace = 1.068642740734154 (0.00111807% change)
- linmin: converged after 3 iterations.
- iteration 153: trace = 1.068637177274113 (0.000520611% change)
- linmin: converged after 4 iterations.
- iteration 154: trace = 1.068633794922339 (0.000316511% change)
- linmin: converged after 7 iterations.
- iteration 155: trace = 1.06863106225878 (0.000255716% change)
+ iteration 151: trace = 1.068654685720936 (0.00226832% change)
linmin: converged after 5 iterations.
- iteration 156: trace = 1.068628610397833 (0.00022944% change)
+ iteration 152: trace = 1.068642738115688 (0.00111801% change)
linmin: converged after 5 iterations.
- iteration 157: trace = 1.068627264760187 (0.000125922% change)
+ iteration 153: trace = 1.068637175261485 (0.000520555% change)
+ linmin: converged after 9 iterations.
+ iteration 154: trace = 1.068633793641155 (0.000316443% change)
linmin: converged after 5 iterations.
- iteration 158: trace = 1.068626757593553 (4.74596e-05% change)
- linmin: converged after 2 iterations.
- iteration 159: trace = 1.068626630692736 (1.18751e-05% change)
- linmin: converged after 6 iterations.
- iteration 160: trace = 1.06862659818787 (3.04174e-06% change)
- linmin: converged after 7 iterations.
- iteration 161: trace = 1.068626583524319 (1.37219e-06% change)
- linmin: converged after 4 iterations.
- iteration 162: trace = 1.068626572372177 (1.0436e-06% change)
- linmin: converged after 17 iterations.
- iteration 163: trace = 1.068626562833234 (8.92636e-07% change)
- linmin: converged after 4 iterations.
- iteration 164: trace = 1.068626555544765 (6.82041e-07% change)
+ iteration 155: trace = 1.068631061597097 (0.000255658% change)
+ linmin: converged after 5 iterations.
+ iteration 156: trace = 1.068628610214573 (0.000229395% change)
+ linmin: converged after 5 iterations.
+ iteration 157: trace = 1.068627264705593 (0.00012591% change)
linmin: converged after 4 iterations.
- iteration 165: trace = 1.068626551016004 (4.23793e-07% change)
- linmin: converged after 18 iterations.
- iteration 166: trace = 1.068626547261434 (3.51345e-07% change)
+ iteration 158: trace = 1.068626757565474 (4.74572e-05% change)
+ linmin: converged after 6 iterations.
+ iteration 159: trace = 1.068626630672032 (1.18744e-05% change)
+ linmin: converged after 8 iterations.
+ iteration 160: trace = 1.068626598168096 (3.04166e-06% change)
linmin: converged after 4 iterations.
- iteration 167: trace = 1.068626545003543 (2.11289e-07% change)
+ iteration 161: trace = 1.06862658350739 (1.37192e-06% change)
linmin: converged after 4 iterations.
- iteration 168: trace = 1.068626543627342 (1.28782e-07% change)
+ iteration 162: trace = 1.068626572358528 (1.04329e-06% change)
+ linmin: converged after 5 iterations.
+ iteration 163: trace = 1.06862656282348 (8.92271e-07% change)
+ linmin: converged after 5 iterations.
+ iteration 164: trace = 1.06862655553583 (6.81964e-07% change)
+ linmin: converged after 5 iterations.
+ iteration 165: trace = 1.068626551007521 (4.2375e-07% change)
linmin: converged after 4 iterations.
- iteration 169: trace = 1.068626542452444 (1.09945e-07% change)
+ iteration 166: trace = 1.068626547254211 (3.51227e-07% change)
+ linmin: converged after 5 iterations.
+ iteration 167: trace = 1.068626544996587 (2.11264e-07% change)
+ linmin: converged after 5 iterations.
+ iteration 168: trace = 1.068626543620605 (1.28762e-07% change)
+ linmin: converged after 7 iterations.
+ iteration 169: trace = 1.068626542445714 (1.09944e-07% change)
+ linmin: converged after 9 iterations.
+ iteration 170: trace = 1.06862654076488 (1.57289e-07% change)
+ large trace change predicted (3.14977e-07%)
+ linmin: converged after 24 iterations.
+ iteration 171: trace = 1.068626537399951 (3.14884e-07% change)
linmin: converged after 4 iterations.
- iteration 170: trace = 1.068626540770191 (1.57422e-07% change)
- large trace change predicted (3.15125e-07%)
- linmin: converged after 3 iterations.
- iteration 171: trace = 1.068626537403159 (3.1508e-07% change)
+ iteration 172: trace = 1.068626533718157 (3.44535e-07% change)
linmin: converged after 4 iterations.
- iteration 172: trace = 1.068626533718485 (3.44805e-07% change)
- linmin: converged after 5 iterations.
- iteration 173: trace = 1.068626531659319 (1.92693e-07% change)
+ iteration 173: trace = 1.068626531658123 (1.92774e-07% change)
+ linmin: converged after 6 iterations.
+ iteration 174: trace = 1.068626530812102 (7.91691e-08% change)
linmin: converged after 12 iterations.
- iteration 174: trace = 1.068626530813899 (7.91128e-08% change)
+ iteration 175: trace = 1.068626530492099 (2.99452e-08% change)
+ linmin: converged after 9 iterations.
+ iteration 176: trace = 1.068626530327507 (1.54022e-08% change)
linmin: converged after 4 iterations.
- iteration 175: trace = 1.068626530493501 (2.99822e-08% change)
- linmin: converged after 8 iterations.
- iteration 176: trace = 1.068626530327915 (1.54952e-08% change)
+ iteration 177: trace = 1.068626530253259 (6.94804e-09% change)
linmin: converged after 7 iterations.
- iteration 177: trace = 1.068626530255735 (6.75449e-09% change)
- linmin: converged after 8 iterations.
- iteration 178: trace = 1.068626530159325 (9.02182e-09% change)
- large trace change predicted (2.1269e-08%)
+ iteration 178: trace = 1.068626530158072 (8.90737e-09% change)
+ large trace change predicted (2.1289e-08%)
linmin: converged after 3 iterations.
- iteration 179: trace = 1.06862652993207 (2.12661e-08% change)
- linmin: converged after 4 iterations.
- iteration 180: trace = 1.06862652955126 (3.56355e-08% change)
+ iteration 179: trace = 1.068626529930754 (2.1272e-08% change)
+ linmin: converged after 15 iterations.
+ iteration 180: trace = 1.068626529548319 (3.57875e-08% change)
+ linmin: converged after 6 iterations.
+ iteration 181: trace = 1.068626528964314 (5.46501e-08% change)
+ linmin: converged after 3 iterations.
+ iteration 182: trace = 1.068626528417228 (5.11952e-08% change)
linmin: converged after 4 iterations.
- iteration 181: trace = 1.068626528972186 (5.41886e-08% change)
- linmin: converged after 13 iterations.
- iteration 182: trace = 1.068626528427956 (5.0928e-08% change)
+ iteration 183: trace = 1.068626527716322 (6.55895e-08% change)
linmin: converged after 4 iterations.
- iteration 183: trace = 1.068626527725372 (6.57464e-08% change)
- linmin: converged after 17 iterations.
- iteration 184: trace = 1.068626526903829 (7.68784e-08% change)
- linmin: converged after 5 iterations.
- iteration 185: trace = 1.068626526188851 (6.69063e-08% change)
- linmin: converged after 22 iterations.
- iteration 186: trace = 1.068626525702495 (4.55123e-08% change)
- linmin: converged after 7 iterations.
- iteration 187: trace = 1.068626525446816 (2.39259e-08% change)
- linmin: converged after 5 iterations.
- iteration 188: trace = 1.068626525377523 (6.48431e-09% change)
- linmin: converged after 4 iterations.
- iteration 189: trace = 1.068626525351376 (2.44673e-09% change)
+ iteration 184: trace = 1.06862652689721 (7.66509e-08% change)
linmin: converged after 3 iterations.
- iteration 190: trace = 1.068626525337289 (1.31829e-09% change)
- linmin: converged after 5 iterations.
- iteration 191: trace = 1.068626525323919 (1.25109e-09% change)
- linmin: converged after 5 iterations.
- iteration 192: trace = 1.068626525309889 (1.31289e-09% change)
+ iteration 185: trace = 1.068626526186427 (6.65138e-08% change)
+ linmin: converged after 15 iterations.
+ iteration 186: trace = 1.068626525702615 (4.52742e-08% change)
linmin: converged after 3 iterations.
- iteration 193: trace = 1.068626525301902 (7.47403e-10% change)
+ iteration 187: trace = 1.068626525445696 (2.4042e-08% change)
linmin: converged after 3 iterations.
- iteration 194: trace = 1.068626525299489 (2.25842e-10% change)
- linmin: converged after 5 iterations.
- iteration 195: trace = 1.068626525298474 (9.49993e-11% change)
+ iteration 188: trace = 1.068626525378945 (6.24643e-09% change)
+ linmin: converged after 3 iterations.
+ iteration 189: trace = 1.068626525351855 (2.53498e-09% change)
+ linmin: converged after 3 iterations.
+ iteration 190: trace = 1.068626525338215 (1.27644e-09% change)
+ linmin: converged after 4 iterations.
+ iteration 191: trace = 1.068626525323278 (1.39781e-09% change)
+ linmin: converged after 3 iterations.
+ iteration 192: trace = 1.068626525309726 (1.26813e-09% change)
+ linmin: converged after 4 iterations.
+ iteration 193: trace = 1.068626525303432 (5.88946e-10% change)
+ linmin: converged after 3 iterations.
+ iteration 194: trace = 1.068626525299555 (3.62876e-10% change)
+ linmin: converged after 4 iterations.
+ iteration 195: trace = 1.068626525299044 (4.77698e-11% change)
Finished solving for bands 1 to 5 after 195 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: 1.4533374309539795
+elapsed time for k point: 32.71226191520691
solve_kpoint (0,0.4,0.4):
Solving for bands 1 to 5...
linmin: converged after 5 iterations.
- iteration 1: trace = 1.096763739673433 (4.83164% change)
+ iteration 1: trace = 1.096763739714435 (4.83164% change)
linmin: converged after 4 iterations.
- iteration 2: trace = 1.082691277204076 (1.29137% change)
+ iteration 2: trace = 1.082691277220374 (1.29137% change)
linmin: converged after 3 iterations.
- iteration 3: trace = 1.079957258274913 (0.25284% change)
+ iteration 3: trace = 1.07995725828511 (0.25284% change)
linmin: converged after 5 iterations.
- iteration 4: trace = 1.077647734906971 (0.214082% change)
+ iteration 4: trace = 1.077647734912909 (0.214082% change)
linmin: converged after 4 iterations.
- iteration 5: trace = 1.076735252406284 (0.0847094% change)
+ iteration 5: trace = 1.076735252410888 (0.0847094% change)
linmin: converged after 5 iterations.
- iteration 6: trace = 1.075213698394248 (0.141412% change)
+ iteration 6: trace = 1.075213698395311 (0.141412% change)
linmin: converged after 4 iterations.
- iteration 7: trace = 1.074492218821799 (0.0671236% change)
+ iteration 7: trace = 1.074492218822376 (0.0671236% change)
linmin: converged after 3 iterations.
- iteration 8: trace = 1.074213739470217 (0.0259207% change)
+ iteration 8: trace = 1.07421373947036 (0.0259207% change)
linmin: converged after 3 iterations.
- iteration 9: trace = 1.074138188248154 (0.00703341% change)
+ iteration 9: trace = 1.074138188248215 (0.00703341% change)
linmin: converged after 4 iterations.
- iteration 10: trace = 1.074123932233194 (0.00132721% change)
+ iteration 10: trace = 1.074123932233192 (0.00132721% change)
linmin: converged after 4 iterations.
- iteration 11: trace = 1.074120393731402 (0.000329432% change)
+ iteration 11: trace = 1.074120393731372 (0.000329432% change)
linmin: converged after 4 iterations.
- iteration 12: trace = 1.074119608457271 (7.31086e-05% change)
+ iteration 12: trace = 1.07411960845723 (7.31086e-05% change)
linmin: converged after 2 iterations.
- iteration 13: trace = 1.074119350200989 (2.40435e-05% change)
- linmin: converged after 23 iterations.
- iteration 14: trace = 1.074119193441808 (1.45942e-05% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 1.074119086974381 (9.91207e-06% change)
- linmin: converged after 6 iterations.
- iteration 16: trace = 1.074118998456916 (8.24094e-06% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 1.074118951618436 (4.36064e-06% change)
+ iteration 13: trace = 1.074119350200927 (2.40435e-05% change)
+ linmin: converged after 13 iterations.
+ iteration 14: trace = 1.074119193441737 (1.45942e-05% change)
+ linmin: converged after 27 iterations.
+ iteration 15: trace = 1.074119086974316 (9.91207e-06% change)
+ linmin: converged after 18 iterations.
+ iteration 16: trace = 1.074118998457055 (8.24092e-06% change)
+ linmin: converged after 5 iterations.
+ iteration 17: trace = 1.074118951618513 (4.36065e-06% change)
linmin: converged after 2 iterations.
- iteration 18: trace = 1.074118930564172 (1.96014e-06% change)
+ iteration 18: trace = 1.074118930564162 (1.96015e-06% change)
linmin: converged after 2 iterations.
- iteration 19: trace = 1.074118922698118 (7.32326e-07% change)
+ iteration 19: trace = 1.074118922698096 (7.32327e-07% change)
linmin: converged after 2 iterations.
- iteration 20: trace = 1.07411892043466 (2.10727e-07% change)
+ iteration 20: trace = 1.074118920434621 (2.10728e-07% change)
+ linmin: converged after 6 iterations.
+ iteration 21: trace = 1.074118919547732 (8.2569e-08% change)
linmin: converged after 2 iterations.
- iteration 21: trace = 1.074118919547777 (8.25684e-08% change)
+ iteration 22: trace = 1.074118918877308 (6.24162e-08% change)
linmin: converged after 2 iterations.
- iteration 22: trace = 1.074118918877372 (6.24144e-08% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 1.074118918119953 (7.05154e-08% change)
+ iteration 23: trace = 1.074118918119876 (7.05165e-08% change)
linmin: converged after 2 iterations.
- iteration 24: trace = 1.074118917268398 (7.92794e-08% change)
+ iteration 24: trace = 1.074118917268323 (7.92793e-08% change)
linmin: converged after 2 iterations.
- iteration 25: trace = 1.074118916472551 (7.4093e-08% change)
+ iteration 25: trace = 1.074118916472489 (7.40917e-08% change)
linmin: converged after 2 iterations.
- iteration 26: trace = 1.074118915070759 (1.30506e-07% change)
- large trace change predicted (3.47242e-07%)
+ iteration 26: trace = 1.074118915070731 (1.30503e-07% change)
+ large trace change predicted (3.47228e-07%)
linmin: converged after 2 iterations.
- iteration 27: trace = 1.074118911340963 (3.47242e-07% change)
- large trace change predicted (1.06063e-06%)
+ iteration 27: trace = 1.074118911341084 (3.47229e-07% change)
+ large trace change predicted (1.06055e-06%)
linmin: converged after 2 iterations.
- iteration 28: trace = 1.074118899948507 (1.06063e-06% change)
- large trace change predicted (3.74565e-06%)
- linmin: converged after 4 iterations.
- iteration 29: trace = 1.074118859717751 (3.74547e-06% change)
- large trace change predicted (2.30255e-05%)
- linmin: converged after 4 iterations.
- iteration 30: trace = 1.074118613428314 (2.29294e-05% change)
- near maximum in trace
- linmin: converged after 16 iterations.
- iteration 31: trace = 1.074108656698122 (0.000926972% change)
+ iteration 28: trace = 1.074118899949536 (1.06055e-06% change)
+ large trace change predicted (3.74502e-06%)
+ linmin: converged after 3 iterations.
+ iteration 29: trace = 1.074118859725554 (3.74484e-06% change)
+ large trace change predicted (2.30121e-05%)
linmin: converged after 5 iterations.
- iteration 32: trace = 1.074107966544532 (6.42536e-05% change)
- linmin: converged after 4 iterations.
- iteration 33: trace = 1.07410727472049 (6.44092e-05% change)
- linmin: converged after 10 iterations.
- iteration 34: trace = 1.074106574009499 (6.52366e-05% change)
- linmin: converged after 6 iterations.
- iteration 35: trace = 1.074105855523687 (6.68915e-05% change)
+ iteration 30: trace = 1.074118613577724 (2.29163e-05% change)
+ near maximum in trace
+ linmin: converged after 13 iterations.
+ iteration 31: trace = 1.074108654723984 (0.000927169% change)
+ linmin: converged after 8 iterations.
+ iteration 32: trace = 1.074107964424338 (6.42672e-05% change)
linmin: converged after 7 iterations.
- iteration 36: trace = 1.074105112605725 (6.91662e-05% change)
- linmin: converged after 10 iterations.
- iteration 37: trace = 1.074104342094742 (7.17352e-05% change)
+ iteration 33: trace = 1.074107272412818 (6.44266e-05% change)
+ linmin: converged after 5 iterations.
+ iteration 34: trace = 1.074106571471413 (6.52581e-05% change)
linmin: converged after 8 iterations.
- iteration 38: trace = 1.0741035448338 (7.42257e-05% change)
+ iteration 35: trace = 1.074105852707999 (6.69174e-05% change)
linmin: converged after 6 iterations.
- iteration 39: trace = 1.074102725502528 (7.62805e-05% change)
+ iteration 36: trace = 1.074105109461725 (6.91968e-05% change)
linmin: converged after 6 iterations.
- iteration 40: trace = 1.074101891626886 (7.76347e-05% change)
+ iteration 37: trace = 1.0741043385726 (7.17704e-05% change)
linmin: converged after 6 iterations.
- iteration 41: trace = 1.074101052043556 (7.81661e-05% change)
+ iteration 38: trace = 1.074103540892071 (7.42647e-05% change)
linmin: converged after 6 iterations.
- iteration 42: trace = 1.074100215512912 (7.7882e-05% change)
- linmin: converged after 5 iterations.
- iteration 43: trace = 1.074099390029498 (7.68535e-05% change)
+ iteration 39: trace = 1.074102721116606 (7.63219e-05% change)
linmin: converged after 6 iterations.
- iteration 44: trace = 1.07409858279094 (7.5155e-05% change)
- linmin: converged after 5 iterations.
- iteration 45: trace = 1.074097800360144 (7.28454e-05% change)
- linmin: converged after 5 iterations.
- iteration 46: trace = 1.074097048603555 (6.99896e-05% change)
+ iteration 40: trace = 1.074101886794994 (7.76762e-05% change)
+ linmin: converged after 6 iterations.
+ iteration 41: trace = 1.074101046787423 (7.82056e-05% change)
+ linmin: converged after 6 iterations.
+ iteration 42: trace = 1.074100209873489 (7.79176e-05% change)
+ linmin: converged after 6 iterations.
+ iteration 43: trace = 1.074099384060022 (7.68842e-05% change)
+ linmin: converged after 6 iterations.
+ iteration 44: trace = 1.074098576549985 (7.51802e-05% change)
+ linmin: converged after 4 iterations.
+ iteration 45: trace = 1.074097793906102 (7.28652e-05% change)
+ linmin: converged after 6 iterations.
+ iteration 46: trace = 1.074097041990257 (7.00044e-05% change)
+ linmin: converged after 6 iterations.
+ iteration 47: trace = 1.074096325593049 (6.66976e-05% change)
+ linmin: converged after 4 iterations.
+ iteration 48: trace = 1.074095647953676 (6.30893e-05% change)
linmin: converged after 5 iterations.
- iteration 47: trace = 1.074096332319352 (6.66871e-05% change)
+ iteration 49: trace = 1.07409501044025 (5.93535e-05% change)
+ linmin: converged after 4 iterations.
+ iteration 50: trace = 1.074094412542477 (5.56653e-05% change)
+ linmin: converged after 6 iterations.
+ iteration 51: trace = 1.074093852160968 (5.21725e-05% change)
linmin: converged after 5 iterations.
- iteration 48: trace = 1.074095654755912 (6.30822e-05% change)
+ iteration 52: trace = 1.074093326068317 (4.89801e-05% change)
linmin: converged after 5 iterations.
- iteration 49: trace = 1.074095017290545 (5.9349e-05% change)
+ iteration 53: trace = 1.07409283040426 (4.61472e-05% change)
+ linmin: converged after 6 iterations.
+ iteration 54: trace = 1.074092361107019 (4.36924e-05% change)
linmin: converged after 5 iterations.
- iteration 50: trace = 1.074094419421247 (5.56626e-05% change)
+ iteration 55: trace = 1.074091914239057 (4.16042e-05% change)
linmin: converged after 6 iterations.
- iteration 51: trace = 1.0740938590551 (5.2171e-05% change)
+ iteration 56: trace = 1.074091486203431 (3.98509e-05% change)
+ linmin: converged after 11 iterations.
+ iteration 57: trace = 1.074091073868095 (3.83892e-05% change)
+ linmin: converged after 4 iterations.
+ iteration 58: trace = 1.074090674622949 (3.71705e-05% change)
linmin: converged after 5 iterations.
- iteration 52: trace = 1.074093332969372 (4.89795e-05% change)
+ iteration 59: trace = 1.074090286370427 (3.61471e-05% change)
linmin: converged after 5 iterations.
- iteration 53: trace = 1.07409283730664 (4.61471e-05% change)
- linmin: converged after 7 iterations.
- iteration 54: trace = 1.074092368006907 (4.36927e-05% change)
+ iteration 60: trace = 1.074089907515096 (3.52722e-05% change)
linmin: converged after 5 iterations.
- iteration 55: trace = 1.074091921153065 (4.16029e-05% change)
+ iteration 61: trace = 1.074089536896985 (3.45053e-05% change)
linmin: converged after 6 iterations.
- iteration 56: trace = 1.074091493108769 (3.98517e-05% change)
+ iteration 62: trace = 1.074089173728303 (3.38118e-05% change)
linmin: converged after 6 iterations.
- iteration 57: trace = 1.074091080761861 (3.83903e-05% change)
- linmin: converged after 8 iterations.
- iteration 58: trace = 1.074090681508481 (3.71713e-05% change)
- linmin: converged after 9 iterations.
- iteration 59: trace = 1.074090293246655 (3.6148e-05% change)
- linmin: converged after 4 iterations.
- iteration 60: trace = 1.074089914377591 (3.52735e-05% change)
- linmin: converged after 6 iterations.
- iteration 61: trace = 1.07408954373525 (3.45076e-05% change)
- linmin: converged after 6 iterations.
- iteration 62: trace = 1.074089180545008 (3.38138e-05% change)
+ iteration 63: trace = 1.074088817519624 (3.31638e-05% change)
linmin: converged after 6 iterations.
- iteration 63: trace = 1.074088824311394 (3.31661e-05% change)
+ iteration 64: trace = 1.074088468010824 (3.254e-05% change)
linmin: converged after 6 iterations.
- iteration 64: trace = 1.074088474770379 (3.2543e-05% change)
- linmin: converged after 10 iterations.
- iteration 65: trace = 1.074088131812889 (3.19301e-05% change)
- linmin: converged after 6 iterations.
- iteration 66: trace = 1.074087795424909 (3.13185e-05% change)
- linmin: converged after 5 iterations.
- iteration 67: trace = 1.074087465637336 (3.0704e-05% change)
+ iteration 65: trace = 1.074088125087727 (3.19269e-05% change)
linmin: converged after 5 iterations.
- iteration 68: trace = 1.074087142486525 (3.00861e-05% change)
+ iteration 66: trace = 1.074087788736017 (3.13151e-05% change)
+ linmin: converged after 6 iterations.
+ iteration 67: trace = 1.074087458983267 (3.07007e-05% change)
linmin: converged after 5 iterations.
- iteration 69: trace = 1.074086825997921 (2.94658e-05% change)
+ iteration 68: trace = 1.074087135872057 (3.00824e-05% change)
+ linmin: converged after 9 iterations.
+ iteration 69: trace = 1.074086819424619 (2.9462e-05% change)
resetting CG direction...
- large trace change predicted (0.00552424%)
+ large trace change predicted (0.00552481%)
linmin: converged after 5 iterations.
- iteration 70: trace = 1.074027485246541 (0.00552492% change)
+ iteration 70: trace = 1.07402747251898 (0.00552549% change)
linmin: converged after 5 iterations.
- iteration 71: trace = 1.073989958737312 (0.00349406% change)
- linmin: converged after 13 iterations.
- iteration 72: trace = 1.073965818187449 (0.00224777% change)
- linmin: converged after 10 iterations.
- iteration 73: trace = 1.073953308962991 (0.00116478% change)
- linmin: converged after 4 iterations.
- iteration 74: trace = 1.073950636146785 (0.000248877% change)
- linmin: converged after 4 iterations.
- iteration 75: trace = 1.07394945674702 (0.000109819% change)
+ iteration 71: trace = 1.07398995041125 (0.00349365% change)
+ linmin: converged after 12 iterations.
+ iteration 72: trace = 1.073965817824879 (0.00224703% change)
+ linmin: converged after 5 iterations.
+ iteration 73: trace = 1.073953308448255 (0.00116479% change)
linmin: converged after 4 iterations.
- iteration 76: trace = 1.073948845911354 (5.68775e-05% change)
+ iteration 74: trace = 1.073950635285913 (0.000248909% change)
linmin: converged after 3 iterations.
- iteration 77: trace = 1.073948013434697 (7.75155e-05% change)
- linmin: converged after 10 iterations.
- iteration 78: trace = 1.073947355326739 (6.12793e-05% change)
+ iteration 75: trace = 1.073949455745053 (0.000109832% change)
+ linmin: converged after 3 iterations.
+ iteration 76: trace = 1.07394884485721 (5.68824e-05% change)
+ linmin: converged after 3 iterations.
+ iteration 77: trace = 1.073948012638046 (7.74915e-05% change)
linmin: converged after 3 iterations.
- iteration 79: trace = 1.073947065924636 (2.69475e-05% change)
+ iteration 78: trace = 1.073947354176622 (6.13122e-05% change)
+ linmin: converged after 8 iterations.
+ iteration 79: trace = 1.073947064791119 (2.6946e-05% change)
linmin: converged after 5 iterations.
- iteration 80: trace = 1.073946951589583 (1.06462e-05% change)
- linmin: converged after 7 iterations.
- iteration 81: trace = 1.07394690485856 (4.35133e-06% change)
- linmin: converged after 28 iterations.
- iteration 82: trace = 1.073946875649276 (2.71981e-06% change)
+ iteration 80: trace = 1.073946950419187 (1.06497e-05% change)
linmin: converged after 2 iterations.
- iteration 83: trace = 1.073946858778201 (1.57094e-06% change)
- linmin: converged after 4 iterations.
- iteration 84: trace = 1.073946850180914 (8.00532e-07% change)
- linmin: converged after 4 iterations.
- iteration 85: trace = 1.073946845819172 (4.06141e-07% change)
- linmin: converged after 23 iterations.
- iteration 86: trace = 1.073946842398289 (3.18534e-07% change)
+ iteration 81: trace = 1.073946903710584 (4.34925e-06% change)
linmin: converged after 4 iterations.
- iteration 87: trace = 1.073946838808701 (3.34243e-07% change)
- large trace change predicted (7.2606e-07%)
- linmin: converged after 4 iterations.
- iteration 88: trace = 1.073946831011176 (7.26062e-07% change)
- large trace change predicted (1.48005e-06%)
+ iteration 82: trace = 1.073946874503159 (2.71963e-06% change)
+ linmin: converged after 3 iterations.
+ iteration 83: trace = 1.073946857634503 (1.57072e-06% change)
+ linmin: converged after 2 iterations.
+ iteration 84: trace = 1.073946849036259 (8.00621e-07% change)
linmin: converged after 4 iterations.
- iteration 89: trace = 1.073946815116237 (1.48005e-06% change)
- large trace change predicted (4.36795e-06%)
+ iteration 85: trace = 1.073946844676049 (4.05999e-07% change)
+ linmin: converged after 3 iterations.
+ iteration 86: trace = 1.073946841259404 (3.18139e-07% change)
linmin: converged after 4 iterations.
- iteration 90: trace = 1.073946768207491 (4.36788e-06% change)
+ iteration 87: trace = 1.073946837676255 (3.33643e-07% change)
+ large trace change predicted (7.24233e-07%)
+ linmin: converged after 2 iterations.
+ iteration 88: trace = 1.073946829898374 (7.24233e-07% change)
+ large trace change predicted (1.47626e-06%)
linmin: converged after 4 iterations.
- iteration 91: trace = 1.073946679646164 (8.24634e-06% change)
- linmin: converged after 11 iterations.
- iteration 92: trace = 1.073946529630115 (1.39687e-05% change)
- linmin: converged after 12 iterations.
- iteration 93: trace = 1.07394636658434 (1.51819e-05% change)
+ iteration 89: trace = 1.073946814044193 (1.47625e-06% change)
+ large trace change predicted (4.35024e-06%)
+ linmin: converged after 5 iterations.
+ iteration 90: trace = 1.073946767325633 (4.35017e-06% change)
linmin: converged after 4 iterations.
- iteration 94: trace = 1.073946256689029 (1.02328e-05% change)
+ iteration 91: trace = 1.073946679145813 (8.21082e-06% change)
+ linmin: converged after 13 iterations.
+ iteration 92: trace = 1.07394653002807 (1.3885e-05% change)
+ linmin: converged after 3 iterations.
+ iteration 93: trace = 1.073946367807594 (1.51051e-05% change)
+ linmin: converged after 18 iterations.
+ iteration 94: trace = 1.073946258178413 (1.02081e-05% change)
+ linmin: converged after 8 iterations.
+ iteration 95: trace = 1.073946152215409 (9.8667e-06% change)
+ linmin: converged after 5 iterations.
+ iteration 96: trace = 1.073946055252216 (9.02868e-06% change)
linmin: converged after 6 iterations.
- iteration 95: trace = 1.073946150917233 (9.84889e-06% change)
- linmin: converged after 4 iterations.
- iteration 96: trace = 1.073946054412507 (8.98599e-06% change)
- linmin: converged after 4 iterations.
- iteration 97: trace = 1.073945952991739 (9.44375e-06% change)
- linmin: converged after 4 iterations.
- iteration 98: trace = 1.073945869427394 (7.78106e-06% change)
+ iteration 97: trace = 1.073945953332349 (9.49022e-06% change)
+ linmin: converged after 3 iterations.
+ iteration 98: trace = 1.073945869470469 (7.80876e-06% change)
linmin: converged after 5 iterations.
- iteration 99: trace = 1.073945843514159 (2.4129e-06% change)
+ iteration 99: trace = 1.073945843524601 (2.41594e-06% change)
linmin: converged after 4 iterations.
- iteration 100: trace = 1.073945837383465 (5.70857e-07% change)
- linmin: converged after 4 iterations.
- iteration 101: trace = 1.073945836402172 (9.13727e-08% change)
- linmin: converged after 5 iterations.
- iteration 102: trace = 1.073945836058164 (3.20322e-08% change)
+ iteration 100: trace = 1.073945837385287 (5.7166e-07% change)
+ linmin: converged after 12 iterations.
+ iteration 101: trace = 1.073945836402898 (9.14748e-08% change)
linmin: converged after 4 iterations.
- iteration 103: trace = 1.073945835877889 (1.67862e-08% change)
- linmin: converged after 15 iterations.
- iteration 104: trace = 1.073945835763829 (1.06206e-08% change)
- linmin: converged after 8 iterations.
- iteration 105: trace = 1.073945835716369 (4.41928e-09% change)
+ iteration 102: trace = 1.073945836058465 (3.20717e-08% change)
+ linmin: converged after 24 iterations.
+ iteration 103: trace = 1.073945835877968 (1.68069e-08% change)
+ linmin: converged after 19 iterations.
+ iteration 104: trace = 1.073945835763839 (1.06271e-08% change)
linmin: converged after 6 iterations.
- iteration 106: trace = 1.073945835701656 (1.36996e-09% change)
+ iteration 105: trace = 1.073945835716336 (4.42319e-09% change)
linmin: converged after 4 iterations.
- iteration 107: trace = 1.073945835696756 (4.56248e-10% change)
- linmin: converged after 5 iterations.
- iteration 108: trace = 1.073945835694339 (2.25054e-10% change)
- linmin: converged after 16 iterations.
- iteration 109: trace = 1.073945835692627 (1.59471e-10% change)
+ iteration 106: trace = 1.073945835701639 (1.36856e-09% change)
linmin: converged after 4 iterations.
- iteration 110: trace = 1.073945835691451 (1.09477e-10% change)
+ iteration 107: trace = 1.073945835696723 (4.57737e-10% change)
linmin: converged after 3 iterations.
- iteration 111: trace = 1.073945835690736 (6.6534e-11% change)
+ iteration 108: trace = 1.07394583569429 (2.26522e-10% change)
+ linmin: converged after 4 iterations.
+ iteration 109: trace = 1.073945835692681 (1.49795e-10% change)
+ linmin: converged after 2 iterations.
+ iteration 110: trace = 1.07394583569145 (1.14687e-10% change)
+ linmin: converged after 9 iterations.
+ iteration 111: trace = 1.073945835690716 (6.83328e-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: 0.8316891193389893
+elapsed time for k point: 15.83430528640747
solve_kpoint (0,0.5,0.5):
Solving for bands 1 to 5...
- linmin: converged after 7 iterations.
- iteration 1: trace = 1.093863490062953 (5.33663% change)
+ linmin: converged after 5 iterations.
+ iteration 1: trace = 1.093863490315585 (5.33663% change)
linmin: converged after 4 iterations.
- iteration 2: trace = 1.078476777423022 (1.4166% change)
+ iteration 2: trace = 1.078476777229324 (1.4166% change)
linmin: converged after 4 iterations.
- iteration 3: trace = 1.076328696936294 (0.199376% change)
+ iteration 3: trace = 1.076328696786045 (0.199376% change)
linmin: converged after 4 iterations.
- iteration 4: trace = 1.075208255459858 (0.104153% change)
+ iteration 4: trace = 1.075208255370176 (0.104153% change)
linmin: converged after 4 iterations.
- iteration 5: trace = 1.075035171470054 (0.016099% change)
+ iteration 5: trace = 1.075035171401586 (0.016099% change)
linmin: converged after 4 iterations.
- iteration 6: trace = 1.074955695734378 (0.00739312% change)
+ iteration 6: trace = 1.074955695702394 (0.00739312% change)
linmin: converged after 4 iterations.
- iteration 7: trace = 1.074896058827691 (0.005548% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 1.074864563437612 (0.00293013% change)
+ iteration 7: trace = 1.074896058822981 (0.005548% change)
linmin: converged after 4 iterations.
- iteration 9: trace = 1.074852338414874 (0.00113736% change)
+ iteration 8: trace = 1.074864563442296 (0.00293013% change)
linmin: converged after 4 iterations.
- iteration 10: trace = 1.07485001295351 (0.000216352% change)
- linmin: converged after 5 iterations.
- iteration 11: trace = 1.074849426039992 (5.46042e-05% change)
+ iteration 9: trace = 1.074852338420812 (0.00113736% change)
+ linmin: converged after 4 iterations.
+ iteration 10: trace = 1.074850012959476 (0.000216352% change)
+ linmin: converged after 4 iterations.
+ iteration 11: trace = 1.074849426045968 (5.46042e-05% change)
linmin: converged after 6 iterations.
- iteration 12: trace = 1.074849271420711 (1.43852e-05% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 1.074849229303241 (3.91845e-06% change)
+ iteration 12: trace = 1.074849271426672 (1.43852e-05% change)
+ linmin: converged after 4 iterations.
+ iteration 13: trace = 1.074849229309185 (3.91846e-06% change)
linmin: converged after 2 iterations.
- iteration 14: trace = 1.074849215176639 (1.31429e-06% change)
+ iteration 14: trace = 1.074849215182561 (1.31429e-06% change)
linmin: converged after 2 iterations.
- iteration 15: trace = 1.074849211839921 (3.10436e-07% change)
+ iteration 15: trace = 1.074849211845827 (3.10437e-07% change)
linmin: converged after 2 iterations.
- iteration 16: trace = 1.074849210730145 (1.03249e-07% change)
+ iteration 16: trace = 1.07484921073603 (1.03251e-07% change)
linmin: converged after 2 iterations.
- iteration 17: trace = 1.074849209956638 (7.19642e-08% change)
+ iteration 17: trace = 1.074849209962486 (7.19677e-08% change)
linmin: converged after 2 iterations.
- iteration 18: trace = 1.074849209015939 (8.75192e-08% change)
+ iteration 18: trace = 1.074849209021715 (8.75259e-08% change)
linmin: converged after 4 iterations.
- iteration 19: trace = 1.074849207771038 (1.15821e-07% change)
+ iteration 19: trace = 1.0748492077767 (1.15832e-07% change)
linmin: converged after 2 iterations.
- iteration 20: trace = 1.074849206713589 (9.83811e-08% change)
+ iteration 20: trace = 1.074849206719139 (9.83915e-08% change)
linmin: converged after 2 iterations.
- iteration 21: trace = 1.074849205572246 (1.06186e-07% change)
+ iteration 21: trace = 1.074849205577648 (1.062e-07% change)
linmin: converged after 2 iterations.
- iteration 22: trace = 1.074849203568237 (1.86446e-07% change)
+ iteration 22: trace = 1.074849203573379 (1.8647e-07% change)
linmin: converged after 4 iterations.
- iteration 23: trace = 1.074849200243935 (3.09281e-07% change)
+ iteration 23: trace = 1.074849200248625 (3.09323e-07% change)
linmin: converged after 2 iterations.
- iteration 24: trace = 1.074849195281871 (4.61652e-07% change)
+ iteration 24: trace = 1.074849195285907 (4.61713e-07% change)
linmin: converged after 2 iterations.
- iteration 25: trace = 1.074849189783535 (5.11545e-07% change)
- linmin: converged after 2 iterations.
- iteration 26: trace = 1.074849181226479 (7.96117e-07% change)
+ iteration 25: trace = 1.074849189786891 (5.11608e-07% change)
linmin: converged after 4 iterations.
- iteration 27: trace = 1.074849167024555 (1.32129e-06% change)
- linmin: converged after 26 iterations.
- iteration 28: trace = 1.074849153567507 (1.25199e-06% change)
- linmin: converged after 15 iterations.
- iteration 29: trace = 1.07484914574267 (7.27994e-07% change)
+ iteration 26: trace = 1.074849181228871 (7.96207e-07% change)
+ linmin: converged after 30 iterations.
+ iteration 27: trace = 1.074849167025669 (1.32141e-06% change)
+ linmin: converged after 19 iterations.
+ iteration 28: trace = 1.074849153567851 (1.25207e-06% change)
+ linmin: converged after 13 iterations.
+ iteration 29: trace = 1.074849145742755 (7.28018e-07% change)
linmin: converged after 4 iterations.
- iteration 30: trace = 1.07484914229228 (3.21012e-07% change)
- linmin: converged after 2 iterations.
- iteration 31: trace = 1.074849140247109 (1.90275e-07% change)
- linmin: converged after 2 iterations.
- iteration 32: trace = 1.074849138714339 (1.42603e-07% change)
+ iteration 30: trace = 1.074849142292309 (3.21017e-07% change)
+ linmin: converged after 4 iterations.
+ iteration 31: trace = 1.074849140247114 (1.90277e-07% change)
linmin: converged after 2 iterations.
- iteration 33: trace = 1.07484913790628 (7.51788e-08% change)
+ iteration 32: trace = 1.074849138714339 (1.42604e-07% change)
+ linmin: converged after 3 iterations.
+ iteration 33: trace = 1.074849137906284 (7.51785e-08% change)
linmin: converged after 2 iterations.
- iteration 34: trace = 1.074849137608587 (2.76963e-08% change)
+ iteration 34: trace = 1.074849137608583 (2.7697e-08% change)
linmin: converged after 2 iterations.
- iteration 35: trace = 1.074849137533781 (6.95967e-09% change)
+ iteration 35: trace = 1.074849137533781 (6.9593e-09% change)
linmin: converged after 3 iterations.
- iteration 36: trace = 1.074849137516844 (1.57575e-09% change)
- linmin: converged after 4 iterations.
- iteration 37: trace = 1.074849137512893 (3.67613e-10% change)
+ iteration 36: trace = 1.074849137516844 (1.57571e-09% change)
+ linmin: converged after 2 iterations.
+ iteration 37: trace = 1.074849137512895 (3.67427e-10% change)
linmin: converged after 4 iterations.
- iteration 38: trace = 1.074849137511866 (9.55029e-11% change)
+ iteration 38: trace = 1.074849137511867 (9.56888e-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: 0.28838038444519043
+elapsed time for k point: 4.981858968734741
solve_kpoint (0.05,0.55,0.5):
Solving for bands 1 to 5...
linmin: converged after 5 iterations.
- iteration 1: trace = 1.078756946613632 (0.894499% change)
+ iteration 1: trace = 1.078756946613439 (0.894499% change)
linmin: converged after 5 iterations.
- iteration 2: trace = 1.075235337851337 (0.326984% change)
+ iteration 2: trace = 1.07523533785071 (0.326984% change)
linmin: converged after 5 iterations.
- iteration 3: trace = 1.073638839444839 (0.148589% change)
+ iteration 3: trace = 1.073638839444135 (0.148589% change)
linmin: converged after 4 iterations.
- iteration 4: trace = 1.073077825212561 (0.0522672% change)
+ iteration 4: trace = 1.073077825211994 (0.0522672% change)
linmin: converged after 4 iterations.
- iteration 5: trace = 1.072780827453194 (0.027681% change)
+ iteration 5: trace = 1.072780827452753 (0.027681% change)
linmin: converged after 4 iterations.
- iteration 6: trace = 1.0725869933016 (0.01807% change)
+ iteration 6: trace = 1.072586993301281 (0.01807% change)
linmin: converged after 4 iterations.
- iteration 7: trace = 1.07244769196964 (0.0129883% change)
+ iteration 7: trace = 1.072447691969381 (0.0129883% change)
linmin: converged after 4 iterations.
- iteration 8: trace = 1.072393266694897 (0.00507499% change)
+ iteration 8: trace = 1.072393266694636 (0.00507499% change)
linmin: converged after 4 iterations.
- iteration 9: trace = 1.072363251703179 (0.00279892% change)
+ iteration 9: trace = 1.072363251702914 (0.00279892% change)
linmin: converged after 4 iterations.
- iteration 10: trace = 1.072354631926419 (0.000803815% change)
+ iteration 10: trace = 1.072354631926145 (0.000803815% change)
linmin: converged after 4 iterations.
- iteration 11: trace = 1.072350311748191 (0.000402869% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 1.072348215294496 (0.000195501% change)
+ iteration 11: trace = 1.072350311747915 (0.000402869% change)
linmin: converged after 5 iterations.
- iteration 13: trace = 1.072347360457896 (7.97164e-05% change)
+ iteration 12: trace = 1.072348215294225 (0.000195501% change)
linmin: converged after 4 iterations.
- iteration 14: trace = 1.07234690214512 (4.27392e-05% change)
- linmin: converged after 7 iterations.
- iteration 15: trace = 1.072346623506627 (2.5984e-05% change)
+ iteration 13: trace = 1.072347360457624 (7.97164e-05% change)
+ linmin: converged after 5 iterations.
+ iteration 14: trace = 1.072346902144856 (4.27392e-05% change)
linmin: converged after 5 iterations.
- iteration 16: trace = 1.072346159297832 (4.32891e-05% change)
+ iteration 15: trace = 1.072346623506356 (2.5984e-05% change)
+ linmin: converged after 5 iterations.
+ iteration 16: trace = 1.072346159297625 (4.32891e-05% change)
large trace change predicted (0.000101681%)
linmin: converged after 5 iterations.
- iteration 17: trace = 1.072345068911444 (0.000101682% change)
+ iteration 17: trace = 1.07234506891175 (0.000101682% change)
linmin: converged after 5 iterations.
- iteration 18: trace = 1.072342995677928 (0.000193337% change)
+ iteration 18: trace = 1.072342995678537 (0.000193337% change)
+ linmin: converged after 8 iterations.
+ iteration 19: trace = 1.072339903847402 (0.000288325% change)
+ linmin: converged after 26 iterations.
+ iteration 20: trace = 1.072336586525834 (0.000309354% change)
linmin: converged after 6 iterations.
- iteration 19: trace = 1.072339903847039 (0.000288325% change)
- linmin: converged after 23 iterations.
- iteration 20: trace = 1.072336586525598 (0.000309354% change)
- linmin: converged after 11 iterations.
- iteration 21: trace = 1.072331067861508 (0.00051464% change)
- linmin: converged after 16 iterations.
- iteration 22: trace = 1.072320822252125 (0.000955457% change)
+ iteration 21: trace = 1.072331067862006 (0.00051464% change)
+ linmin: converged after 7 iterations.
+ iteration 22: trace = 1.072320822253961 (0.000955457% change)
linmin: converged after 5 iterations.
- iteration 23: trace = 1.072308842032009 (0.00111723% change)
- linmin: converged after 9 iterations.
- iteration 24: trace = 1.072300271285933 (0.000799283% change)
+ iteration 23: trace = 1.072308842032951 (0.00111723% change)
linmin: converged after 4 iterations.
- iteration 25: trace = 1.072297170565468 (0.000289166% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 1.072296311606445 (8.01046e-05% change)
- linmin: converged after 3 iterations.
- iteration 27: trace = 1.072296078653376 (2.17247e-05% change)
- linmin: converged after 2 iterations.
- iteration 28: trace = 1.072296014169118 (6.01366e-06% change)
+ iteration 24: trace = 1.072300271287299 (0.000799283% change)
+ linmin: converged after 4 iterations.
+ iteration 25: trace = 1.072297170565976 (0.000289166% change)
linmin: converged after 3 iterations.
- iteration 29: trace = 1.072295982384193 (2.96419e-06% change)
- linmin: converged after 2 iterations.
- iteration 30: trace = 1.072295961926063 (1.90788e-06% change)
+ iteration 26: trace = 1.072296311606951 (8.01046e-05% change)
linmin: converged after 3 iterations.
- iteration 31: trace = 1.07229595065531 (1.05109e-06% change)
+ iteration 27: trace = 1.072296078653387 (2.17247e-05% change)
linmin: converged after 2 iterations.
- iteration 32: trace = 1.072295945181689 (5.10458e-07% change)
- linmin: converged after 3 iterations.
- iteration 33: trace = 1.072295942506738 (2.4946e-07% change)
- linmin: converged after 3 iterations.
- iteration 34: trace = 1.072295940840406 (1.55398e-07% change)
+ iteration 28: trace = 1.072296014168804 (6.01369e-06% change)
+ linmin: converged after 5 iterations.
+ iteration 29: trace = 1.072295982383637 (2.96422e-06% change)
+ linmin: converged after 5 iterations.
+ iteration 30: trace = 1.072295961925382 (1.90789e-06% change)
+ linmin: converged after 6 iterations.
+ iteration 31: trace = 1.072295950654617 (1.05109e-06% change)
linmin: converged after 2 iterations.
- iteration 35: trace = 1.07229594000241 (7.81497e-08% change)
+ iteration 32: trace = 1.072295945181011 (5.10457e-07% change)
+ linmin: converged after 4 iterations.
+ iteration 33: trace = 1.072295942506064 (2.4946e-07% change)
linmin: converged after 2 iterations.
- iteration 36: trace = 1.07229593966729 (3.12525e-08% change)
+ iteration 34: trace = 1.072295940839723 (1.55399e-07% change)
linmin: converged after 2 iterations.
- iteration 37: trace = 1.072295939535272 (1.23117e-08% change)
+ iteration 35: trace = 1.072295940001731 (7.81494e-08% change)
linmin: converged after 2 iterations.
- iteration 38: trace = 1.072295939490483 (4.17695e-09% change)
- linmin: converged after 3 iterations.
- iteration 39: trace = 1.072295939476572 (1.29734e-09% change)
+ iteration 36: trace = 1.07229593966661 (3.12526e-08% change)
linmin: converged after 3 iterations.
- iteration 40: trace = 1.072295939472061 (4.20609e-10% change)
- linmin: converged after 3 iterations.
- iteration 41: trace = 1.072295939469519 (2.37141e-10% change)
+ iteration 37: trace = 1.072295939534591 (1.23118e-08% change)
linmin: converged after 4 iterations.
- iteration 42: trace = 1.072295939465236 (3.99384e-10% change)
- large trace change predicted (1.11617e-09%)
- linmin: converged after 2 iterations.
- iteration 43: trace = 1.072295939453271 (1.11586e-09% change)
- large trace change predicted (2.52034e-09%)
- linmin: converged after 3 iterations.
- iteration 44: trace = 1.072295939426241 (2.52069e-09% change)
+ iteration 38: trace = 1.072295939489802 (4.17697e-09% change)
linmin: converged after 2 iterations.
- iteration 45: trace = 1.072295939386517 (3.7046e-09% change)
+ iteration 39: trace = 1.072295939475881 (1.29825e-09% change)
linmin: converged after 2 iterations.
- iteration 46: trace = 1.072295939340506 (4.29093e-09% change)
+ iteration 40: trace = 1.072295939471383 (4.19449e-10% change)
+ linmin: converged after 5 iterations.
+ iteration 41: trace = 1.07229593946885 (2.36189e-10% change)
linmin: converged after 2 iterations.
- iteration 47: trace = 1.072295939279455 (5.6935e-09% change)
+ iteration 42: trace = 1.072295939464572 (3.98949e-10% change)
+ large trace change predicted (1.11338e-09%)
linmin: converged after 2 iterations.
- iteration 48: trace = 1.07229593919474 (7.90033e-09% change)
+ iteration 43: trace = 1.072295939452633 (1.1134e-09% change)
+ large trace change predicted (2.51388e-09%)
+ linmin: converged after 4 iterations.
+ iteration 44: trace = 1.072295939425684 (2.51324e-09% change)
linmin: converged after 2 iterations.
- iteration 49: trace = 1.072295939101655 (8.68087e-09% change)
- linmin: converged after 11 iterations.
- iteration 50: trace = 1.072295939034337 (6.2779e-09% change)
+ iteration 45: trace = 1.072295939386053 (3.69592e-09% change)
+ linmin: converged after 3 iterations.
+ iteration 46: trace = 1.072295939340147 (4.28109e-09% change)
+ linmin: converged after 3 iterations.
+ iteration 47: trace = 1.072295939279214 (5.68252e-09% change)
linmin: converged after 2 iterations.
- iteration 51: trace = 1.072295939004894 (2.74586e-09% change)
+ iteration 48: trace = 1.072295939194631 (7.88797e-09% change)
linmin: converged after 4 iterations.
- iteration 52: trace = 1.072295938995441 (8.81514e-10% change)
- linmin: converged after 4 iterations.
- iteration 53: trace = 1.072295938992627 (2.62466e-10% change)
+ iteration 49: trace = 1.07229593910162 (8.67406e-09% change)
+ linmin: converged after 2 iterations.
+ iteration 50: trace = 1.072295939034323 (6.2759e-09% change)
+ linmin: converged after 2 iterations.
+ iteration 51: trace = 1.072295939004894 (2.74454e-09% change)
linmin: converged after 2 iterations.
- iteration 54: trace = 1.072295938991747 (8.20427e-11% change)
+ iteration 52: trace = 1.072295938995438 (8.81804e-10% change)
+ linmin: converged after 6 iterations.
+ iteration 53: trace = 1.072295938992633 (2.61659e-10% change)
+ linmin: converged after 3 iterations.
+ iteration 54: trace = 1.072295938991746 (8.26846e-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: 0.40953826904296875
+elapsed time for k point: 5.782338857650757
solve_kpoint (0.1,0.6,0.5):
Solving for bands 1 to 5...
linmin: converged after 5 iterations.
- iteration 1: trace = 1.073401218504587 (0.802321% change)
+ iteration 1: trace = 1.07340121849938 (0.802321% change)
linmin: converged after 5 iterations.
- iteration 2: trace = 1.070911358181615 (0.232229% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 1.069941901353496 (0.0905673% change)
+ iteration 2: trace = 1.070911358178133 (0.232229% change)
linmin: converged after 4 iterations.
- iteration 4: trace = 1.06955351246923 (0.0363066% change)
+ iteration 3: trace = 1.069941901350898 (0.0905673% change)
linmin: converged after 4 iterations.
- iteration 5: trace = 1.069331087283292 (0.0207982% change)
+ iteration 4: trace = 1.0695535124672 (0.0363066% change)
linmin: converged after 4 iterations.
- iteration 6: trace = 1.069162619783253 (0.0157557% change)
+ iteration 5: trace = 1.06933108728176 (0.0207982% change)
linmin: converged after 4 iterations.
- iteration 7: trace = 1.069053139982915 (0.0102403% change)
+ iteration 6: trace = 1.069162619782233 (0.0157557% change)
linmin: converged after 4 iterations.
- iteration 8: trace = 1.069016273148097 (0.00344861% change)
+ iteration 7: trace = 1.069053139982171 (0.0102403% change)
linmin: converged after 4 iterations.
- iteration 9: trace = 1.068993109652197 (0.00216683% change)
+ iteration 8: trace = 1.069016273147439 (0.00344861% change)
linmin: converged after 4 iterations.
- iteration 10: trace = 1.068984047123368 (0.000847767% change)
+ iteration 9: trace = 1.068993109651599 (0.00216683% change)
linmin: converged after 4 iterations.
- iteration 11: trace = 1.068978800309935 (0.000490824% change)
+ iteration 10: trace = 1.068984047122787 (0.000847767% change)
linmin: converged after 4 iterations.
- iteration 12: trace = 1.068976671401058 (0.000199154% change)
+ iteration 11: trace = 1.068978800309365 (0.000490824% change)
linmin: converged after 5 iterations.
- iteration 13: trace = 1.068976061676143 (5.70382e-05% change)
+ iteration 12: trace = 1.068976671400489 (0.000199154% change)
linmin: converged after 5 iterations.
- iteration 14: trace = 1.068975835503847 (2.11578e-05% change)
+ iteration 13: trace = 1.068976061675592 (5.70382e-05% change)
+ linmin: converged after 5 iterations.
+ iteration 14: trace = 1.068975835503293 (2.11578e-05% change)
linmin: converged after 2 iterations.
- iteration 15: trace = 1.068975752616919 (7.75386e-06% change)
+ iteration 15: trace = 1.068975752616362 (7.75386e-06% change)
linmin: converged after 2 iterations.
- iteration 16: trace = 1.068975691301347 (5.73592e-06% change)
- linmin: converged after 15 iterations.
- iteration 17: trace = 1.068975611585911 (7.45718e-06% change)
+ iteration 16: trace = 1.068975691300797 (5.73592e-06% change)
+ linmin: converged after 5 iterations.
+ iteration 17: trace = 1.068975611585373 (7.45718e-06% change)
linmin: converged after 3 iterations.
- iteration 18: trace = 1.068975504394834 (1.00275e-05% change)
- linmin: converged after 28 iterations.
- iteration 19: trace = 1.068975371946819 (1.23902e-05% change)
+ iteration 18: trace = 1.068975504394309 (1.00275e-05% change)
+ linmin: converged after 9 iterations.
+ iteration 19: trace = 1.068975371946318 (1.23902e-05% change)
linmin: converged after 5 iterations.
- iteration 20: trace = 1.068975238400782 (1.24929e-05% change)
- linmin: converged after 6 iterations.
- iteration 21: trace = 1.068975009008613 (2.14591e-05% change)
+ iteration 20: trace = 1.068975238400299 (1.24929e-05% change)
+ linmin: converged after 4 iterations.
+ iteration 21: trace = 1.068975009008141 (2.14591e-05% change)
large trace change predicted (5.31033e-05%)
linmin: converged after 5 iterations.
- iteration 22: trace = 1.068974441379593 (5.31003e-05% change)
+ iteration 22: trace = 1.068974441379314 (5.31003e-05% change)
large trace change predicted (0.000113315%)
- linmin: converged after 4 iterations.
- iteration 23: trace = 1.06897323035205 (0.000113289% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 1.068971612251336 (0.00015137% change)
- linmin: converged after 5 iterations.
- iteration 25: trace = 1.068970673721642 (8.77975e-05% change)
- linmin: converged after 5 iterations.
- iteration 26: trace = 1.068970296061792 (3.53293e-05% change)
+ linmin: converged after 3 iterations.
+ iteration 23: trace = 1.068973230352277 (0.000113289% change)
linmin: converged after 5 iterations.
- iteration 27: trace = 1.068970144206047 (1.42058e-05% change)
+ iteration 24: trace = 1.068971612251912 (0.00015137% change)
linmin: converged after 5 iterations.
- iteration 28: trace = 1.068970064617408 (7.44536e-06% change)
+ iteration 25: trace = 1.068970673722007 (8.77975e-05% change)
linmin: converged after 5 iterations.
- iteration 29: trace = 1.068970000607616 (5.98799e-06% change)
- linmin: converged after 14 iterations.
- iteration 30: trace = 1.068969962460862 (3.56855e-06% change)
- linmin: converged after 2 iterations.
- iteration 31: trace = 1.068969945599869 (1.57731e-06% change)
- linmin: converged after 2 iterations.
- iteration 32: trace = 1.068969938463743 (6.6757e-07% change)
- linmin: converged after 2 iterations.
- iteration 33: trace = 1.068969934705116 (3.51612e-07% change)
+ iteration 26: trace = 1.068970296061966 (3.53293e-05% change)
+ linmin: converged after 6 iterations.
+ iteration 27: trace = 1.068970144206145 (1.42058e-05% change)
+ linmin: converged after 4 iterations.
+ iteration 28: trace = 1.06897006461748 (7.44536e-06% change)
+ linmin: converged after 4 iterations.
+ iteration 29: trace = 1.068970000607662 (5.98799e-06% change)
+ linmin: converged after 10 iterations.
+ iteration 30: trace = 1.068969962460882 (3.56855e-06% change)
linmin: converged after 2 iterations.
- iteration 34: trace = 1.068969932325579 (2.22601e-07% change)
+ iteration 31: trace = 1.068969945599884 (1.57731e-06% change)
linmin: converged after 2 iterations.
- iteration 35: trace = 1.068969931392089 (8.73261e-08% change)
+ iteration 32: trace = 1.068969938463743 (6.67572e-07% change)
linmin: converged after 2 iterations.
- iteration 36: trace = 1.068969931132226 (2.43097e-08% change)
+ iteration 33: trace = 1.068969934705124 (3.51611e-07% change)
+ linmin: converged after 4 iterations.
+ iteration 34: trace = 1.06896993232558 (2.22602e-07% change)
linmin: converged after 2 iterations.
- iteration 37: trace = 1.068969931062231 (6.54788e-09% change)
- linmin: converged after 3 iterations.
- iteration 38: trace = 1.068969931043937 (1.71137e-09% change)
+ iteration 35: trace = 1.068969931392088 (8.73263e-08% change)
linmin: converged after 3 iterations.
- iteration 39: trace = 1.068969931038528 (5.05981e-10% change)
- linmin: converged after 4 iterations.
- iteration 40: trace = 1.068969931036692 (1.71783e-10% change)
+ iteration 36: trace = 1.068969931132226 (2.43096e-08% change)
+ linmin: converged after 15 iterations.
+ iteration 37: trace = 1.068969931062233 (6.54774e-09% change)
linmin: converged after 4 iterations.
- iteration 41: trace = 1.068969931035934 (7.08943e-11% change)
+ iteration 38: trace = 1.068969931043938 (1.71147e-09% change)
+ linmin: converged after 2 iterations.
+ iteration 39: trace = 1.068969931038531 (5.05773e-10% change)
+ linmin: converged after 3 iterations.
+ iteration 40: trace = 1.068969931036688 (1.72365e-10% change)
+ linmin: converged after 2 iterations.
+ iteration 41: trace = 1.06896993103593 (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: 0.3095874786376953
+elapsed time for k point: 6.813265085220337
solve_kpoint (0.15,0.65,0.5):
Solving for bands 1 to 5...
linmin: converged after 5 iterations.
- iteration 1: trace = 1.07210087103826 (0.745891% change)
+ iteration 1: trace = 1.072100871029735 (0.745891% change)
linmin: converged after 4 iterations.
- iteration 2: trace = 1.069747625152661 (0.21974% change)
+ iteration 2: trace = 1.069747625144617 (0.21974% change)
linmin: converged after 4 iterations.
- iteration 3: trace = 1.068703623579 (0.0976409% change)
+ iteration 3: trace = 1.068703623571927 (0.0976409% change)
linmin: converged after 4 iterations.
- iteration 4: trace = 1.067875371547756 (0.0775307% change)
+ iteration 4: trace = 1.067875371541936 (0.0775307% change)
linmin: converged after 4 iterations.
- iteration 5: trace = 1.067259421661608 (0.0576966% change)
+ iteration 5: trace = 1.067259421656347 (0.0576966% change)
linmin: converged after 5 iterations.
- iteration 6: trace = 1.066744514105037 (0.0482574% change)
+ iteration 6: trace = 1.066744514099866 (0.0482574% change)
linmin: converged after 4 iterations.
- iteration 7: trace = 1.066542840022479 (0.0189074% change)
+ iteration 7: trace = 1.066542840017269 (0.0189074% change)
linmin: converged after 4 iterations.
- iteration 8: trace = 1.066494016827025 (0.00457781% change)
+ iteration 8: trace = 1.066494016821789 (0.00457781% change)
linmin: converged after 4 iterations.
- iteration 9: trace = 1.066464593737446 (0.0027589% change)
+ iteration 9: trace = 1.066464593732184 (0.0027589% change)
linmin: converged after 4 iterations.
- iteration 10: trace = 1.066451587644159 (0.00121956% change)
+ iteration 10: trace = 1.066451587638911 (0.00121956% change)
linmin: converged after 4 iterations.
- iteration 11: trace = 1.06644367200251 (0.000742244% change)
+ iteration 11: trace = 1.066443671997326 (0.000742244% change)
linmin: converged after 4 iterations.
- iteration 12: trace = 1.066440721222995 (0.000276694% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 1.066439849489925 (8.17423e-05% change)
+ iteration 12: trace = 1.066440721217859 (0.000276694% change)
linmin: converged after 4 iterations.
- iteration 14: trace = 1.066439375228711 (4.44715e-05% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 1.06643900992587 (3.42544e-05% change)
- linmin: converged after 13 iterations.
- iteration 16: trace = 1.066438547202835 (4.33896e-05% change)
- linmin: converged after 25 iterations.
- iteration 17: trace = 1.066438083380031 (4.34927e-05% change)
+ iteration 13: trace = 1.066439849484829 (8.17423e-05% change)
+ linmin: converged after 4 iterations.
+ iteration 14: trace = 1.066439375223672 (4.44714e-05% change)
linmin: converged after 4 iterations.
- iteration 18: trace = 1.066437660403118 (3.96626e-05% change)
+ iteration 15: trace = 1.066439009920906 (3.42544e-05% change)
+ linmin: converged after 5 iterations.
+ iteration 16: trace = 1.066438547198133 (4.33895e-05% change)
+ linmin: converged after 24 iterations.
+ iteration 17: trace = 1.066438083375613 (4.34927e-05% change)
+ linmin: converged after 7 iterations.
+ iteration 18: trace = 1.066437660398672 (3.96626e-05% change)
linmin: converged after 5 iterations.
- iteration 19: trace = 1.066437091986816 (5.33005e-05% change)
+ iteration 19: trace = 1.066437091982246 (5.33005e-05% change)
linmin: converged after 5 iterations.
- iteration 20: trace = 1.066436003249257 (0.000102091% change)
+ iteration 20: trace = 1.066436003245269 (0.000102091% change)
large trace change predicted (0.000276028%)
linmin: converged after 3 iterations.
- iteration 21: trace = 1.066433061003117 (0.000275896% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 1.06642793475905 (0.000480692% change)
+ iteration 21: trace = 1.066433061003442 (0.000275895% change)
linmin: converged after 5 iterations.
- iteration 23: trace = 1.066424326682477 (0.000338333% change)
- linmin: converged after 14 iterations.
- iteration 24: trace = 1.066422960610081 (0.000128098% change)
- linmin: converged after 4 iterations.
- iteration 25: trace = 1.066422499818148 (4.32091e-05% change)
+ iteration 22: trace = 1.066427934766565 (0.000480691% change)
+ linmin: converged after 30 iterations.
+ iteration 23: trace = 1.066424326691444 (0.000338333% change)
+ linmin: converged after 7 iterations.
+ iteration 24: trace = 1.066422960618152 (0.000128099% change)
linmin: converged after 5 iterations.
- iteration 26: trace = 1.066422186806159 (2.93516e-05% change)
+ iteration 25: trace = 1.066422499825244 (4.32092e-05% change)
linmin: converged after 5 iterations.
- iteration 27: trace = 1.06642189052569 (2.77827e-05% change)
+ iteration 26: trace = 1.066422186811657 (2.93517e-05% change)
linmin: converged after 5 iterations.
- iteration 28: trace = 1.066421685762265 (1.9201e-05% change)
+ iteration 27: trace = 1.066421890528896 (2.77829e-05% change)
linmin: converged after 4 iterations.
- iteration 29: trace = 1.066421590549438 (8.92825e-06% change)
+ iteration 28: trace = 1.066421685763468 (1.92012e-05% change)
+ linmin: converged after 5 iterations.
+ iteration 29: trace = 1.06642159054965 (8.92835e-06% change)
linmin: converged after 2 iterations.
- iteration 30: trace = 1.066421557709119 (3.07949e-06% change)
+ iteration 30: trace = 1.066421557709045 (3.07951e-06% change)
linmin: converged after 2 iterations.
- iteration 31: trace = 1.066421543618909 (1.32126e-06% change)
+ iteration 31: trace = 1.066421543618768 (1.32127e-06% change)
linmin: converged after 2 iterations.
- iteration 32: trace = 1.066421537041107 (6.16811e-07% change)
+ iteration 32: trace = 1.066421537040984 (6.16809e-07% change)
linmin: converged after 2 iterations.
- iteration 33: trace = 1.06642153395652 (2.89247e-07% change)
+ iteration 33: trace = 1.066421533956409 (2.89245e-07% change)
linmin: converged after 2 iterations.
- iteration 34: trace = 1.066421532546079 (1.32259e-07% change)
+ iteration 34: trace = 1.066421532545984 (1.32258e-07% change)
linmin: converged after 2 iterations.
- iteration 35: trace = 1.066421532098712 (4.19503e-08% change)
+ iteration 35: trace = 1.066421532098628 (4.19493e-08% change)
linmin: converged after 2 iterations.
- iteration 36: trace = 1.066421531981078 (1.10308e-08% change)
+ iteration 36: trace = 1.066421531981 (1.10302e-08% change)
linmin: converged after 2 iterations.
- iteration 37: trace = 1.066421531947887 (3.11231e-09% change)
+ iteration 37: trace = 1.066421531947815 (3.11181e-09% change)
linmin: converged after 4 iterations.
- iteration 38: trace = 1.066421531934603 (1.24569e-09% change)
- linmin: converged after 2 iterations.
- iteration 39: trace = 1.06642153192376 (1.0168e-09% change)
- linmin: converged after 2 iterations.
- iteration 40: trace = 1.066421531913921 (9.22558e-10% change)
- linmin: converged after 7 iterations.
- iteration 41: trace = 1.066421531908639 (4.95384e-10% change)
+ iteration 38: trace = 1.066421531934532 (1.24558e-09% change)
+ linmin: converged after 3 iterations.
+ iteration 39: trace = 1.066421531923697 (1.01596e-09% change)
+ linmin: converged after 6 iterations.
+ iteration 40: trace = 1.066421531913855 (9.22953e-10% change)
linmin: converged after 3 iterations.
- iteration 42: trace = 1.06642153190678 (1.74317e-10% change)
+ iteration 41: trace = 1.066421531908571 (4.95468e-10% change)
+ linmin: converged after 6 iterations.
+ iteration 42: trace = 1.066421531906717 (1.7388e-10% change)
linmin: converged after 5 iterations.
- iteration 43: trace = 1.066421531906209 (5.34695e-11% change)
+ iteration 43: trace = 1.066421531906148 (5.32821e-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: 0.32477593421936035
+elapsed time for k point: 8.335243463516235
solve_kpoint (0.2,0.7,0.5):
Solving for bands 1 to 5...
linmin: converged after 5 iterations.
- iteration 1: trace = 1.069785773523572 (0.695776% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 1.067527570021082 (0.211312% change)
+ iteration 1: trace = 1.069785773604965 (0.695776% change)
linmin: converged after 4 iterations.
- iteration 3: trace = 1.066558947035617 (0.0907764% change)
+ iteration 2: trace = 1.067527570080581 (0.211312% change)
linmin: converged after 4 iterations.
- iteration 4: trace = 1.065685964033352 (0.0818839% change)
+ iteration 3: trace = 1.066558947074816 (0.0907764% change)
linmin: converged after 4 iterations.
- iteration 5: trace = 1.065178396925658 (0.0476396% change)
+ iteration 4: trace = 1.065685964052161 (0.0818839% change)
linmin: converged after 4 iterations.
- iteration 6: trace = 1.064838989612961 (0.031869% change)
+ iteration 5: trace = 1.065178396938137 (0.0476396% change)
linmin: converged after 4 iterations.
- iteration 7: trace = 1.064736335041733 (0.00964085% change)
+ iteration 6: trace = 1.064838989622728 (0.031869% change)
linmin: converged after 4 iterations.
- iteration 8: trace = 1.064718062396949 (0.00171618% change)
+ iteration 7: trace = 1.064736335051292 (0.00964085% change)
linmin: converged after 4 iterations.
- iteration 9: trace = 1.064709443686219 (0.000809486% change)
+ iteration 8: trace = 1.064718062406794 (0.00171618% change)
linmin: converged after 4 iterations.
- iteration 10: trace = 1.064705784325724 (0.000343696% change)
+ iteration 9: trace = 1.064709443696535 (0.000809486% change)
linmin: converged after 4 iterations.
- iteration 11: trace = 1.064703064037169 (0.000255497% change)
+ iteration 10: trace = 1.06470578433643 (0.000343696% change)
+ linmin: converged after 5 iterations.
+ iteration 11: trace = 1.064703064048174 (0.000255497% change)
linmin: converged after 4 iterations.
- iteration 12: trace = 1.064701652724537 (0.000132555% change)
+ iteration 12: trace = 1.064701652735597 (0.000132555% change)
linmin: converged after 4 iterations.
- iteration 13: trace = 1.064701182180295 (4.41949e-05% change)
+ iteration 13: trace = 1.064701182191319 (4.4195e-05% change)
linmin: converged after 4 iterations.
- iteration 14: trace = 1.064700943595669 (2.24086e-05% change)
+ iteration 14: trace = 1.064700943606627 (2.24086e-05% change)
linmin: converged after 2 iterations.
- iteration 15: trace = 1.064700802685182 (1.32347e-05% change)
+ iteration 15: trace = 1.064700802696047 (1.32348e-05% change)
linmin: converged after 5 iterations.
- iteration 16: trace = 1.064700694070544 (1.02014e-05% change)
+ iteration 16: trace = 1.064700694081259 (1.02014e-05% change)
linmin: converged after 2 iterations.
- iteration 17: trace = 1.064700636598651 (5.39794e-06% change)
+ iteration 17: trace = 1.064700636609229 (5.39795e-06% change)
linmin: converged after 4 iterations.
- iteration 18: trace = 1.064700617107804 (1.83064e-06% change)
+ iteration 18: trace = 1.064700617118281 (1.83065e-06% change)
linmin: converged after 2 iterations.
- iteration 19: trace = 1.064700610383978 (6.31523e-07% change)
+ iteration 19: trace = 1.064700610394363 (6.31531e-07% change)
linmin: converged after 2 iterations.
- iteration 20: trace = 1.064700607855536 (2.37479e-07% change)
+ iteration 20: trace = 1.064700607865834 (2.37487e-07% change)
linmin: converged after 2 iterations.
- iteration 21: trace = 1.06470060562632 (2.09375e-07% change)
- large trace change predicted (4.79888e-07%)
+ iteration 21: trace = 1.064700605636452 (2.0939e-07% change)
+ large trace change predicted (4.79935e-07%)
linmin: converged after 2 iterations.
- iteration 22: trace = 1.064700600516941 (4.79889e-07% change)
- large trace change predicted (1.42404e-06%)
- linmin: converged after 3 iterations.
- iteration 23: trace = 1.064700585355235 (1.42403e-06% change)
- large trace change predicted (2.97931e-06%)
+ iteration 22: trace = 1.064700600526578 (4.79935e-07% change)
+ large trace change predicted (1.42418e-06%)
linmin: converged after 4 iterations.
- iteration 24: trace = 1.064700553634983 (2.97927e-06% change)
+ iteration 23: trace = 1.064700585363382 (1.42417e-06% change)
+ large trace change predicted (2.97957e-06%)
linmin: converged after 4 iterations.
- iteration 25: trace = 1.064700526783395 (2.52198e-06% change)
+ iteration 24: trace = 1.064700553640431 (2.97952e-06% change)
+ linmin: converged after 18 iterations.
+ iteration 25: trace = 1.064700526786951 (2.52216e-06% change)
linmin: converged after 2 iterations.
- iteration 26: trace = 1.064700508728923 (1.69573e-06% change)
+ iteration 26: trace = 1.064700508731266 (1.69585e-06% change)
linmin: converged after 2 iterations.
- iteration 27: trace = 1.06470049007232 (1.75229e-06% change)
- linmin: converged after 4 iterations.
- iteration 28: trace = 1.06470046670805 (2.19445e-06% change)
- linmin: converged after 6 iterations.
- iteration 29: trace = 1.064700446692077 (1.87996e-06% change)
- linmin: converged after 10 iterations.
- iteration 30: trace = 1.064700438159558 (8.01401e-07% change)
+ iteration 27: trace = 1.064700490073484 (1.7524e-06% change)
+ linmin: converged after 7 iterations.
+ iteration 28: trace = 1.064700466708247 (2.19454e-06% change)
+ linmin: converged after 23 iterations.
+ iteration 29: trace = 1.06470044669203 (1.87999e-06% change)
linmin: converged after 2 iterations.
- iteration 31: trace = 1.064700434712811 (3.23729e-07% change)
+ iteration 30: trace = 1.064700438159573 (8.01395e-07% change)
linmin: converged after 2 iterations.
- iteration 32: trace = 1.064700432935373 (1.66943e-07% change)
- linmin: converged after 3 iterations.
- iteration 33: trace = 1.064700431874701 (9.96216e-08% change)
- linmin: converged after 18 iterations.
- iteration 34: trace = 1.064700431313299 (5.27287e-08% change)
+ iteration 31: trace = 1.064700434712854 (3.23727e-07% change)
+ linmin: converged after 2 iterations.
+ iteration 32: trace = 1.064700432935417 (1.66942e-07% change)
+ linmin: converged after 2 iterations.
+ iteration 33: trace = 1.064700431874727 (9.96233e-08% change)
+ linmin: converged after 2 iterations.
+ iteration 34: trace = 1.064700431313316 (5.27295e-08% change)
linmin: converged after 3 iterations.
- iteration 35: trace = 1.064700431122869 (1.78857e-08% change)
+ iteration 35: trace = 1.064700431122882 (1.78862e-08% change)
linmin: converged after 2 iterations.
- iteration 36: trace = 1.064700431069187 (5.04198e-09% change)
+ iteration 36: trace = 1.064700431069202 (5.04181e-09% change)
linmin: converged after 2 iterations.
- iteration 37: trace = 1.064700431049588 (1.84086e-09% change)
+ iteration 37: trace = 1.064700431049594 (1.84165e-09% change)
linmin: converged after 3 iterations.
- iteration 38: trace = 1.064700431037439 (1.141e-09% change)
- linmin: converged after 6 iterations.
- iteration 39: trace = 1.06470043102659 (1.01902e-09% change)
- linmin: converged after 6 iterations.
- iteration 40: trace = 1.064700431020412 (5.8019e-10% change)
+ iteration 38: trace = 1.064700431037441 (1.14146e-09% change)
linmin: converged after 5 iterations.
- iteration 41: trace = 1.064700431018619 (1.68468e-10% change)
+ iteration 39: trace = 1.064700431026589 (1.01925e-09% change)
linmin: converged after 2 iterations.
- iteration 42: trace = 1.06470043101822 (3.74975e-11% change)
+ iteration 40: trace = 1.064700431020416 (5.79772e-10% change)
+ linmin: converged after 2 iterations.
+ iteration 41: trace = 1.064700431018628 (1.67884e-10% change)
+ linmin: converged after 3 iterations.
+ iteration 42: trace = 1.064700431018217 (3.86445e-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: 0.3169381618499756
+elapsed time for k point: 5.80159592628479
solve_kpoint (0.25,0.75,0.5):
Solving for bands 1 to 5...
linmin: converged after 5 iterations.
- iteration 1: trace = 1.071021350258464 (0.625217% change)
+ iteration 1: trace = 1.071021350256857 (0.625217% change)
linmin: converged after 4 iterations.
- iteration 2: trace = 1.069008626710125 (0.188102% change)
+ iteration 2: trace = 1.06900862671002 (0.188102% change)
linmin: converged after 4 iterations.
- iteration 3: trace = 1.068158244973315 (0.0795803% change)
+ iteration 3: trace = 1.068158244974187 (0.0795803% change)
linmin: converged after 4 iterations.
- iteration 4: trace = 1.067197593267827 (0.0899758% change)
+ iteration 4: trace = 1.067197593269694 (0.0899758% change)
linmin: converged after 4 iterations.
- iteration 5: trace = 1.066544127994454 (0.0612506% change)
+ iteration 5: trace = 1.066544127996658 (0.0612506% change)
linmin: converged after 5 iterations.
- iteration 6: trace = 1.065958659749782 (0.054909% change)
+ iteration 6: trace = 1.065958659752063 (0.054909% change)
linmin: converged after 4 iterations.
- iteration 7: trace = 1.065750318742271 (0.0195469% change)
+ iteration 7: trace = 1.065750318744432 (0.0195469% change)
linmin: converged after 4 iterations.
- iteration 8: trace = 1.06567551063021 (0.00701954% change)
+ iteration 8: trace = 1.06567551063221 (0.00701954% change)
linmin: converged after 4 iterations.
- iteration 9: trace = 1.06561117031351 (0.0060377% change)
+ iteration 9: trace = 1.065611170315328 (0.0060377% change)
linmin: converged after 4 iterations.
- iteration 10: trace = 1.065570512594905 (0.00381551% change)
+ iteration 10: trace = 1.065570512596607 (0.00381551% change)
linmin: converged after 4 iterations.
- iteration 11: trace = 1.065544557364038 (0.00243584% change)
+ iteration 11: trace = 1.065544557365696 (0.00243584% change)
linmin: converged after 4 iterations.
- iteration 12: trace = 1.065536856808036 (0.00072269% change)
+ iteration 12: trace = 1.065536856809688 (0.00072269% change)
linmin: converged after 4 iterations.
- iteration 13: trace = 1.065534821686211 (0.000190995% change)
+ iteration 13: trace = 1.065534821687861 (0.000190995% change)
linmin: converged after 4 iterations.
- iteration 14: trace = 1.065533865888116 (8.97013e-05% change)
+ iteration 14: trace = 1.065533865889772 (8.97013e-05% change)
linmin: converged after 2 iterations.
- iteration 15: trace = 1.065533310008211 (5.21692e-05% change)
- linmin: converged after 19 iterations.
- iteration 16: trace = 1.065532898641035 (3.86067e-05% change)
+ iteration 15: trace = 1.065533310009858 (5.21692e-05% change)
+ linmin: converged after 3 iterations.
+ iteration 16: trace = 1.065532898642685 (3.86067e-05% change)
linmin: converged after 4 iterations.
- iteration 17: trace = 1.065532683274763 (2.02121e-05% change)
+ iteration 17: trace = 1.065532683276369 (2.02121e-05% change)
linmin: converged after 2 iterations.
- iteration 18: trace = 1.06553256279527 (1.1307e-05% change)
+ iteration 18: trace = 1.065532562796837 (1.1307e-05% change)
linmin: converged after 4 iterations.
- iteration 19: trace = 1.065532411949504 (1.41568e-05% change)
+ iteration 19: trace = 1.065532411951178 (1.41568e-05% change)
large trace change predicted (2.83328e-05%)
linmin: converged after 5 iterations.
- iteration 20: trace = 1.065532110049109 (2.83333e-05% change)
- linmin: converged after 5 iterations.
- iteration 21: trace = 1.065531537830224 (5.37027e-05% change)
+ iteration 20: trace = 1.065532110051103 (2.83333e-05% change)
linmin: converged after 5 iterations.
- iteration 22: trace = 1.065530957301766 (5.44825e-05% change)
+ iteration 21: trace = 1.065531537832729 (5.37026e-05% change)
linmin: converged after 6 iterations.
- iteration 23: trace = 1.065530503251994 (4.26125e-05% change)
+ iteration 22: trace = 1.06553095730435 (5.44825e-05% change)
+ linmin: converged after 5 iterations.
+ iteration 23: trace = 1.065530503254396 (4.26126e-05% change)
linmin: converged after 5 iterations.
- iteration 24: trace = 1.065529848639519 (6.14354e-05% change)
+ iteration 24: trace = 1.06552984864104 (6.14355e-05% change)
large trace change predicted (0.000173392%)
linmin: converged after 4 iterations.
- iteration 25: trace = 1.065528002345301 (0.000173275% change)
- large trace change predicted (0.000909713%)
+ iteration 25: trace = 1.065528002343178 (0.000173275% change)
+ large trace change predicted (0.000909711%)
linmin: converged after 4 iterations.
- iteration 26: trace = 1.065518574708514 (0.000884789% change)
- large trace change predicted (0.00393934%)
+ iteration 26: trace = 1.065518574731398 (0.000884787% change)
+ large trace change predicted (0.00393925%)
linmin: converged after 7 iterations.
- iteration 27: trace = 1.065486645435641 (0.00299664% change)
- linmin: converged after 5 iterations.
- iteration 28: trace = 1.065452553120126 (0.00319975% change)
+ iteration 27: trace = 1.065486645935353 (0.00299659% change)
+ linmin: converged after 9 iterations.
+ iteration 28: trace = 1.065452554316755 (0.00319968% change)
linmin: converged after 6 iterations.
- iteration 29: trace = 1.065430692674114 (0.00205177% change)
+ iteration 29: trace = 1.065430694066201 (0.00205175% change)
linmin: converged after 4 iterations.
- iteration 30: trace = 1.065419519797684 (0.00104868% change)
+ iteration 30: trace = 1.065419520878208 (0.00104871% change)
linmin: converged after 4 iterations.
- iteration 31: trace = 1.065412511388109 (0.00065781% change)
- linmin: converged after 5 iterations.
- iteration 32: trace = 1.065407624769086 (0.000458661% change)
- linmin: converged after 9 iterations.
- iteration 33: trace = 1.065405106225756 (0.000236393% change)
+ iteration 31: trace = 1.065412511944419 (0.000657859% change)
linmin: converged after 5 iterations.
- iteration 34: trace = 1.0654040172277 (0.000102215% change)
- linmin: converged after 4 iterations.
- iteration 35: trace = 1.065403611178203 (3.81123e-05% change)
+ iteration 32: trace = 1.06540762492902 (0.000458698% change)
linmin: converged after 4 iterations.
- iteration 36: trace = 1.065403441814578 (1.58967e-05% change)
+ iteration 33: trace = 1.065405106257257 (0.000236405% change)
linmin: converged after 3 iterations.
- iteration 37: trace = 1.065403323919896 (1.10657e-05% change)
- linmin: converged after 4 iterations.
- iteration 38: trace = 1.065403209105764 (1.07766e-05% change)
+ iteration 34: trace = 1.065404017240623 (0.000102216% change)
linmin: converged after 3 iterations.
- iteration 39: trace = 1.065403107356248 (9.55033e-06% change)
+ iteration 35: trace = 1.065403611191832 (3.81122e-05% change)
linmin: converged after 3 iterations.
- iteration 40: trace = 1.065403054378212 (4.97258e-06% change)
+ iteration 36: trace = 1.065403441828811 (1.58966e-05% change)
+ linmin: converged after 3 iterations.
+ iteration 37: trace = 1.065403323932342 (1.10659e-05% change)
+ linmin: converged after 5 iterations.
+ iteration 38: trace = 1.065403209115777 (1.07768e-05% change)
+ linmin: converged after 3 iterations.
+ iteration 39: trace = 1.065403107365718 (9.55038e-06% change)
+ linmin: converged after 3 iterations.
+ iteration 40: trace = 1.065403054387964 (4.97255e-06% change)
+ linmin: converged after 5 iterations.
+ iteration 41: trace = 1.06540303601522 (1.72449e-06% change)
+ linmin: converged after 3 iterations.
+ iteration 42: trace = 1.065403029075787 (6.51344e-07% change)
+ linmin: converged after 3 iterations.
+ iteration 43: trace = 1.065403024644487 (4.15927e-07% change)
+ linmin: converged after 6 iterations.
+ iteration 44: trace = 1.065403021192306 (3.24026e-07% change)
linmin: converged after 2 iterations.
- iteration 41: trace = 1.065403036005433 (1.72449e-06% change)
+ iteration 45: trace = 1.065403018976769 (2.07953e-07% change)
linmin: converged after 2 iterations.
- iteration 42: trace = 1.065403029066158 (6.51329e-07% change)
- linmin: converged after 10 iterations.
- iteration 43: trace = 1.065403024635121 (4.15902e-07% change)
- linmin: converged after 6 iterations.
- iteration 44: trace = 1.065403021183181 (3.24003e-07% change)
+ iteration 46: trace = 1.065403018006529 (9.10678e-08% change)
linmin: converged after 2 iterations.
- iteration 45: trace = 1.065403018967786 (2.0794e-07% change)
+ iteration 47: trace = 1.065403017544304 (4.3385e-08% change)
+ linmin: converged after 4 iterations.
+ iteration 48: trace = 1.06540301707721 (4.3842e-08% change)
+ large trace change predicted (8.98853e-08%)
linmin: converged after 2 iterations.
- iteration 46: trace = 1.06540301799757 (9.10656e-08% change)
+ iteration 49: trace = 1.06540301611957 (8.98853e-08% change)
+ large trace change predicted (2.34697e-07%)
linmin: converged after 2 iterations.
- iteration 47: trace = 1.065403017535375 (4.33822e-08% change)
- linmin: converged after 3 iterations.
- iteration 48: trace = 1.065403017068308 (4.38395e-08% change)
- large trace change predicted (8.98767e-08%)
- linmin: converged after 3 iterations.
- iteration 49: trace = 1.065403016110758 (8.98767e-08% change)
- large trace change predicted (2.34674e-07%)
+ iteration 50: trace = 1.065403013619096 (2.34697e-07% change)
+ large trace change predicted (5.60932e-07%)
+ linmin: converged after 12 iterations.
+ iteration 51: trace = 1.065403007642869 (5.60936e-07% change)
+ linmin: converged after 18 iterations.
+ iteration 52: trace = 1.065402998323143 (8.74761e-07% change)
+ linmin: converged after 4 iterations.
+ iteration 53: trace = 1.065402986266674 (1.13163e-06% change)
+ linmin: converged after 4 iterations.
+ iteration 54: trace = 1.065402969177869 (1.60398e-06% change)
+ linmin: converged after 5 iterations.
+ iteration 55: trace = 1.065402943673377 (2.39388e-06% change)
+ linmin: converged after 5 iterations.
+ iteration 56: trace = 1.065402909801003 (3.1793e-06% change)
+ linmin: converged after 5 iterations.
+ iteration 57: trace = 1.065402880544193 (2.74608e-06% change)
linmin: converged after 3 iterations.
- iteration 50: trace = 1.065403013610528 (2.34675e-07% change)
- large trace change predicted (5.60902e-07%)
- linmin: converged after 6 iterations.
- iteration 51: trace = 1.065403007634617 (5.60906e-07% change)
- linmin: converged after 6 iterations.
- iteration 52: trace = 1.065402998314768 (8.74772e-07% change)
- linmin: converged after 7 iterations.
- iteration 53: trace = 1.065402986257841 (1.13168e-06% change)
+ iteration 58: trace = 1.065402867305791 (1.24257e-06% change)
linmin: converged after 4 iterations.
- iteration 54: trace = 1.065402969168857 (1.60399e-06% change)
+ iteration 59: trace = 1.065402862588597 (4.42762e-07% change)
linmin: converged after 4 iterations.
- iteration 55: trace = 1.065402943665572 (2.39377e-06% change)
+ iteration 60: trace = 1.065402860542621 (1.92038e-07% change)
+ linmin: converged after 4 iterations.
+ iteration 61: trace = 1.065402859235889 (1.22651e-07% change)
linmin: converged after 3 iterations.
- iteration 56: trace = 1.065402909795887 (3.17905e-06% change)
- linmin: converged after 6 iterations.
- iteration 57: trace = 1.065402880541239 (2.74588e-06% change)
- linmin: converged after 6 iterations.
- iteration 58: trace = 1.065402867303766 (1.24249e-06% change)
+ iteration 62: trace = 1.065402858140635 (1.02802e-07% change)
+ linmin: converged after 4 iterations.
+ iteration 63: trace = 1.065402857385874 (7.08428e-08% change)
+ linmin: converged after 4 iterations.
+ iteration 64: trace = 1.06540285703715 (3.27316e-08% change)
linmin: converged after 2 iterations.
- iteration 59: trace = 1.065402862586899 (4.42731e-07% change)
- linmin: converged after 7 iterations.
- iteration 60: trace = 1.065402860541348 (1.91998e-07% change)
- linmin: converged after 3 iterations.
- iteration 61: trace = 1.065402859235046 (1.22611e-07% change)
- linmin: converged after 5 iterations.
- iteration 62: trace = 1.065402858140186 (1.02765e-07% change)
+ iteration 65: trace = 1.065402856879938 (1.47562e-08% change)
linmin: converged after 2 iterations.
- iteration 63: trace = 1.065402857385623 (7.08243e-08% change)
- linmin: converged after 16 iterations.
- iteration 64: trace = 1.065402857036981 (3.27239e-08% change)
- linmin: converged after 16 iterations.
- iteration 65: trace = 1.065402856879801 (1.47532e-08% change)
+ iteration 66: trace = 1.065402856783457 (9.05579e-09% change)
linmin: converged after 2 iterations.
- iteration 66: trace = 1.06540285678336 (9.05199e-09% change)
- linmin: converged after 4 iterations.
- iteration 67: trace = 1.065402856698797 (7.93723e-09% change)
+ iteration 67: trace = 1.065402856698865 (7.9399e-09% change)
linmin: converged after 2 iterations.
- iteration 68: trace = 1.065402856628575 (6.59115e-09% change)
+ iteration 68: trace = 1.065402856628627 (6.59263e-09% change)
linmin: converged after 6 iterations.
- iteration 69: trace = 1.06540285659135 (3.49397e-09% change)
+ iteration 69: trace = 1.065402856591383 (3.49579e-09% change)
resetting CG direction...
linmin: converged after 2 iterations.
- iteration 70: trace = 1.065402856578422 (1.21338e-09% change)
- linmin: converged after 4 iterations.
- iteration 71: trace = 1.065402856572637 (5.43064e-10% change)
- linmin: converged after 4 iterations.
- iteration 72: trace = 1.065402856570892 (1.6373e-10% change)
+ iteration 70: trace = 1.06540285657846 (1.21295e-09% change)
+ linmin: converged after 2 iterations.
+ iteration 71: trace = 1.065402856572683 (5.42313e-10% change)
linmin: converged after 4 iterations.
- iteration 73: trace = 1.06540285657011 (7.3445e-11% change)
+ iteration 72: trace = 1.065402856570917 (1.65731e-10% change)
+ linmin: converged after 2 iterations.
+ iteration 73: trace = 1.065402856570141 (7.28406e-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: 0.5468101501464844
+elapsed time for k point: 7.091893434524536
solve_kpoint (0.275,0.75,0.475):
Solving for bands 1 to 5...
linmin: converged after 5 iterations.
- iteration 1: trace = 1.065652985933632 (0.504169% change)
+ iteration 1: trace = 1.06565298387963 (0.504169% change)
linmin: converged after 5 iterations.
- iteration 2: trace = 1.063445114035257 (0.2074% change)
+ iteration 2: trace = 1.063445111979978 (0.2074% change)
linmin: converged after 4 iterations.
- iteration 3: trace = 1.062314063993459 (0.106414% change)
+ iteration 3: trace = 1.062314062055384 (0.106414% change)
linmin: converged after 5 iterations.
- iteration 4: trace = 1.060800077804152 (0.142619% change)
+ iteration 4: trace = 1.060800076256362 (0.142619% change)
linmin: converged after 5 iterations.
- iteration 5: trace = 1.059864884740296 (0.0881981% change)
+ iteration 5: trace = 1.059864883583945 (0.0881981% change)
linmin: converged after 5 iterations.
- iteration 6: trace = 1.058934077286103 (0.0878618% change)
+ iteration 6: trace = 1.058934076593912 (0.0878618% change)
linmin: converged after 4 iterations.
- iteration 7: trace = 1.058590167245134 (0.0324823% change)
+ iteration 7: trace = 1.058590166729623 (0.0324823% change)
linmin: converged after 4 iterations.
- iteration 8: trace = 1.058340293496419 (0.0236072% change)
+ iteration 8: trace = 1.058340293109642 (0.0236072% change)
linmin: converged after 5 iterations.
- iteration 9: trace = 1.058044369857015 (0.027965% change)
+ iteration 9: trace = 1.058044369605698 (0.027965% change)
linmin: converged after 4 iterations.
- iteration 10: trace = 1.057844196440771 (0.018921% change)
+ iteration 10: trace = 1.057844196272982 (0.018921% change)
linmin: converged after 4 iterations.
- iteration 11: trace = 1.057733299013849 (0.0104839% change)
+ iteration 11: trace = 1.057733298897283 (0.0104839% change)
linmin: converged after 4 iterations.
- iteration 12: trace = 1.057686886075716 (0.00438806% change)
+ iteration 12: trace = 1.057686885986062 (0.00438806% change)
linmin: converged after 4 iterations.
- iteration 13: trace = 1.05764371827619 (0.00408142% change)
+ iteration 13: trace = 1.05764371821719 (0.00408142% change)
linmin: converged after 4 iterations.
- iteration 14: trace = 1.057601094505351 (0.00403015% change)
+ iteration 14: trace = 1.057601094475249 (0.00403015% change)
linmin: converged after 4 iterations.
- iteration 15: trace = 1.057574169313476 (0.00254591% change)
+ iteration 15: trace = 1.057574169298974 (0.0025459% change)
linmin: converged after 4 iterations.
- iteration 16: trace = 1.057560843559645 (0.00126004% change)
+ iteration 16: trace = 1.057560843552251 (0.00126004% change)
linmin: converged after 4 iterations.
- iteration 17: trace = 1.057554897778592 (0.000562218% change)
+ iteration 17: trace = 1.057554897774382 (0.000562218% change)
linmin: converged after 4 iterations.
- iteration 18: trace = 1.057550493139453 (0.000416494% change)
- linmin: converged after 5 iterations.
- iteration 19: trace = 1.057547622004361 (0.00027149% change)
+ iteration 18: trace = 1.057550493137504 (0.000416493% change)
linmin: converged after 5 iterations.
- iteration 20: trace = 1.05754621327995 (0.000133207% change)
+ iteration 19: trace = 1.057547622003613 (0.000271489% change)
linmin: converged after 4 iterations.
- iteration 21: trace = 1.057545647266108 (5.35214e-05% change)
- linmin: converged after 5 iterations.
- iteration 22: trace = 1.057545445060952 (1.91202e-05% change)
- linmin: converged after 17 iterations.
- iteration 23: trace = 1.057545346459636 (9.3236e-06% change)
+ iteration 20: trace = 1.057546213279662 (0.000133207% change)
+ linmin: converged after 4 iterations.
+ iteration 21: trace = 1.057545647265979 (5.35214e-05% change)
+ linmin: converged after 6 iterations.
+ iteration 22: trace = 1.057545445060888 (1.91202e-05% change)
+ linmin: converged after 6 iterations.
+ iteration 23: trace = 1.057545346459599 (9.3236e-06% change)
+ linmin: converged after 22 iterations.
+ iteration 24: trace = 1.057545294682111 (4.89601e-06% change)
linmin: converged after 2 iterations.
- iteration 24: trace = 1.057545294682121 (4.89601e-06% change)
+ iteration 25: trace = 1.057545271741628 (2.16922e-06% change)
linmin: converged after 2 iterations.
- iteration 25: trace = 1.057545271741636 (2.16922e-06% change)
+ iteration 26: trace = 1.05754526291091 (8.3502e-07% change)
linmin: converged after 2 iterations.
- iteration 26: trace = 1.057545262910935 (8.35019e-07% change)
+ iteration 27: trace = 1.057545260634118 (2.1529e-07% change)
linmin: converged after 2 iterations.
- iteration 27: trace = 1.057545260634137 (2.15291e-07% change)
+ iteration 28: trace = 1.057545259833977 (7.56602e-08% change)
linmin: converged after 2 iterations.
- iteration 28: trace = 1.057545259833991 (7.56607e-08% change)
- linmin: converged after 3 iterations.
- iteration 29: trace = 1.057545259398532 (4.11764e-08% change)
+ iteration 29: trace = 1.057545259398516 (4.11766e-08% change)
+ linmin: converged after 4 iterations.
+ iteration 30: trace = 1.057545259108179 (2.74538e-08% change)
linmin: converged after 3 iterations.
- iteration 30: trace = 1.057545259108186 (2.74547e-08% change)
- linmin: converged after 10 iterations.
- iteration 31: trace = 1.057545258933647 (1.65041e-08% change)
- linmin: converged after 2 iterations.
- iteration 32: trace = 1.057545258873734 (5.66527e-09% change)
- linmin: converged after 6 iterations.
- iteration 33: trace = 1.057545258854835 (1.78709e-09% change)
- linmin: converged after 5 iterations.
- iteration 34: trace = 1.057545258846099 (8.26118e-10% change)
- linmin: converged after 5 iterations.
- iteration 35: trace = 1.057545258839641 (6.10633e-10% change)
+ iteration 31: trace = 1.057545258933642 (1.6504e-08% change)
+ linmin: converged after 9 iterations.
+ iteration 32: trace = 1.057545258873732 (5.66495e-09% change)
linmin: converged after 2 iterations.
- iteration 36: trace = 1.057545258833264 (6.02949e-10% change)
+ iteration 33: trace = 1.05754525885484 (1.78642e-09% change)
+ linmin: converged after 3 iterations.
+ iteration 34: trace = 1.057545258846103 (8.26139e-10% change)
+ linmin: converged after 3 iterations.
+ iteration 35: trace = 1.057545258839642 (6.1099e-10% change)
linmin: converged after 3 iterations.
- iteration 37: trace = 1.057545258828682 (4.3332e-10% change)
+ iteration 36: trace = 1.057545258833266 (6.02886e-10% change)
linmin: converged after 4 iterations.
- iteration 38: trace = 1.057545258826098 (2.44333e-10% change)
+ iteration 37: trace = 1.057545258828682 (4.33446e-10% change)
linmin: converged after 3 iterations.
- iteration 39: trace = 1.057545258824423 (1.58354e-10% change)
- linmin: converged after 5 iterations.
- iteration 40: trace = 1.057545258822975 (1.36937e-10% change)
- linmin: converged after 5 iterations.
- iteration 41: trace = 1.057545258821918 (9.9984e-11% change)
-Finished solving for bands 1 to 5 after 41 iterations.
+ iteration 38: trace = 1.057545258826096 (2.44543e-10% change)
+ linmin: converged after 3 iterations.
+ iteration 39: trace = 1.057545258824421 (1.58396e-10% change)
+ linmin: converged after 8 iterations.
+ iteration 40: trace = 1.057545258822975 (1.36685e-10% change)
+ linmin: converged after 3 iterations.
+ iteration 41: trace = 1.057545258821915 (1.00278e-10% change)
+ linmin: converged after 3 iterations.
+ iteration 42: trace = 1.057545258821418 (4.69266e-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: 0.3097963333129883
+elapsed time for k point: 6.674334764480591
solve_kpoint (0.3,0.75,0.45):
Solving for bands 1 to 5...
linmin: converged after 5 iterations.
- iteration 1: trace = 1.051264383683378 (0.453576% change)
+ iteration 1: trace = 1.051264386852736 (0.453577% change)
linmin: converged after 4 iterations.
- iteration 2: trace = 1.049735266104058 (0.145561% change)
+ iteration 2: trace = 1.049735266940322 (0.145561% change)
linmin: converged after 4 iterations.
- iteration 3: trace = 1.049264550828425 (0.0448514% change)
+ iteration 3: trace = 1.049264550979265 (0.0448515% change)
linmin: converged after 4 iterations.
- iteration 4: trace = 1.048963507881569 (0.028695% change)
+ iteration 4: trace = 1.048963507822298 (0.028695% change)
linmin: converged after 4 iterations.
- iteration 5: trace = 1.048842772275293 (0.0115107% change)
+ iteration 5: trace = 1.048842772219851 (0.0115107% change)
linmin: converged after 4 iterations.
- iteration 6: trace = 1.04877245532582 (0.00670447% change)
+ iteration 6: trace = 1.048772455330029 (0.00670446% change)
linmin: converged after 4 iterations.
- iteration 7: trace = 1.048748914208286 (0.00224466% change)
+ iteration 7: trace = 1.048748914239812 (0.00224466% change)
linmin: converged after 4 iterations.
- iteration 8: trace = 1.048744582044645 (0.00041308% change)
+ iteration 8: trace = 1.048744582091036 (0.000413079% change)
linmin: converged after 4 iterations.
- iteration 9: trace = 1.048741973643088 (0.000248717% change)
+ iteration 9: trace = 1.04874197370127 (0.000248716% change)
linmin: converged after 4 iterations.
- iteration 10: trace = 1.048740250629304 (0.000164294% change)
+ iteration 10: trace = 1.048740250692948 (0.000164293% change)
linmin: converged after 5 iterations.
- iteration 11: trace = 1.048738772936668 (0.000140902% change)
- linmin: converged after 6 iterations.
- iteration 12: trace = 1.048738138350181 (6.05095e-05% change)
+ iteration 11: trace = 1.048738772995077 (0.000140902% change)
+ linmin: converged after 5 iterations.
+ iteration 12: trace = 1.04873813839741 (6.05106e-05% change)
linmin: converged after 2 iterations.
- iteration 13: trace = 1.048737951017005 (1.78627e-05% change)
+ iteration 13: trace = 1.048737951057088 (1.78634e-05% change)
linmin: converged after 2 iterations.
- iteration 14: trace = 1.048737879513113 (6.81809e-06% change)
+ iteration 14: trace = 1.048737879547413 (6.81864e-06% change)
linmin: converged after 2 iterations.
- iteration 15: trace = 1.048737847274543 (3.07404e-06% change)
+ iteration 15: trace = 1.04873784730365 (3.07453e-06% change)
linmin: converged after 2 iterations.
- iteration 16: trace = 1.048737823439024 (2.27278e-06% change)
+ iteration 16: trace = 1.048737823461937 (2.27337e-06% change)
linmin: converged after 2 iterations.
- iteration 17: trace = 1.048737805840767 (1.67804e-06% change)
+ iteration 17: trace = 1.048737805857728 (1.67861e-06% change)
linmin: converged after 2 iterations.
- iteration 18: trace = 1.048737790464287 (1.46619e-06% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 1.048737774171443 (1.55357e-06% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 1.048737760565606 (1.29735e-06% change)
+ iteration 18: trace = 1.048737790475256 (1.46676e-06% change)
+ linmin: converged after 9 iterations.
+ iteration 19: trace = 1.048737774176587 (1.55412e-06% change)
+ linmin: converged after 4 iterations.
+ iteration 20: trace = 1.048737760567198 (1.29769e-06% change)
linmin: converged after 6 iterations.
- iteration 21: trace = 1.048737751887204 (8.27509e-07% change)
+ iteration 21: trace = 1.048737751887526 (8.2763e-07% change)
linmin: converged after 4 iterations.
- iteration 22: trace = 1.048737748310937 (3.41007e-07% change)
- linmin: converged after 20 iterations.
- iteration 23: trace = 1.048737746988563 (1.26092e-07% change)
+ iteration 22: trace = 1.048737748311013 (3.4103e-07% change)
+ linmin: converged after 4 iterations.
+ iteration 23: trace = 1.048737746988579 (1.26098e-07% change)
linmin: converged after 2 iterations.
- iteration 24: trace = 1.048737746414585 (5.47304e-08% change)
+ iteration 24: trace = 1.048737746414591 (5.47313e-08% change)
linmin: converged after 2 iterations.
- iteration 25: trace = 1.048737746162664 (2.40214e-08% change)
+ iteration 25: trace = 1.048737746162667 (2.40217e-08% change)
linmin: converged after 3 iterations.
- iteration 26: trace = 1.048737746020625 (1.35438e-08% change)
+ iteration 26: trace = 1.048737746020625 (1.35441e-08% change)
+ linmin: converged after 4 iterations.
+ iteration 27: trace = 1.048737745965863 (5.2217e-09% change)
linmin: converged after 4 iterations.
- iteration 27: trace = 1.048737745965862 (5.22177e-09% change)
+ iteration 28: trace = 1.048737745951456 (1.37376e-09% change)
+ linmin: converged after 4 iterations.
+ iteration 29: trace = 1.048737745947919 (3.37258e-10% change)
linmin: converged after 2 iterations.
- iteration 28: trace = 1.048737745951455 (1.37378e-09% change)
- linmin: converged after 3 iterations.
- iteration 29: trace = 1.048737745947921 (3.37004e-10% change)
- linmin: converged after 7 iterations.
- iteration 30: trace = 1.048737745947218 (6.699e-11% change)
+ iteration 30: trace = 1.048737745947215 (6.70747e-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: 0.22809815406799316
+elapsed time for k point: 5.2110278606414795
solve_kpoint (0.325,0.75,0.425):
Solving for bands 1 to 5...
linmin: converged after 5 iterations.
- iteration 1: trace = 1.043730320367081 (0.402906% change)
+ iteration 1: trace = 1.043730320366995 (0.402906% change)
linmin: converged after 4 iterations.
- iteration 2: trace = 1.042615065363824 (0.10691% change)
+ iteration 2: trace = 1.042615065363743 (0.10691% change)
linmin: converged after 4 iterations.
- iteration 3: trace = 1.042310395155789 (0.029226% change)
+ iteration 3: trace = 1.042310395155701 (0.029226% change)
linmin: converged after 4 iterations.
- iteration 4: trace = 1.042172278533035 (0.0132519% change)
+ iteration 4: trace = 1.042172278532945 (0.0132519% change)
linmin: converged after 4 iterations.
- iteration 5: trace = 1.042115497545414 (0.00544848% change)
+ iteration 5: trace = 1.042115497545319 (0.00544848% change)
linmin: converged after 4 iterations.
- iteration 6: trace = 1.042085473330498 (0.00288112% change)
+ iteration 6: trace = 1.042085473330403 (0.00288112% change)
linmin: converged after 4 iterations.
- iteration 7: trace = 1.042070524368647 (0.00143453% change)
+ iteration 7: trace = 1.042070524368565 (0.00143453% change)
linmin: converged after 4 iterations.
- iteration 8: trace = 1.042066548612427 (0.000381525% change)
+ iteration 8: trace = 1.042066548612347 (0.000381525% change)
linmin: converged after 4 iterations.
- iteration 9: trace = 1.042062887047469 (0.000351376% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 1.042059736967667 (0.000302293% change)
+ iteration 9: trace = 1.0420628870474 (0.000351376% change)
+ linmin: converged after 6 iterations.
+ iteration 10: trace = 1.042059736967608 (0.000302293% change)
linmin: converged after 4 iterations.
- iteration 11: trace = 1.042056939339079 (0.000268471% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 1.042055775662522 (0.000111671% change)
+ iteration 11: trace = 1.042056939339037 (0.000268471% change)
linmin: converged after 4 iterations.
- iteration 13: trace = 1.042055457699181 (3.05131e-05% change)
+ iteration 12: trace = 1.042055775662489 (0.000111671% change)
+ linmin: converged after 4 iterations.
+ iteration 13: trace = 1.042055457699151 (3.05131e-05% change)
linmin: converged after 2 iterations.
- iteration 14: trace = 1.042055355980347 (9.76137e-06% change)
+ iteration 14: trace = 1.042055355980323 (9.76136e-06% change)
linmin: converged after 2 iterations.
- iteration 15: trace = 1.042055322293896 (3.23269e-06% change)
+ iteration 15: trace = 1.04205532229387 (3.23269e-06% change)
linmin: converged after 2 iterations.
- iteration 16: trace = 1.042055302547851 (1.89491e-06% change)
+ iteration 16: trace = 1.042055302547835 (1.89491e-06% change)
linmin: converged after 2 iterations.
- iteration 17: trace = 1.042055285398364 (1.64574e-06% change)
+ iteration 17: trace = 1.042055285398348 (1.64574e-06% change)
linmin: converged after 2 iterations.
- iteration 18: trace = 1.042055265630034 (1.89705e-06% change)
+ iteration 18: trace = 1.042055265630022 (1.89705e-06% change)
linmin: converged after 2 iterations.
- iteration 19: trace = 1.042055241138578 (2.3503e-06% change)
+ iteration 19: trace = 1.042055241138575 (2.3503e-06% change)
linmin: converged after 4 iterations.
iteration 20: trace = 1.042055220583107 (1.97259e-06% change)
+ linmin: converged after 4 iterations.
+ iteration 21: trace = 1.042055207018135 (1.30175e-06% change)
linmin: converged after 6 iterations.
- iteration 21: trace = 1.042055207018134 (1.30175e-06% change)
- linmin: converged after 22 iterations.
- iteration 22: trace = 1.042055201090032 (5.68886e-07% change)
- linmin: converged after 30 iterations.
- iteration 23: trace = 1.042055199094496 (1.915e-07% change)
+ iteration 22: trace = 1.042055201090035 (5.68885e-07% change)
+ linmin: converged after 4 iterations.
+ iteration 23: trace = 1.042055199094494 (1.91501e-07% change)
linmin: converged after 2 iterations.
- iteration 24: trace = 1.042055198377252 (6.88297e-08% change)
+ iteration 24: trace = 1.04205519837725 (6.88297e-08% change)
linmin: converged after 2 iterations.
- iteration 25: trace = 1.042055198125169 (2.4191e-08% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 1.042055197991546 (1.2823e-08% change)
+ iteration 25: trace = 1.042055198125168 (2.41908e-08% change)
linmin: converged after 2 iterations.
- iteration 27: trace = 1.042055197924895 (6.39612e-09% change)
+ iteration 26: trace = 1.042055197991545 (1.2823e-08% change)
linmin: converged after 2 iterations.
- iteration 28: trace = 1.042055197900922 (2.30053e-09% change)
+ iteration 27: trace = 1.042055197924896 (6.39597e-09% change)
linmin: converged after 2 iterations.
- iteration 29: trace = 1.042055197891546 (8.99766e-10% change)
- linmin: converged after 4 iterations.
- iteration 30: trace = 1.042055197887333 (4.04304e-10% change)
- linmin: converged after 5 iterations.
- iteration 31: trace = 1.042055197884501 (2.71745e-10% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 1.042055197882747 (1.68378e-10% change)
+ iteration 28: trace = 1.042055197900918 (2.30098e-09% change)
+ linmin: converged after 2 iterations.
+ iteration 29: trace = 1.042055197891543 (8.99723e-10% change)
+ linmin: converged after 3 iterations.
+ iteration 30: trace = 1.042055197887333 (4.03963e-10% change)
linmin: converged after 3 iterations.
- iteration 33: trace = 1.04205519788213 (5.92372e-11% change)
+ iteration 31: trace = 1.042055197884503 (2.71553e-10% change)
+ linmin: converged after 3 iterations.
+ iteration 32: trace = 1.042055197882747 (1.68528e-10% change)
+ linmin: converged after 5 iterations.
+ iteration 33: trace = 1.042055197882128 (5.94716e-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: 0.2502100467681885
+elapsed time for k point: 4.176355838775635
solve_kpoint (0.35,0.75,0.4):
Solving for bands 1 to 5...
linmin: converged after 5 iterations.
- iteration 1: trace = 1.04058396714268 (0.367529% change)
+ iteration 1: trace = 1.040583967142558 (0.367529% change)
linmin: converged after 4 iterations.
- iteration 2: trace = 1.039722865444636 (0.082786% change)
+ iteration 2: trace = 1.039722865444511 (0.082786% change)
linmin: converged after 4 iterations.
- iteration 3: trace = 1.039501656240234 (0.021278% change)
+ iteration 3: trace = 1.039501656240105 (0.021278% change)
linmin: converged after 4 iterations.
- iteration 4: trace = 1.039430647296821 (0.00683129% change)
+ iteration 4: trace = 1.039430647296697 (0.00683129% change)
linmin: converged after 4 iterations.
- iteration 5: trace = 1.039402550983722 (0.00270308% change)
- linmin: converged after 6 iterations.
- iteration 6: trace = 1.039389236782874 (0.00128096% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 1.039377840080391 (0.00109649% change)
+ iteration 5: trace = 1.039402550983601 (0.00270308% change)
+ linmin: converged after 5 iterations.
+ iteration 6: trace = 1.039389236782759 (0.00128096% change)
linmin: converged after 4 iterations.
- iteration 8: trace = 1.03937250860792 (0.00051295% change)
+ iteration 7: trace = 1.03937784008029 (0.00109649% change)
linmin: converged after 4 iterations.
- iteration 9: trace = 1.039365669584158 (0.000657998% change)
+ iteration 8: trace = 1.039372508607829 (0.00051295% change)
linmin: converged after 4 iterations.
- iteration 10: trace = 1.039358797682225 (0.000661165% change)
+ iteration 9: trace = 1.039365669584078 (0.000657998% change)
+ linmin: converged after 6 iterations.
+ iteration 10: trace = 1.039358797682165 (0.000661165% change)
+ linmin: converged after 6 iterations.
+ iteration 11: trace = 1.039351522033681 (0.000700016% change)
linmin: converged after 5 iterations.
- iteration 11: trace = 1.039351522033718 (0.000700016% change)
- linmin: converged after 11 iterations.
- iteration 12: trace = 1.039347743030296 (0.000363593% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 1.039346603568471 (0.000109632% change)
+ iteration 12: trace = 1.039347743030266 (0.000363593% change)
+ linmin: converged after 5 iterations.
+ iteration 13: trace = 1.039346603568448 (0.000109632% change)
linmin: converged after 4 iterations.
- iteration 14: trace = 1.039346252827014 (3.37463e-05% change)
+ iteration 14: trace = 1.039346252826993 (3.37463e-05% change)
linmin: converged after 2 iterations.
- iteration 15: trace = 1.03934615166332 (9.7334e-06% change)
+ iteration 15: trace = 1.039346151663298 (9.7334e-06% change)
linmin: converged after 2 iterations.
- iteration 16: trace = 1.039346101166363 (4.85853e-06% change)
+ iteration 16: trace = 1.039346101166342 (4.85853e-06% change)
linmin: converged after 2 iterations.
- iteration 17: trace = 1.039346056762976 (4.27224e-06% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 1.039346002477123 (5.22308e-06% change)
- linmin: converged after 7 iterations.
- iteration 19: trace = 1.039345931774672 (6.80259e-06% change)
+ iteration 17: trace = 1.039346056762957 (4.27224e-06% change)
+ linmin: converged after 22 iterations.
+ iteration 18: trace = 1.039346002477106 (5.22308e-06% change)
+ linmin: converged after 5 iterations.
+ iteration 19: trace = 1.039345931774669 (6.80259e-06% change)
linmin: converged after 2 iterations.
- iteration 20: trace = 1.039345863606865 (6.55872e-06% change)
- linmin: converged after 9 iterations.
- iteration 21: trace = 1.039345797360598 (6.37384e-06% change)
+ iteration 20: trace = 1.039345863606866 (6.55872e-06% change)
linmin: converged after 3 iterations.
- iteration 22: trace = 1.039345749422771 (4.61231e-06% change)
- linmin: converged after 12 iterations.
- iteration 23: trace = 1.03934572407996 (2.43834e-06% change)
+ iteration 21: trace = 1.039345797360606 (6.37384e-06% change)
+ linmin: converged after 26 iterations.
+ iteration 22: trace = 1.039345749422766 (4.61231e-06% change)
+ linmin: converged after 21 iterations.
+ iteration 23: trace = 1.039345724079955 (2.43834e-06% change)
linmin: converged after 4 iterations.
- iteration 24: trace = 1.039345709972816 (1.35731e-06% change)
+ iteration 24: trace = 1.039345709972817 (1.35731e-06% change)
linmin: converged after 4 iterations.
- iteration 25: trace = 1.039345701605023 (8.05102e-07% change)
+ iteration 25: trace = 1.039345701605026 (8.05102e-07% change)
linmin: converged after 2 iterations.
- iteration 26: trace = 1.039345695151118 (6.20958e-07% change)
+ iteration 26: trace = 1.039345695151121 (6.20958e-07% change)
linmin: converged after 2 iterations.
- iteration 27: trace = 1.039345691963402 (3.06704e-07% change)
+ iteration 27: trace = 1.039345691963401 (3.06704e-07% change)
linmin: converged after 2 iterations.
- iteration 28: trace = 1.039345690769051 (1.14914e-07% change)
+ iteration 28: trace = 1.039345690769053 (1.14913e-07% change)
linmin: converged after 2 iterations.
- iteration 29: trace = 1.039345690283837 (4.66846e-08% change)
+ iteration 29: trace = 1.039345690283833 (4.66852e-08% change)
linmin: converged after 2 iterations.
- iteration 30: trace = 1.039345690103328 (1.73676e-08% change)
+ iteration 30: trace = 1.039345690103322 (1.73677e-08% change)
linmin: converged after 2 iterations.
- iteration 31: trace = 1.039345690033776 (6.69189e-09% change)
- linmin: converged after 3 iterations.
- iteration 32: trace = 1.039345690011566 (2.13694e-09% change)
+ iteration 31: trace = 1.039345690033778 (6.69117e-09% change)
linmin: converged after 3 iterations.
- iteration 33: trace = 1.039345690005518 (5.81888e-10% change)
+ iteration 32: trace = 1.03934569001156 (2.13769e-09% change)
+ linmin: converged after 2 iterations.
+ iteration 33: trace = 1.039345690005518 (5.81375e-10% change)
linmin: converged after 3 iterations.
- iteration 34: trace = 1.039345690002446 (2.95569e-10% change)
+ iteration 34: trace = 1.039345690002444 (2.95762e-10% change)
linmin: converged after 4 iterations.
- iteration 35: trace = 1.039345689999084 (3.23449e-10% change)
- linmin: converged after 8 iterations.
- iteration 36: trace = 1.039345689993936 (4.95322e-10% change)
+ iteration 35: trace = 1.039345689999081 (3.23535e-10% change)
linmin: converged after 3 iterations.
- iteration 37: trace = 1.039345689988247 (5.47428e-10% change)
- linmin: converged after 7 iterations.
- iteration 38: trace = 1.039345689985423 (2.71727e-10% change)
+ iteration 36: trace = 1.039345689993936 (4.95044e-10% change)
linmin: converged after 2 iterations.
- iteration 39: trace = 1.039345689984556 (8.33405e-11% change)
+ iteration 37: trace = 1.039345689988246 (5.47407e-10% change)
+ linmin: converged after 13 iterations.
+ iteration 38: trace = 1.03934568998542 (2.71941e-10% change)
+ linmin: converged after 5 iterations.
+ iteration 39: trace = 1.039345689984554 (8.33191e-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: 0.29488158226013184
+elapsed time for k point: 4.215608596801758
solve_kpoint (0.375,0.75,0.375):
Solving for bands 1 to 5...
linmin: converged after 4 iterations.
- iteration 1: trace = 1.042607161722784 (0.34652% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 1.041876242541704 (0.0701295% change)
+ iteration 1: trace = 1.042607161720368 (0.34652% change)
linmin: converged after 4 iterations.
- iteration 3: trace = 1.041689793084914 (0.0178971% change)
+ iteration 2: trace = 1.041876242539336 (0.0701295% change)
linmin: converged after 4 iterations.
- iteration 4: trace = 1.041641147669495 (0.00466997% change)
+ iteration 3: trace = 1.041689793082598 (0.0178971% change)
linmin: converged after 4 iterations.
- iteration 5: trace = 1.041621655684328 (0.00187129% change)
+ iteration 4: trace = 1.04164114766723 (0.00466997% change)
linmin: converged after 4 iterations.
- iteration 6: trace = 1.041610029147031 (0.0011162% change)
+ iteration 5: trace = 1.041621655682081 (0.00187129% change)
+ linmin: converged after 5 iterations.
+ iteration 6: trace = 1.041610029144806 (0.0011162% change)
large trace change predicted (0.0025014%)
linmin: converged after 4 iterations.
- iteration 7: trace = 1.041583957216157 (0.00250307% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 1.041547309523958 (0.00351852% change)
+ iteration 7: trace = 1.041583957213918 (0.00250307% change)
+ linmin: converged after 6 iterations.
+ iteration 8: trace = 1.041547309521649 (0.00351852% change)
large trace change predicted (0.00868818%)
- linmin: converged after 4 iterations.
- iteration 9: trace = 1.041457030684974 (0.00866814% change)
linmin: converged after 5 iterations.
- iteration 10: trace = 1.041334060956518 (0.0118082% change)
+ iteration 9: trace = 1.041457030682496 (0.00866814% change)
linmin: converged after 5 iterations.
- iteration 11: trace = 1.04116469868315 (0.0162653% change)
+ iteration 10: trace = 1.041334060954174 (0.0118082% change)
+ linmin: converged after 5 iterations.
+ iteration 11: trace = 1.041164698681648 (0.0162653% change)
linmin: converged after 4 iterations.
- iteration 12: trace = 1.041009772943269 (0.0148811% change)
+ iteration 12: trace = 1.041009772942722 (0.0148811% change)
linmin: converged after 4 iterations.
- iteration 13: trace = 1.040930951208425 (0.00757195% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 1.040898073106839 (0.00315858% change)
+ iteration 13: trace = 1.040930951208303 (0.00757195% change)
linmin: converged after 3 iterations.
- iteration 15: trace = 1.040888096986957 (0.000958419% change)
+ iteration 14: trace = 1.040898073106853 (0.00315858% change)
linmin: converged after 3 iterations.
- iteration 16: trace = 1.040884173753135 (0.000376913% change)
+ iteration 15: trace = 1.040888096986996 (0.000958419% change)
+ linmin: converged after 5 iterations.
+ iteration 16: trace = 1.040884173753158 (0.000376913% change)
linmin: converged after 3 iterations.
- iteration 17: trace = 1.040881857294595 (0.000222547% change)
+ iteration 17: trace = 1.0408818572946 (0.000222547% change)
+ linmin: converged after 4 iterations.
+ iteration 18: trace = 1.040880129419144 (0.000166001% change)
linmin: converged after 5 iterations.
- iteration 18: trace = 1.040880129419154 (0.000166001% change)
+ iteration 19: trace = 1.04087884692961 (0.000123212% change)
linmin: converged after 5 iterations.
- iteration 19: trace = 1.040878846929637 (0.000123212% change)
- linmin: converged after 6 iterations.
- iteration 20: trace = 1.040878282104806 (5.42642e-05% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 1.040878051081444 (2.2195e-05% change)
+ iteration 20: trace = 1.04087828210478 (5.42642e-05% change)
+ linmin: converged after 5 iterations.
+ iteration 21: trace = 1.040878051081421 (2.2195e-05% change)
linmin: converged after 2 iterations.
- iteration 22: trace = 1.040877952535598 (9.46757e-06% change)
+ iteration 22: trace = 1.040877952535576 (9.46757e-06% change)
linmin: converged after 2 iterations.
- iteration 23: trace = 1.04087791382365 (3.71916e-06% change)
+ iteration 23: trace = 1.040877913823631 (3.71916e-06% change)
linmin: converged after 2 iterations.
- iteration 24: trace = 1.040877896748273 (1.64048e-06% change)
+ iteration 24: trace = 1.040877896748251 (1.64048e-06% change)
linmin: converged after 2 iterations.
- iteration 25: trace = 1.040877888402709 (8.01781e-07% change)
+ iteration 25: trace = 1.040877888402689 (8.01781e-07% change)
linmin: converged after 2 iterations.
- iteration 26: trace = 1.040877879210226 (8.83147e-07% change)
- linmin: converged after 3 iterations.
- iteration 27: trace = 1.040877861806184 (1.67205e-06% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 1.040877831116796 (2.94841e-06% change)
- linmin: converged after 3 iterations.
- iteration 29: trace = 1.040877780705331 (4.84317e-06% change)
- linmin: converged after 3 iterations.
- iteration 30: trace = 1.040877720799278 (5.75534e-06% change)
+ iteration 26: trace = 1.040877879210208 (8.83147e-07% change)
linmin: converged after 2 iterations.
- iteration 31: trace = 1.040877666373299 (5.22885e-06% change)
+ iteration 27: trace = 1.040877861806173 (1.67205e-06% change)
+ linmin: converged after 9 iterations.
+ iteration 28: trace = 1.040877831116786 (2.94841e-06% change)
+ linmin: converged after 3 iterations.
+ iteration 29: trace = 1.040877780705328 (4.84317e-06% change)
+ linmin: converged after 11 iterations.
+ iteration 30: trace = 1.040877720799277 (5.75534e-06% change)
linmin: converged after 2 iterations.
- iteration 32: trace = 1.04087763683477 (2.83785e-06% change)
+ iteration 31: trace = 1.040877666373098 (5.22887e-06% change)
linmin: converged after 2 iterations.
- iteration 33: trace = 1.040877628021508 (8.46714e-07% change)
+ iteration 32: trace = 1.040877636834634 (2.83784e-06% change)
linmin: converged after 2 iterations.
- iteration 34: trace = 1.040877624968478 (2.93313e-07% change)
+ iteration 33: trace = 1.040877628021429 (8.46709e-07% change)
linmin: converged after 2 iterations.
- iteration 35: trace = 1.040877623448808 (1.45999e-07% change)
+ iteration 34: trace = 1.040877624968428 (2.9331e-07% change)
linmin: converged after 2 iterations.
- iteration 36: trace = 1.040877622408122 (9.99815e-08% change)
+ iteration 35: trace = 1.040877623448756 (1.45999e-07% change)
linmin: converged after 2 iterations.
- iteration 37: trace = 1.040877621570131 (8.05081e-08% change)
+ iteration 36: trace = 1.040877622408063 (9.99823e-08% change)
linmin: converged after 2 iterations.
- iteration 38: trace = 1.040877621105963 (4.45939e-08% change)
+ iteration 37: trace = 1.040877621570066 (8.05087e-08% change)
linmin: converged after 3 iterations.
- iteration 39: trace = 1.040877620899657 (1.98204e-08% change)
+ iteration 38: trace = 1.040877621105911 (4.45927e-08% change)
linmin: converged after 2 iterations.
- iteration 40: trace = 1.040877620810268 (8.58782e-09% change)
+ iteration 39: trace = 1.040877620899616 (1.98193e-08% change)
linmin: converged after 2 iterations.
- iteration 41: trace = 1.040877620768389 (4.02347e-09% change)
+ iteration 40: trace = 1.040877620810224 (8.58814e-09% change)
linmin: converged after 2 iterations.
- iteration 42: trace = 1.04087762074268 (2.46996e-09% change)
- linmin: converged after 4 iterations.
- iteration 43: trace = 1.040877620722485 (1.94014e-09% change)
- linmin: converged after 6 iterations.
- iteration 44: trace = 1.040877620697879 (2.36395e-09% change)
- linmin: converged after 4 iterations.
- iteration 45: trace = 1.040877620655525 (4.0691e-09% change)
- large trace change predicted (8.31704e-09%)
- linmin: converged after 20 iterations.
- iteration 46: trace = 1.040877620568959 (8.31662e-09% change)
- linmin: converged after 4 iterations.
- iteration 47: trace = 1.040877620412687 (1.50134e-08% change)
+ iteration 41: trace = 1.040877620768347 (4.02326e-09% change)
+ linmin: converged after 2 iterations.
+ iteration 42: trace = 1.04087762074264 (2.46972e-09% change)
+ linmin: converged after 2 iterations.
+ iteration 43: trace = 1.04087762072244 (1.94065e-09% change)
+ linmin: converged after 2 iterations.
+ iteration 44: trace = 1.040877620697845 (2.36293e-09% change)
linmin: converged after 3 iterations.
- iteration 48: trace = 1.040877620260931 (1.45796e-08% change)
- linmin: converged after 13 iterations.
- iteration 49: trace = 1.040877620187648 (7.04052e-09% change)
+ iteration 45: trace = 1.040877620655492 (4.06899e-09% change)
+ large trace change predicted (8.316e-09%)
+ linmin: converged after 23 iterations.
+ iteration 46: trace = 1.040877620568931 (8.31613e-09% change)
+ linmin: converged after 25 iterations.
+ iteration 47: trace = 1.040877620412678 (1.50117e-08% change)
linmin: converged after 4 iterations.
- iteration 50: trace = 1.040877620163347 (2.33464e-09% change)
+ iteration 48: trace = 1.040877620260928 (1.4579e-08% change)
linmin: converged after 4 iterations.
- iteration 51: trace = 1.040877620156024 (7.03587e-10% change)
- linmin: converged after 6 iterations.
- iteration 52: trace = 1.040877620153321 (2.59658e-10% change)
+ iteration 49: trace = 1.040877620187645 (7.04054e-09% change)
+ linmin: converged after 3 iterations.
+ iteration 50: trace = 1.040877620163349 (2.33417e-09% change)
+ linmin: converged after 3 iterations.
+ iteration 51: trace = 1.040877620156028 (7.03331e-10% change)
+ linmin: converged after 3 iterations.
+ iteration 52: trace = 1.040877620153325 (2.59658e-10% change)
linmin: converged after 5 iterations.
- iteration 53: trace = 1.040877620151858 (1.40581e-10% change)
- linmin: converged after 2 iterations.
- iteration 54: trace = 1.040877620150958 (8.64177e-11% change)
+ iteration 53: trace = 1.040877620151857 (1.41007e-10% change)
+ linmin: converged after 6 iterations.
+ iteration 54: trace = 1.040877620150956 (8.66524e-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: 0.40569424629211426
-Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.39455107895905206 at Vector3<0.25, 0.75, 0.5>
-Band 2 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.3967658014080566 at Vector3<0.3, 0.75, 0.45>
-Band 3 range: 0.44237076681729925 at Vector3<0.0, 0.5, 0.0> to 0.5955899630254674 at Vector3<0.0, 0.0, 0.0>
-Band 4 range: 0.44355516512198107 at Vector3<0.0, 0.5, 0.0> to 0.5958191312898853 at Vector3<0.0, 0.0, 0.0>
-Band 5 range: 0.5030135895148922 at Vector3<0.0, 0.6, 0.4> to 0.595838685692698 at Vector3<0.0, 0.0, 0.0>
-Gap from band 2 (0.3967658014080566) to band 3 (0.44237076681729925), 10.869497799551292%
-total elapsed time for run: 10.861451148986816
+Felapsed time for k point: 8.502089262008667
+Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.3945510789590513 at Vector3<0.25, 0.75, 0.5>
+Band 2 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.3967658014080589 at Vector3<0.3, 0.75, 0.45>
+Band 3 range: 0.44237076681729914 at Vector3<0.0, 0.5, 0.0> to 0.5955899630254651 at Vector3<0.0, 0.0, 0.0>
+Band 4 range: 0.4435551651219819 at Vector3<0.0, 0.5, 0.0> to 0.5958191312898842 at Vector3<0.0, 0.0, 0.0>
+Band 5 range: 0.5030135895148922 at Vector3<0.0, 0.6, 0.4> to 0.5958386856926974 at Vector3<0.0, 0.0, 0.0>
+Gap from band 2 (0.3967658014080589) to band 3 (0.44237076681729914), 10.869497799550695%
+total elapsed time for run: 195.64629125595093
done
-/tmp/meepFBAM2J/test_diamond-0: 10.87s
+/tmp/meepYM7cP9/test_diamond-0: 195.73s
-/tmp/meepFBAM2J/test_epsilon_input_file-0
+/tmp/meepYM7cP9/test_epsilon_input_file-0
========================
Initializing eigensolver data
Computing 8 bands with 1e-12 tolerance
@@ -14162,7 +14160,7 @@
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: 0.0031147003173828125
+elapsed time for initialization: 0.05435633659362793
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...
@@ -14291,7 +14289,7 @@
iteration 61: trace = 5.414470666068269 (7.21439e-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: 0.16669321060180664
+elapsed time for k point: 3.3376564979553223
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -14340,7 +14338,7 @@
iteration 22: trace = 5.384693219081504 (7.52974e-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: 0.07954716682434082
+elapsed time for k point: 1.7409069538116455
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -14383,7 +14381,7 @@
iteration 19: trace = 5.344827613715932 (7.50946e-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: 0.06921029090881348
+elapsed time for k point: 1.3683011531829834
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -14430,7 +14428,7 @@
iteration 21: trace = 5.332538776580064 (2.56833e-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: 0.07610177993774414
+elapsed time for k point: 1.3866288661956787
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -14483,7 +14481,7 @@
iteration 24: trace = 5.352151659035264 (5.86128e-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: 0.08659720420837402
+elapsed time for k point: 1.6333436965942383
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -14554,7 +14552,7 @@
iteration 33: trace = 5.378204986194201 (9.65267e-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: 0.1182551383972168
+elapsed time for k point: 1.6916067600250244
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -14609,7 +14607,7 @@
iteration 25: trace = 5.28099171481807 (8.74221e-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: 0.09027981758117676
+elapsed time for k point: 1.1868400573730469
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -14658,7 +14656,7 @@
iteration 22: trace = 5.121436678029987 (6.8537e-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: 0.07945728302001953
+elapsed time for k point: 1.1956510543823242
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -14697,7 +14695,7 @@
iteration 17: trace = 4.989265495381124 (5.02366e-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: 0.07270956039428711
+elapsed time for k point: 1.1971125602722168
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -14734,7 +14732,7 @@
iteration 16: trace = 4.906005206120705 (8.86186e-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: 0.05886530876159668
+elapsed time for k point: 0.9370296001434326
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 3 iterations.
@@ -14771,7 +14769,7 @@
iteration 16: trace = 4.877776571705258 (7.50562e-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: 0.058342695236206055
+elapsed time for k point: 1.3134238719940186
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -14808,7 +14806,7 @@
iteration 16: trace = 4.93354121021467 (4.66634e-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: 0.05843710899353027
+elapsed time for k point: 1.4226207733154297
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -14853,7 +14851,7 @@
iteration 20: trace = 5.086788979299675 (3.47464e-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: 0.07252001762390137
+elapsed time for k point: 0.9369874000549316
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -14908,7 +14906,7 @@
iteration 25: trace = 5.263256512288835 (3.41214e-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: 0.09021449089050293
+elapsed time for k point: 1.0227899551391602
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -14967,7 +14965,7 @@
iteration 27: trace = 5.362887848881173 (8.62195e-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: 0.09809732437133789
+elapsed time for k point: 0.8620927333831787
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 5 iterations.
@@ -15045,7 +15043,7 @@
iteration 36: trace = 5.414470666066688 (4.42246e-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: 0.09967207908630371
+F.elapsed time for k point: 1.1347205638885498
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4970977843772997 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.44028964105059665 at Vector3<0.5, 0.0, 0.0> to 0.5781812856814895 at Vector3<0.5, 0.5, 0.0>
Band 3 range: 0.5781815082009809 at Vector3<0.5, 0.5, 0.0> to 0.7613327775255613 at Vector3<0.0, 0.0, 0.0>
@@ -15057,15 +15055,15 @@
Gap from band 2 (0.5781812856814895) to band 3 (0.5781815082009809), 3.848610359408257e-05%
Gap from band 4 (0.8051999839699233) to band 5 (0.8170847453549128), 1.4651880980147938%
Gap from band 7 (1.0580309832489805) to band 8 (1.0660233597945301), 0.7525585747582643%
-total elapsed time for run: 1.3792695999145508
+total elapsed time for run: 22.45462393760681
done
-/tmp/meepFBAM2J/test_epsilon_input_file-0: 1.38s
+/tmp/meepYM7cP9/test_epsilon_input_file-0: 22.46s
-/tmp/meepFBAM2J/test_first_brillouin_zone-0
+/tmp/meepYM7cP9/test_first_brillouin_zone-0
========================
-/tmp/meepFBAM2J/test_first_brillouin_zone-0: 0.12s
+/tmp/meepYM7cP9/test_first_brillouin_zone-0: 1.14s
-/tmp/meepFBAM2J/test_fractional_lattice-0
+/tmp/meepYM7cP9/test_fractional_lattice-0
========================
Initializing eigensolver data
Computing 8 bands with 1e-12 tolerance
@@ -15108,7 +15106,7 @@
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: 0.0002472400665283203
+elapsed time for initialization: 0.0008814334869384766
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...
@@ -15117,147 +15115,148 @@
linmin: converged after 7 iterations.
iteration 2: trace = 83.85049109174184 (11.9223% change)
linmin: converged after 5 iterations.
- switching to approximate line minimization (decrease time by 54.7945%)
+ switching to approximate line minimization (decrease time by 55.2326%)
iteration 3: trace = 83.34611109428172 (0.603338% change)
iteration 4: trace = 83.33359978597156 (0.0150124% change)
iteration 5: trace = 83.33333949085095 (0.000312354% change)
+ switching back to exact line minimization
iteration 6: trace = 83.33333352466074 (7.15943e-06% change)
- iteration 7: trace = 83.3333333365708 (2.25708e-07% change)
- iteration 8: trace = 83.33333333338271 (3.82571e-09% change)
- iteration 9: trace = 83.33333333333447 (5.7895e-11% change)
+ linmin: converged after 2 iterations.
+ iteration 7: trace = 83.3333333365707 (2.25708e-07% change)
+ linmin: converged after 2 iterations.
+ iteration 8: trace = 83.33333333338271 (3.82559e-09% change)
+ linmin: converged after 2 iterations.
+ iteration 9: trace = 83.33333333333449 (5.78609e-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: 0.0017971992492675781
+elapsed time for k point: 0.022541284561157227
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
- linmin: converged after 10 iterations.
- iteration 1: trace = 82.33333333334653 (0.722248% change)
+ linmin: converged after 6 iterations.
+ iteration 1: trace = 82.33333333334652 (0.722248% change)
linmin: converged after 2 iterations.
- iteration 2: trace = 82.33333333333383 (1.54306e-11% change)
+ iteration 2: trace = 82.33333333333381 (1.54306e-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: 0.0012204647064208984
+elapsed time for k point: 0.015416383743286133
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 1 iterations.
- iteration 1: trace = 82.6666666666667 (6.01669e-13% change)
+ iteration 1: trace = 82.66666666666671 (5.84479e-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: 0.00021195411682128906
+elapsed time for k point: 0.0005052089691162109
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 1 iterations.
iteration 1: trace = 84.33333333333334 (5.05524e-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: 0.0002033710479736328
+elapsed time for k point: 0.0004773139953613281
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 1 iterations.
- iteration 1: trace = 87.33333333333334 (0% change)
+ iteration 1: trace = 87.33333333333331 (4.88159e-14% 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: 0.00022459030151367188
+elapsed time for k point: 0.0004508495330810547
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
- linmin: converged after 47 iterations.
- iteration 1: trace = 91.66666666666666 (0% change)
+ linmin: converged after 1 iterations.
+ iteration 1: trace = 91.66666666666669 (1.55028e-14% 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: 0.0005266666412353516
+elapsed time for k point: 0.0004558563232421875
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 62.3932%)
- iteration 1: trace = 90.66666666672697 (3.571% change)
- iteration 2: trace = 90.6666672264862 (6.17382e-07% change)
- iteration 3: trace = 90.66666666666707 (6.17448e-07% change)
- iteration 4: trace = 90.66666666666671 (3.91843e-13% change)
+ switching to approximate line minimization (decrease time by 73.7013%)
+ iteration 1: trace = 90.66666666668117 (3.571% change)
+ iteration 2: trace = 90.66666682539551 (1.75053e-07% change)
+ iteration 3: trace = 90.66666666666673 (1.75069e-07% change)
+ iteration 4: trace = 90.66666666666666 (7.83687e-14% 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: 0.00042819976806640625
+elapsed time for k point: 0.03346538543701172
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 1 iterations.
- iteration 1: trace = 91 (9.36979e-14% change)
+ iteration 1: trace = 91.00000000000001 (1.56163e-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: 0.00020194053649902344
+elapsed time for k point: 0.0005502700805664062
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 6 iterations.
- switching to approximate line minimization (decrease time by 55.3398%)
- iteration 1: trace = 92.66666666666669 (1.53355e-14% change)
+ switching to approximate line minimization (decrease time by 63.8393%)
+ iteration 1: trace = 92.66666666666671 (3.06709e-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: 0.00023627281188964844
+elapsed time for k point: 0.0005805492401123047
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
- linmin: converged after 6 iterations.
- switching to approximate line minimization (decrease time by 56.8627%)
- iteration 1: trace = 95.66666666666669 (2.97091e-14% change)
+ linmin: converged after 1 iterations.
+ iteration 1: trace = 95.66666666666667 (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: 0.00023436546325683594
+elapsed time for k point: 0.0004916191101074219
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
- linmin: converged after 45 iterations.
- iteration 1: trace = 99.99999999999999 (2.84217e-14% change)
+ linmin: converged after 40 iterations.
+ 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: 0.0005071163177490234
+elapsed time for k point: 0.01876997947692871
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
- linmin: converged after 1 iterations.
- iteration 1: trace = 91.33333333333334 (1.55593e-14% change)
+ linmin: converged after 5 iterations.
+ switching to approximate line minimization (decrease time by 52.4272%)
+ 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: 0.00020575523376464844
+elapsed time for k point: 0.0005655288696289062
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- switching to approximate line minimization (decrease time by 52.6882%)
- iteration 1: trace = 85.33333333333334 (0% change)
+ linmin: converged after 1 iterations.
+ iteration 1: trace = 85.33333333333336 (1.66533e-14% 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: 0.0002295970916748047
+elapsed time for k point: 0.000453948974609375
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- switching to approximate line minimization (decrease time by 51.0417%)
- iteration 1: trace = 82 (0% change)
+ linmin: converged after 4 iterations.
+ iteration 1: trace = 82.00000000000001 (1.73303e-14% 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: 0.0002269744873046875
+elapsed time for k point: 0.0005345344543457031
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- switching to approximate line minimization (decrease time by 54.3478%)
- iteration 1: trace = 81.33333333333333 (1.74724e-14% change)
+ linmin: converged after 33 iterations.
+ iteration 1: trace = 81.33333333333333 (0% 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: 0.00022935867309570312
+elapsed time for k point: 0.009684324264526367
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
- linmin: converged after 1 iterations.
- iteration 1: trace = 83.33333333333331 (0% change)
+ linmin: converged after 4 iterations.
+ iteration 1: trace = 83.33333333333336 (5.11591e-14% 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: 0.0001800060272216797
-Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 2.0412414523193143 at Vector3<0.5, 0.5, 0.0>
-Band 2 range: 1.4433756729740648 at Vector3<0.5, 0.0, 0.0> to 2.8867513459481358 at Vector3<0.0, 0.0, 0.0>
-Band 3 range: 2.0412414523193156 at Vector3<0.5, 0.5, 0.0> to 3.2274861218395086 at Vector3<0.5, 0.0, 0.0>
-Band 4 range: 2.0412414523193165 at Vector3<0.5, 0.5, 0.0> to 3.2659863237109032 at Vector3<0.19999999999999996, 0.19999999999999996, 0.0>
-Band 5 range: 2.886751345948131 at Vector3<0.0, 0.0, 0.0> to 4.564354645876384 at Vector3<0.5, 0.5, 0.0>
-Band 6 range: 3.2274861218395143 at Vector3<0.5, 0.0, 0.0> to 4.564354645876385 at Vector3<0.5, 0.5, 0.0>
-Band 7 range: 3.6968455021364717 at Vector3<0.2, 0.0, 0.0> to 4.564354645876387 at Vector3<0.5, 0.5, 0.0>
-Band 8 range: 4.082482904638633 at Vector3<0.0, 0.0, 0.0> to 5.204164998665332 at Vector3<0.5, 0.0, 0.0>
-total elapsed time for run: 0.007491111755371094
+.elapsed time for k point: 0.0006079673767089844
+Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 2.0412414523193134 at Vector3<0.5, 0.5, 0.0>
+Band 2 range: 1.443375672974065 at Vector3<0.5, 0.0, 0.0> to 2.88675134594814 at Vector3<0.0, 0.0, 0.0>
+Band 3 range: 2.041241452319315 at Vector3<0.5, 0.5, 0.0> to 3.2274861218395126 at Vector3<0.5, 0.0, 0.0>
+Band 4 range: 2.0412414523193165 at Vector3<0.5, 0.5, 0.0> to 3.2659863237109015 at Vector3<0.19999999999999996, 0.19999999999999996, 0.0>
+Band 5 range: 2.886751345948132 at Vector3<0.0, 0.0, 0.0> to 4.564354645876382 at Vector3<0.5, 0.5, 0.0>
+Band 6 range: 3.227486121839518 at Vector3<0.5, 0.0, 0.0> to 4.564354645876384 at Vector3<0.5, 0.5, 0.0>
+Band 7 range: 3.696845502136474 at Vector3<0.2, 0.0, 0.0> to 4.564354645876387 at Vector3<0.5, 0.5, 0.0>
+Band 8 range: 4.082482904638633 at Vector3<0.0, 0.0, 0.0> to 5.204164998665333 at Vector3<0.5, 0.0, 0.0>
+total elapsed time for run: 0.10832595825195312
done
-/tmp/meepFBAM2J/test_fractional_lattice-0: 0.01s
+/tmp/meepYM7cP9/test_fractional_lattice-0: 0.12s
-/tmp/meepFBAM2J/test_get_bfield-0
+/tmp/meepYM7cP9/test_get_bfield-0
========================
Initializing eigensolver data
Computing 8 bands with 1e-12 tolerance
@@ -15300,7 +15299,7 @@
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: 0.0017638206481933594
+elapsed time for initialization: 0.017528057098388672
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...
@@ -15411,7 +15410,7 @@
iteration 52: trace = 5.548117725324876 (4.74496e-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: 0.1429154872894287
+elapsed time for k point: 2.0425100326538086
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -15662,7 +15661,7 @@
iteration 121: trace = 5.540497242579415 (3.78965e-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: 0.587630033493042
+elapsed time for k point: 6.939607381820679
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -15719,7 +15718,7 @@
iteration 26: trace = 5.499374946276072 (6.76061e-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: 0.09328675270080566
+elapsed time for k point: 1.9058446884155273
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -15772,7 +15771,7 @@
iteration 24: trace = 5.485459080087868 (6.14144e-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: 0.08642053604125977
+elapsed time for k point: 1.9305508136749268
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -15833,7 +15832,7 @@
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: 0.10030388832092285
+elapsed time for k point: 1.9384937286376953
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -15926,7 +15925,7 @@
iteration 44: trace = 5.538866868553965 (9.66452e-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: 0.15601873397827148
+elapsed time for k point: 2.729388952255249
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -15997,7 +15996,7 @@
iteration 33: trace = 5.419797732958394 (9.1099e-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: 0.1176760196685791
+elapsed time for k point: 1.9311351776123047
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -16058,7 +16057,7 @@
iteration 28: trace = 5.240853948733916 (3.69619e-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: 0.10050725936889648
+elapsed time for k point: 1.8293559551239014
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -16111,7 +16110,7 @@
iteration 24: trace = 5.09654427341062 (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: 0.0863499641418457
+elapsed time for k point: 1.75468111038208
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -16163,7 +16162,7 @@
iteration 23: trace = 5.006436496341392 (6.08684e-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: 0.08297157287597656
+elapsed time for k point: 0.7632179260253906
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -16215,7 +16214,7 @@
iteration 23: trace = 4.975984265381787 (5.44582e-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: 0.08250951766967773
+elapsed time for k point: 0.6652059555053711
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -16256,7 +16255,7 @@
iteration 18: trace = 5.036378479895265 (5.47222e-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: 0.06578803062438965
+elapsed time for k point: 1.0130250453948975
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -16303,7 +16302,7 @@
iteration 21: trace = 5.206566305891685 (3.93717e-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: 0.07579803466796875
+elapsed time for k point: 1.0273382663726807
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -16366,7 +16365,7 @@
iteration 29: trace = 5.417088766409226 (6.14845e-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: 0.10381484031677246
+elapsed time for k point: 1.810429573059082
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -16439,7 +16438,7 @@
iteration 34: trace = 5.522267645664736 (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: 0.12133216857910156
+elapsed time for k point: 1.5043377876281738
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 5 iterations.
@@ -16634,7 +16633,7 @@
iteration 93: trace = 5.548117725324989 (3.6948e-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: 0.25202202796936035
+elapsed time for k point: 2.8213396072387695
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0>
Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0>
@@ -16646,12 +16645,12 @@
Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383%
Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081%
Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186%
-total elapsed time for run: 2.258134365081787
+total elapsed time for run: 32.641899824142456
done
Fixing b-field (band 8) phase by -1 + 2.61271e-07i; max ampl. = 4.48388
-./tmp/meepFBAM2J/test_get_bfield-0: 2.26s
+./tmp/meepYM7cP9/test_get_bfield-0: 32.72s
-/tmp/meepFBAM2J/test_get_dfield-0
+/tmp/meepYM7cP9/test_get_dfield-0
========================
Initializing eigensolver data
Computing 8 bands with 1e-12 tolerance
@@ -16694,7 +16693,7 @@
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: 0.0016415119171142578
+elapsed time for initialization: 0.028900861740112305
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...
@@ -16805,7 +16804,7 @@
iteration 52: trace = 5.548117725324876 (4.74496e-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: 0.1418149471282959
+elapsed time for k point: 1.5683903694152832
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -17056,7 +17055,7 @@
iteration 121: trace = 5.540497242579415 (3.78965e-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: 0.4266531467437744
+elapsed time for k point: 7.781702041625977
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -17113,7 +17112,7 @@
iteration 26: trace = 5.499374946276072 (6.76061e-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: 0.0935068130493164
+elapsed time for k point: 2.0101003646850586
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -17166,7 +17165,7 @@
iteration 24: trace = 5.485459080087868 (6.14144e-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: 0.08687663078308105
+elapsed time for k point: 1.7626080513000488
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -17227,7 +17226,7 @@
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: 0.1003274917602539
+elapsed time for k point: 1.9487206935882568
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -17320,7 +17319,7 @@
iteration 44: trace = 5.538866868553965 (9.66452e-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: 0.15612077713012695
+elapsed time for k point: 2.805699110031128
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -17391,7 +17390,7 @@
iteration 33: trace = 5.419797732958394 (9.1099e-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: 0.11764717102050781
+elapsed time for k point: 1.9196767807006836
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -17452,7 +17451,7 @@
iteration 28: trace = 5.240853948733916 (3.69619e-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: 0.10039806365966797
+elapsed time for k point: 1.5265815258026123
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -17505,7 +17504,7 @@
iteration 24: trace = 5.09654427341062 (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: 0.08618974685668945
+elapsed time for k point: 1.5344960689544678
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -17557,7 +17556,7 @@
iteration 23: trace = 5.006436496341392 (6.08684e-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: 0.0830526351928711
+elapsed time for k point: 1.4025228023529053
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -17609,7 +17608,7 @@
iteration 23: trace = 4.975984265381787 (5.44582e-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: 0.08276772499084473
+elapsed time for k point: 1.4136507511138916
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -17650,7 +17649,7 @@
iteration 18: trace = 5.036378479895265 (5.47222e-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: 0.06567144393920898
+elapsed time for k point: 0.807586669921875
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -17697,7 +17696,7 @@
iteration 21: trace = 5.206566305891685 (3.93717e-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: 0.07594037055969238
+elapsed time for k point: 0.825589656829834
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -17760,7 +17759,7 @@
iteration 29: trace = 5.417088766409226 (6.14845e-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: 0.10435891151428223
+elapsed time for k point: 1.466672658920288
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -17833,7 +17832,7 @@
iteration 34: trace = 5.522267645664736 (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: 0.12193942070007324
+elapsed time for k point: 1.5876998901367188
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 5 iterations.
@@ -18028,7 +18027,7 @@
iteration 93: trace = 5.548117725324989 (3.6948e-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: 0.25220441818237305
+elapsed time for k point: 3.7722790241241455
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0>
Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0>
@@ -18040,12 +18039,12 @@
Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383%
Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081%
Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186%
-total elapsed time for run: 2.0981523990631104
+total elapsed time for run: 34.20751953125
done
Fixing d-field (band 8) phase by 2.61271e-07 + 1i; max ampl. = 8.66842
-./tmp/meepFBAM2J/test_get_dfield-0: 2.10s
+./tmp/meepYM7cP9/test_get_dfield-0: 34.25s
-/tmp/meepFBAM2J/test_get_efield-0
+/tmp/meepYM7cP9/test_get_efield-0
========================
Initializing eigensolver data
Computing 8 bands with 1e-12 tolerance
@@ -18088,7 +18087,7 @@
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: 0.0016217231750488281
+elapsed time for initialization: 0.020824193954467773
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...
@@ -18199,7 +18198,7 @@
iteration 52: trace = 5.548117725324876 (4.74496e-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: 0.14215731620788574
+elapsed time for k point: 2.4353652000427246
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -18450,7 +18449,7 @@
iteration 121: trace = 5.540497242579415 (3.78965e-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: 0.4267873764038086
+elapsed time for k point: 4.822042226791382
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -18507,7 +18506,7 @@
iteration 26: trace = 5.499374946276072 (6.76061e-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: 0.09350466728210449
+elapsed time for k point: 1.5325207710266113
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -18560,7 +18559,7 @@
iteration 24: trace = 5.485459080087868 (6.14144e-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: 0.0866391658782959
+elapsed time for k point: 1.0387341976165771
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -18621,7 +18620,7 @@
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: 0.10043215751647949
+elapsed time for k point: 1.4392273426055908
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -18714,7 +18713,7 @@
iteration 44: trace = 5.538866868553965 (9.66452e-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: 0.15606188774108887
+elapsed time for k point: 2.144808530807495
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -18785,7 +18784,7 @@
iteration 33: trace = 5.419797732958394 (9.1099e-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: 0.11764860153198242
+elapsed time for k point: 1.8928961753845215
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -18846,7 +18845,7 @@
iteration 28: trace = 5.240853948733916 (3.69619e-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: 0.10051417350769043
+elapsed time for k point: 1.503748893737793
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -18899,7 +18898,7 @@
iteration 24: trace = 5.09654427341062 (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: 0.08663010597229004
+elapsed time for k point: 1.4935901165008545
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -18951,7 +18950,7 @@
iteration 23: trace = 5.006436496341392 (6.08684e-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: 0.08305120468139648
+elapsed time for k point: 2.0763909816741943
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -19003,7 +19002,7 @@
iteration 23: trace = 4.975984265381787 (5.44582e-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: 0.08244895935058594
+elapsed time for k point: 0.7893269062042236
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -19044,7 +19043,7 @@
iteration 18: trace = 5.036378479895265 (5.47222e-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: 0.06574225425720215
+elapsed time for k point: 1.459606647491455
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -19091,7 +19090,7 @@
iteration 21: trace = 5.206566305891685 (3.93717e-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: 0.07638263702392578
+elapsed time for k point: 1.0939068794250488
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -19154,7 +19153,7 @@
iteration 29: trace = 5.417088766409226 (6.14845e-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: 0.1583263874053955
+elapsed time for k point: 1.220313549041748
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -19227,7 +19226,7 @@
iteration 34: trace = 5.522267645664736 (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: 0.1716938018798828
+elapsed time for k point: 1.4702794551849365
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 5 iterations.
@@ -19422,7 +19421,7 @@
iteration 93: trace = 5.548117725324989 (3.6948e-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: 0.3236124515533447
+elapsed time for k point: 3.8745272159576416
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0>
Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0>
@@ -19434,12 +19433,12 @@
Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383%
Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081%
Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186%
-total elapsed time for run: 2.2745707035064697
+total elapsed time for run: 30.311590909957886
done
Fixing e-field (band 8) phase by 2.61271e-07 + 1i; max ampl. = 1.10099
-./tmp/meepFBAM2J/test_get_efield-0: 2.28s
+./tmp/meepYM7cP9/test_get_efield-0: 30.35s
-/tmp/meepFBAM2J/test_get_eigenvectors-0
+/tmp/meepYM7cP9/test_get_eigenvectors-0
========================
Initializing eigensolver data
Computing 8 bands with 1e-12 tolerance
@@ -19482,7 +19481,7 @@
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: 0.0024001598358154297
+elapsed time for initialization: 0.012727499008178711
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...
@@ -19593,7 +19592,7 @@
iteration 52: trace = 5.548117725324876 (4.74496e-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: 0.18428325653076172
+elapsed time for k point: 1.6076083183288574
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
@@ -19852,7 +19851,7 @@
iteration 121: trace = 5.540497242579407 (3.78003e-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: 0.6616377830505371
+elapsed time for k point: 5.314785480499268
Fixing h-field (band 1) phase by -1 + 2.61427e-07i; max ampl. = 1.02721
Fixing h-field (band 2) phase by -0.999999 + 0.00113019i; max ampl. = 5.09036
Fixing h-field (band 3) phase by 0.000419897 + -1i; max ampl. = 3.73536
@@ -19917,7 +19916,7 @@
iteration 26: trace = 5.499374946276069 (6.7703e-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: 0.1569063663482666
+elapsed time for k point: 1.1448941230773926
Fixing h-field (band 1) phase by 1 + -4.12194e-12i; max ampl. = 1.11365
Fixing h-field (band 2) phase by -1 + 5.21223e-09i; max ampl. = 4.92243
Fixing h-field (band 3) phase by -1.10235e-09 + 1i; max ampl. = 2.65638
@@ -19978,7 +19977,7 @@
iteration 24: trace = 5.485459080087862 (6.15439e-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: 0.11758780479431152
+elapsed time for k point: 1.1741926670074463
Fixing h-field (band 1) phase by 1 + 7.1591e-16i; max ampl. = 1.27437
Fixing h-field (band 2) phase by -1 + -7.98183e-14i; max ampl. = 4.45322
Fixing h-field (band 3) phase by 1 + 2.69267e-13i; max ampl. = 2.62315
@@ -20047,7 +20046,7 @@
iteration 28: trace = 5.504362091981044 (5.80731e-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: 0.16023564338684082
+elapsed time for k point: 1.1525752544403076
Fixing h-field (band 1) phase by 1 + 2.84818e-17i; max ampl. = 1.5052
Fixing h-field (band 2) phase by -1 + -6.0752e-14i; max ampl. = 3.59052
Fixing h-field (band 3) phase by -1 + 4.06662e-15i; max ampl. = 3.69829
@@ -20148,7 +20147,7 @@
iteration 44: trace = 5.53886686855396 (9.67896e-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: 0.21492314338684082
+elapsed time for k point: 1.9868111610412598
Fixing h-field (band 1) phase by 1 + 2.84834e-16i; max ampl. = 1.38878
Fixing h-field (band 2) phase by 1 + 4.42688e-16i; max ampl. = 3.48407
Fixing h-field (band 3) phase by 1 + -8.91348e-15i; max ampl. = 4.1103
@@ -20227,7 +20226,7 @@
iteration 33: trace = 5.419797732958385 (9.1181e-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: 0.9367995262145996
+elapsed time for k point: 0.8991637229919434
Fixing h-field (band 1) phase by 1 + -2.11651e-16i; max ampl. = 1.39153
Fixing h-field (band 2) phase by -1 + 9.73269e-13i; max ampl. = 3.54504
Fixing h-field (band 3) phase by 1 + -1.10938e-14i; max ampl. = 3.95334
@@ -20296,7 +20295,7 @@
iteration 28: trace = 5.240853948733919 (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: 0.10136151313781738
+elapsed time for k point: 1.286759614944458
Fixing h-field (band 1) phase by 1 + -1.44601e-15i; max ampl. = 1.40192
Fixing h-field (band 2) phase by -1 + -1.47743e-12i; max ampl. = 3.73151
Fixing h-field (band 3) phase by 1 + -6.29985e-13i; max ampl. = 3.50756
@@ -20357,7 +20356,7 @@
iteration 24: trace = 5.096544273410624 (7.60169e-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: 0.12679457664489746
+elapsed time for k point: 1.5196475982666016
Fixing h-field (band 1) phase by 1 + 9.38664e-13i; max ampl. = 4.05119
Fixing h-field (band 2) phase by 1 + 1.41968e-15i; max ampl. = 1.42991
Fixing h-field (band 3) phase by 1 + -1.85784e-12i; max ampl. = 2.78416
@@ -20417,7 +20416,7 @@
iteration 23: trace = 5.00643649634139 (6.07265e-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: 0.1379985809326172
+elapsed time for k point: 0.9352724552154541
Fixing h-field (band 1) phase by 1 + 2.68134e-16i; max ampl. = 4.46619
Fixing h-field (band 2) phase by 1 + -6.0366e-12i; max ampl. = 1.51506
Fixing h-field (band 3) phase by 1 + -3.86248e-15i; max ampl. = 1.66014
@@ -20477,7 +20476,7 @@
iteration 23: trace = 4.975984265381783 (5.45296e-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: 0.12860631942749023
+elapsed time for k point: 0.935941219329834
Fixing h-field (band 1) phase by 1 + 4.59531e-16i; max ampl. = 4.70977
Fixing h-field (band 2) phase by 1 + 3.56321e-14i; max ampl. = 1.38038
Fixing h-field (band 3) phase by -3.00373e-14 + 1i; max ampl. = 1.85505
@@ -20526,7 +20525,7 @@
iteration 18: trace = 5.036378479895268 (5.46164e-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: 0.09948945045471191
+elapsed time for k point: 1.0986223220825195
Fixing h-field (band 1) phase by 1 + -1.62776e-16i; max ampl. = 3.59873
Fixing h-field (band 2) phase by 1 + -1.61911e-16i; max ampl. = 3.10702
Fixing h-field (band 3) phase by -7.36723e-10 + -1i; max ampl. = 1.92561
@@ -20581,7 +20580,7 @@
iteration 21: trace = 5.206566305891691 (3.91841e-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: 0.10466384887695312
+elapsed time for k point: 0.9537887573242188
Fixing h-field (band 1) phase by 1 + 7.58827e-17i; max ampl. = 1.81199
Fixing h-field (band 2) phase by -1 + -3.10572e-16i; max ampl. = 4.51433
Fixing h-field (band 3) phase by -1.25666e-09 + 1i; max ampl. = 2.16532
@@ -20652,7 +20651,7 @@
iteration 29: trace = 5.417088766409227 (6.15173e-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: 0.1353468894958496
+elapsed time for k point: 1.0001890659332275
Fixing h-field (band 1) phase by 1 + -1.02199e-16i; max ampl. = 1.2604
Fixing h-field (band 2) phase by -1 + -5.27148e-17i; max ampl. = 4.86397
Fixing h-field (band 3) phase by -6.75994e-10 + 1i; max ampl. = 2.6696
@@ -20733,7 +20732,7 @@
iteration 34: trace = 5.522267645664733 (5.18213e-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: 0.18167781829833984
+elapsed time for k point: 0.9211916923522949
Fixing h-field (band 1) phase by 1 + 2.70996e-16i; max ampl. = 1.05606
Fixing h-field (band 2) phase by -1 + 1.12018e-15i; max ampl. = 5.06002
Fixing h-field (band 3) phase by -5.14782e-10 + 1i; max ampl. = 3.59476
@@ -20936,7 +20935,7 @@
iteration 93: trace = 5.548117725324992 (3.7124e-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: 0.32427120208740234
+elapsed time for k point: 2.0768752098083496
Fixing h-field (band 1) phase by 1 + -0i; max ampl. = 1
Fixing h-field (band 2) phase by 1 + 1.5467e-14i; max ampl. = 5.12967
Fixing h-field (band 3) phase by 8.70998e-12 + 1i; max ampl. = 4.27896
@@ -20956,11 +20955,11 @@
Gap from band 2 (0.593140514116089) to band 3 (0.5931535863117835), 0.002203870977651936%
Gap from band 4 (0.8096891551677103) to band 5 (0.8241814443502159), 1.7739824912427593%
Gap from band 7 (1.0860729323594152) to band 8 (1.0878689635052694), 0.16523267243441003%
-total elapsed time for run: 3.7943921089172363
+total elapsed time for run: 24.164469242095947
done
-/tmp/meepFBAM2J/test_get_eigenvectors-0: 3.82s
+/tmp/meepYM7cP9/test_get_eigenvectors-0: 24.30s
-/tmp/meepFBAM2J/test_get_hfield-0
+/tmp/meepYM7cP9/test_get_hfield-0
========================
Initializing eigensolver data
Computing 8 bands with 1e-12 tolerance
@@ -21003,7 +21002,7 @@
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: 0.0017254352569580078
+elapsed time for initialization: 0.005038022994995117
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...
@@ -21114,7 +21113,7 @@
iteration 52: trace = 5.548117725324876 (4.74496e-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: 0.18262195587158203
+elapsed time for k point: 0.5609569549560547
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -21365,7 +21364,7 @@
iteration 121: trace = 5.540497242579415 (3.78965e-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: 0.6155452728271484
+elapsed time for k point: 2.4866514205932617
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -21422,7 +21421,7 @@
iteration 26: trace = 5.499374946276072 (6.76061e-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: 0.11363482475280762
+elapsed time for k point: 0.8765923976898193
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -21475,7 +21474,7 @@
iteration 24: trace = 5.485459080087868 (6.14144e-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: 0.1386702060699463
+elapsed time for k point: 0.9725062847137451
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -21536,7 +21535,7 @@
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: 0.1554563045501709
+elapsed time for k point: 1.0482406616210938
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -21629,7 +21628,7 @@
iteration 44: trace = 5.538866868553965 (9.66452e-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: 0.2102346420288086
+elapsed time for k point: 1.6834969520568848
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -21700,7 +21699,7 @@
iteration 33: trace = 5.419797732958394 (9.1099e-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: 0.17032408714294434
+elapsed time for k point: 2.4145936965942383
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -21761,7 +21760,7 @@
iteration 28: trace = 5.240853948733916 (3.69619e-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: 0.138991117477417
+elapsed time for k point: 2.1419553756713867
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -21814,7 +21813,7 @@
iteration 24: trace = 5.09654427341062 (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: 0.10940766334533691
+elapsed time for k point: 1.9265732765197754
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -21866,7 +21865,7 @@
iteration 23: trace = 5.006436496341392 (6.08684e-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: 0.10004115104675293
+elapsed time for k point: 1.9598126411437988
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -21918,7 +21917,7 @@
iteration 23: trace = 4.975984265381787 (5.44582e-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: 0.10111737251281738
+elapsed time for k point: 1.814249038696289
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -21959,7 +21958,7 @@
iteration 18: trace = 5.036378479895265 (5.47222e-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: 0.1040506362915039
+elapsed time for k point: 1.0492990016937256
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -22006,7 +22005,7 @@
iteration 21: trace = 5.206566305891685 (3.93717e-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: 0.10631871223449707
+elapsed time for k point: 0.7598831653594971
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -22069,7 +22068,7 @@
iteration 29: trace = 5.417088766409226 (6.14845e-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: 0.16072440147399902
+elapsed time for k point: 1.3471479415893555
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -22142,7 +22141,7 @@
iteration 34: trace = 5.522267645664736 (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: 0.16162538528442383
+elapsed time for k point: 3.2119061946868896
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 5 iterations.
@@ -22337,7 +22336,7 @@
iteration 93: trace = 5.548117725324989 (3.6948e-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: 0.36371612548828125
+elapsed time for k point: 5.3867347240448
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0>
Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0>
@@ -22349,12 +22348,12 @@
Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383%
Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081%
Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186%
-total elapsed time for run: 2.9361631870269775
+total elapsed time for run: 29.64911413192749
done
Fixing h-field (band 8) phase by -1 + 2.61271e-07i; max ampl. = 4.48388
-./tmp/meepFBAM2J/test_get_hfield-0: 2.94s
+./tmp/meepYM7cP9/test_get_hfield-0: 29.72s
-/tmp/meepFBAM2J/test_handle_cvector-0
+/tmp/meepYM7cP9/test_handle_cvector-0
========================
Initializing eigensolver data
Computing 8 bands with 1e-12 tolerance
@@ -22397,7 +22396,7 @@
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: 0.0024793148040771484
+elapsed time for initialization: 0.06164860725402832
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...
@@ -22452,7 +22451,7 @@
iteration 24: trace = 4.5778946265728 (4.37309e-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: 0.11702942848205566
+elapsed time for k point: 1.4495561122894287
solve_kpoint (0,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -22493,7 +22492,7 @@
iteration 18: trace = 4.546667003404458 (4.24294e-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: 0.09029197692871094
+elapsed time for k point: 1.324094533920288
solve_kpoint (0,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -22528,7 +22527,7 @@
iteration 15: trace = 4.456771796562707 (4.08938e-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: 0.08357715606689453
+elapsed time for k point: 1.188709020614624
solve_kpoint (0,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -22561,7 +22560,7 @@
iteration 14: trace = 4.364565233298256 (3.14607e-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: 0.08623838424682617
+elapsed time for k point: 1.3404672145843506
solve_kpoint (0,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -22592,7 +22591,7 @@
iteration 13: trace = 4.304069964437605 (7.18332e-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: 0.0576930046081543
+elapsed time for k point: 0.9330387115478516
solve_kpoint (0,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -22623,7 +22622,7 @@
iteration 13: trace = 4.283477065616429 (4.147e-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: 0.05593562126159668
+elapsed time for k point: 0.7608094215393066
solve_kpoint (-0.0666667,0.466667,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -22652,7 +22651,7 @@
iteration 12: trace = 4.264474631199774 (8.72667e-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: 0.051038503646850586
+elapsed time for k point: 0.6156439781188965
solve_kpoint (-0.133333,0.433333,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -22681,7 +22680,7 @@
iteration 12: trace = 4.228595652264468 (8.17059e-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: 0.05946969985961914
+elapsed time for k point: 0.6883611679077148
solve_kpoint (-0.2,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -22706,7 +22705,7 @@
iteration 10: trace = 4.19657782122971 (9.13665e-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: 0.04817533493041992
+elapsed time for k point: 0.7527198791503906
solve_kpoint (-0.266667,0.366667,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -22731,7 +22730,7 @@
iteration 10: trace = 4.17565176133351 (5.30059e-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: 0.06426835060119629
+elapsed time for k point: 0.8924767971038818
solve_kpoint (-0.333333,0.333333,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -22754,7 +22753,7 @@
iteration 9: trace = 4.168411689609144 (8.90221e-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: 0.05451035499572754
+elapsed time for k point: 0.6748359203338623
Fixing e-field (band 1) phase by -1 + 4.11947e-08i; max ampl. = 0.93911
Fixing e-field (band 2) phase by -4.11947e-08 + -1i; max ampl. = 1.08316
Fixing e-field (band 3) phase by 1 + -4.11947e-08i; max ampl. = 0.877953
@@ -22789,7 +22788,7 @@
iteration 11: trace = 4.197854050309301 (1.33506e-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: 0.05209159851074219
+elapsed time for k point: 0.8200697898864746
solve_kpoint (-0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -22818,7 +22817,7 @@
iteration 12: trace = 4.283266488990682 (1.1156e-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: 0.0769510269165039
+elapsed time for k point: 0.6947140693664551
solve_kpoint (-0.133333,0.133333,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -22849,7 +22848,7 @@
iteration 13: trace = 4.410102274545235 (2.52551e-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: 0.08256864547729492
+elapsed time for k point: 0.919581413269043
solve_kpoint (-0.0666667,0.0666667,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -22888,7 +22887,7 @@
iteration 17: trace = 4.534517622757205 (7.84657e-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: 0.09500837326049805
+elapsed time for k point: 1.5556161403656006
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 4 iterations.
@@ -22925,7 +22924,7 @@
iteration 16: trace = 4.577894626572485 (2.54547e-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: 0.07941031455993652
+elapsed time for k point: 0.8570616245269775
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2746902258623629 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
Band 2 range: 0.4453310808471575 at Vector3<0.0, 0.5, 0.0> to 0.5605181423162836 at Vector3<0.0, 0.0, 0.0>
Band 3 range: 0.4902389149027673 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.5605607947797744 at Vector3<0.0, 0.0, 0.0>
@@ -22939,7 +22938,7 @@
Gap from band 4 (0.7907195974443696) to band 5 (0.7908320763327565), 0.01422386511321756%
Gap from band 5 (0.8374511167537543) to band 6 (0.8375948528443258), 0.01716204727276697%
Gap from band 6 (0.8672009264903452) to band 7 (0.8691349955739195), 0.2227759109279908%
-total elapsed time for run: 1.1625080108642578
+total elapsed time for run: 15.626765727996826
done
Read lattice vectors
Read Bloch wavevector (-0.333333, 0.333333, 0)
@@ -22957,9 +22956,9 @@
imag part range: 0 .. 0
real part range: -1.03932 .. 1.03493
imag part range: -1.08496 .. 1.08496
-./tmp/meepFBAM2J/test_handle_cvector-0: 1.20s
+./tmp/meepYM7cP9/test_handle_cvector-0: 16.27s
-/tmp/meepFBAM2J/test_hermitian_eps-0
+/tmp/meepYM7cP9/test_hermitian_eps-0
========================
Initializing eigensolver data
Computing 10 bands with 1e-12 tolerance
@@ -22997,7 +22996,7 @@
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: 0.0034072399139404297
+elapsed time for initialization: 0.07009577751159668
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...
@@ -27239,7 +27238,7 @@
iteration 1890: trace = 2.393039433651856 (8.96144e-11% change)
Finished solving for bands 2 to 10 after 1890 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: 12.512332677841187
+elapsed time for k point: 223.71239137649536
solve_kpoint (0.166667,0,0):
Solving for bands 1 to 10...
linmin: converged after 5 iterations.
@@ -30536,7 +30535,7 @@
iteration 1452: trace = 2.412629747527517 (5.70428e-11% change)
Finished solving for bands 1 to 10 after 1452 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: 11.149043321609497
+elapsed time for k point: 188.64310598373413
solve_kpoint (0.333333,0,0):
Solving for bands 1 to 10...
linmin: converged after 4 iterations.
@@ -33810,7 +33809,7 @@
iteration 1463: trace = 2.451789423162954 (8.10551e-11% change)
Finished solving for bands 1 to 10 after 1463 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: 11.323221445083618
+elapsed time for k point: 152.44713068008423
solve_kpoint (0.5,0,0):
Solving for bands 1 to 10...
linmin: converged after 4 iterations.
@@ -36637,7 +36636,7 @@
iteration 1257: trace = 2.449292757577576 (7.28517e-11% change)
Finished solving for bands 1 to 10 after 1257 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: 12.661685705184937
+elapsed time for k point: 117.87190580368042
solve_kpoint (0.5,0.166667,0):
Solving for bands 1 to 10...
linmin: converged after 4 iterations.
@@ -38966,7 +38965,7 @@
iteration 1035: trace = 2.48586519505634 (7.8086e-11% change)
Finished solving for bands 1 to 10 after 1035 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: 11.459135293960571
+elapsed time for k point: 86.12350511550903
solve_kpoint (0.5,0.333333,0):
Solving for bands 1 to 10...
linmin: converged after 5 iterations.
@@ -40542,7 +40541,7 @@
iteration 696: trace = 2.578881665297254 (5.93926e-11% change)
Finished solving for bands 1 to 10 after 696 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: 7.066835165023804
+elapsed time for k point: 68.19681811332703
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 10...
linmin: converged after 5 iterations.
@@ -41690,7 +41689,7 @@
iteration 507: trace = 2.653860956900614 (6.66336e-11% change)
Finished solving for bands 1 to 10 after 507 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: 3.883124589920044
+elapsed time for k point: 44.17159605026245
solve_kpoint (0.333333,0.333333,0):
Solving for bands 1 to 10...
linmin: converged after 5 iterations.
@@ -43110,7 +43109,7 @@
iteration 624: trace = 2.532226604596985 (7.32015e-11% change)
Finished solving for bands 1 to 10 after 624 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: 4.782995223999023
+elapsed time for k point: 48.83384108543396
solve_kpoint (0.166667,0.166667,0):
Solving for bands 1 to 10...
linmin: converged after 6 iterations.
@@ -45057,7 +45056,7 @@
iteration 863: trace = 2.429159854303058 (6.45889e-11% change)
Finished solving for bands 1 to 10 after 863 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: 6.6189680099487305
+elapsed time for k point: 72.6601951122284
solve_kpoint (0,0,0):
Solving for bands 2 to 10...
linmin: converged after 4 iterations.
@@ -46436,7 +46435,7 @@
iteration 612: trace = 2.393039432060148 (9.63879e-11% change)
Finished solving for bands 2 to 10 after 612 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: 3.914459466934204
+.elapsed time for k point: 52.80414175987244
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.21564852630526718 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.26588497856380056 at Vector3<0.0, 0.0, 0.0> to 0.35463024054718184 at Vector3<0.33333333333333337, 0.33333333333333337, 0.0>
Band 3 range: 0.3562142355910895 at Vector3<0.16666666666666669, 0.16666666666666669, 0.0> to 0.36527833517897584 at Vector3<0.5, 0.0, 0.0>
@@ -46452,11 +46451,11 @@
Gap from band 3 (0.36527833517897584) to band 4 (0.3689901366641175), 1.0110202541652482%
Gap from band 7 (0.6079200818062316) to band 8 (0.6150518764858982), 1.1663055119638421%
Gap from band 8 (0.6356807846306177) to band 9 (0.6397097609322201), 0.6318027549474047%
-total elapsed time for run: 85.37639451026917
+total elapsed time for run: 1055.5373306274414
done
-/tmp/meepFBAM2J/test_hermitian_eps-0: 85.38s
+/tmp/meepYM7cP9/test_hermitian_eps-0: 1055.58s
-/tmp/meepFBAM2J/test_hole_slab-0
+/tmp/meepYM7cP9/test_hole_slab-0
========================
Initializing eigensolver data
Computing 9 bands with 1e-12 tolerance
@@ -46490,7 +46489,7 @@
Initializing fields to random numbers...
1 k-points
Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
-elapsed time for initialization: 0.12424325942993164
+elapsed time for initialization: 0.9845685958862305
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...
@@ -46559,17 +46558,17 @@
iteration 31: trace = 2.187958069704338 (9.32646e-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: 27.61581516265869
-total elapsed time for run: 27.740251541137695
+elapsed time for k point: 206.26446628570557
+total elapsed time for run: 207.24923086166382
done
Fixing h-field (band 9) phase by 0.0246538 + 0.999696i; max ampl. = 2.37913
-FOutputting fields to /tmp/meepFBAM2J/test_hole_slab-0-h.k01.b09.z.zeven.h5...
+FOutputting fields to /tmp/meepYM7cP9/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 = 0.8948468239076676 s
-/tmp/meepFBAM2J/test_hole_slab-0: 27.78s
+mean time per iteration = 6.685459060053671 s
+/tmp/meepYM7cP9/test_hole_slab-0: 207.35s
-/tmp/meepFBAM2J/test_honey_rods-0
+/tmp/meepYM7cP9/test_honey_rods-0
========================
Initializing eigensolver data
Computing 8 bands with 1e-12 tolerance
@@ -46614,7 +46613,7 @@
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: 0.0034444332122802734
+elapsed time for initialization: 0.02525043487548828
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...
@@ -46700,7 +46699,7 @@
iteration 38: trace = 4.384870359114359 (2.58866e-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: 0.1817033290863037
+elapsed time for k point: 1.1219372749328613
solve_kpoint (0,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -46774,7 +46773,7 @@
iteration 34: trace = 4.363900038828969 (4.22729e-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: 0.19469404220581055
+elapsed time for k point: 1.2723057270050049
solve_kpoint (0,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -46813,7 +46812,7 @@
iteration 17: trace = 4.325994457593165 (2.52944e-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: 0.09661078453063965
+elapsed time for k point: 0.604252815246582
solve_kpoint (0,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -46850,7 +46849,7 @@
iteration 16: trace = 4.298080976434063 (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: 0.09319543838500977
+elapsed time for k point: 0.511831521987915
solve_kpoint (0,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -46885,7 +46884,7 @@
iteration 15: trace = 4.286087121421343 (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: 0.08619332313537598
+elapsed time for k point: 0.5221881866455078
solve_kpoint (0,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -46916,7 +46915,7 @@
iteration 13: trace = 4.283886820302826 (6.60968e-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: 0.07489943504333496
+elapsed time for k point: 0.46465611457824707
solve_kpoint (-0.0666667,0.466667,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -46945,7 +46944,7 @@
iteration 12: trace = 4.287889499871684 (9.82448e-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: 0.06940603256225586
+elapsed time for k point: 0.4601922035217285
solve_kpoint (-0.133333,0.433333,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -46978,7 +46977,7 @@
iteration 14: trace = 4.299904770939231 (1.5843e-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: 0.0808553695678711
+elapsed time for k point: 0.46570396423339844
solve_kpoint (-0.2,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -47011,7 +47010,7 @@
iteration 14: trace = 4.319879224622893 (9.38781e-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: 0.081024169921875
+elapsed time for k point: 0.1636335849761963
solve_kpoint (-0.266667,0.366667,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -47048,7 +47047,7 @@
iteration 16: trace = 4.347482286295499 (5.02571e-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: 0.09209465980529785
+elapsed time for k point: 0.16382575035095215
solve_kpoint (-0.333333,0.333333,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -47113,7 +47112,7 @@
iteration 28: trace = 4.381215657475528 (1.3096e-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: 0.1574242115020752
+elapsed time for k point: 0.5873672962188721
solve_kpoint (-0.266667,0.266667,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -47148,7 +47147,7 @@
iteration 15: trace = 4.322737319376866 (1.86153e-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: 0.08658194541931152
+elapsed time for k point: 1.0030310153961182
solve_kpoint (-0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -47179,7 +47178,7 @@
iteration 13: trace = 4.30085149140595 (6.07146e-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: 0.07468485832214355
+elapsed time for k point: 0.7649202346801758
solve_kpoint (-0.133333,0.133333,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -47210,7 +47209,7 @@
iteration 13: trace = 4.317112896788794 (5.00757e-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: 0.07564258575439453
+elapsed time for k point: 0.9318132400512695
solve_kpoint (-0.0666667,0.0666667,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -47247,7 +47246,7 @@
iteration 16: trace = 4.358297516212387 (8.2535e-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: 0.10771322250366211
+elapsed time for k point: 0.642815351486206
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 5 iterations.
@@ -47448,7 +47447,7 @@
iteration 93: trace = 4.3848703591062 (1.54347e-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: 0.40782785415649414
+elapsed time for k point: 2.5409326553344727
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.3351167660354988 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: 0.5751709345431458 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7255897672261726 at Vector3<0.0, 0.0, 0.0>
@@ -47461,7 +47460,7 @@
Gap from band 2 (0.42984811237816406) to band 3 (0.5751709345431458), 28.91941652452287%
Gap from band 5 (0.7793792212092526) to band 6 (0.7852786984418488), 0.7540916335133131%
Gap from band 7 (0.9122560439014189) to band 8 (1.0540350508135103), 14.420958045649535%
-total elapsed time for run: 1.9665985107421875
+total elapsed time for run: 12.250716924667358
done
Initializing eigensolver data
Computing 8 bands with 1e-12 tolerance
@@ -47505,7 +47504,7 @@
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: 0.002873659133911133
+elapsed time for initialization: 0.012577295303344727
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...
@@ -47707,7 +47706,7 @@
iteration 91: trace = 6.466405545431552 (3.70028e-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: 0.40051770210266113
+elapsed time for k point: 4.700831651687622
solve_kpoint (0,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -47812,7 +47811,7 @@
iteration 50: trace = 6.367909049127847 (9.15808e-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: 0.2799339294433594
+elapsed time for k point: 1.827751874923706
solve_kpoint (0,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 9 iterations.
@@ -47869,7 +47868,7 @@
iteration 26: trace = 6.307408527722556 (7.91663e-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: 0.14686822891235352
+elapsed time for k point: 0.5021865367889404
solve_kpoint (0,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -47926,7 +47925,7 @@
iteration 26: trace = 6.281971560075125 (8.25125e-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: 0.14773917198181152
+elapsed time for k point: 0.33349037170410156
solve_kpoint (0,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -47993,7 +47992,7 @@
iteration 31: trace = 6.282671766119807 (5.94459e-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: 0.18009710311889648
+elapsed time for k point: 0.5279324054718018
solve_kpoint (0,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -48076,7 +48075,7 @@
iteration 39: trace = 6.294405703268611 (7.72979e-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: 0.25153422355651855
+elapsed time for k point: 2.4678595066070557
solve_kpoint (-0.0666667,0.466667,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -48141,7 +48140,7 @@
iteration 30: trace = 6.296467689265774 (7.74559e-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: 0.19646143913269043
+elapsed time for k point: 2.1791579723358154
solve_kpoint (-0.133333,0.433333,0):
Solving for bands 1 to 8...
linmin: converged after 3 iterations.
@@ -48212,7 +48211,7 @@
iteration 33: trace = 6.301845550822877 (4.12952e-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: 0.2124006748199463
+elapsed time for k point: 1.151611566543579
solve_kpoint (-0.2,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -48285,7 +48284,7 @@
iteration 34: trace = 6.309184046353364 (7.8975e-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: 0.22054290771484375
+elapsed time for k point: 1.528348684310913
solve_kpoint (-0.266667,0.366667,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -48360,7 +48359,7 @@
iteration 35: trace = 6.318322876593963 (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: 0.6180503368377686
+elapsed time for k point: 1.2345359325408936
solve_kpoint (-0.333333,0.333333,0):
Solving for bands 1 to 8...
linmin: converged after 3 iterations.
@@ -48517,7 +48516,7 @@
iteration 72: trace = 6.329316110445689 (8.94308e-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: 0.3999006748199463
+elapsed time for k point: 5.192939043045044
solve_kpoint (-0.266667,0.266667,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -48728,7 +48727,7 @@
iteration 101: trace = 6.29859486165409 (6.32722e-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: 0.5968389511108398
+elapsed time for k point: 5.625737905502319
solve_kpoint (-0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -48783,7 +48782,7 @@
iteration 25: trace = 6.28260855311304 (8.70845e-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: 0.1631622314453125
+elapsed time for k point: 1.2600927352905273
solve_kpoint (-0.133333,0.133333,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -48836,7 +48835,7 @@
iteration 24: trace = 6.296830790289763 (6.42067e-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: 0.15746712684631348
+elapsed time for k point: 1.2359702587127686
solve_kpoint (-0.0666667,0.0666667,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -48893,7 +48892,7 @@
iteration 26: trace = 6.356049883130337 (5.77395e-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: 0.16996049880981445
+elapsed time for k point: 0.6852867603302002
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 4 iterations.
@@ -49042,7 +49041,7 @@
iteration 67: trace = 6.466405545350629 (9.26307e-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: 0.5965502262115479
+.elapsed time for k point: 2.0801494121551514
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.5535093489972591 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
Band 2 range: 0.5203183590840936 at Vector3<0.0, 0.5, 0.0> to 0.7278447515454928 at Vector3<0.0, 0.0, 0.0>
Band 3 range: 0.5763358596513117 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7880878930618376 at Vector3<0.0, 0.0, 0.0>
@@ -49054,11 +49053,11 @@
Gap from band 3 (0.7880878930618376) to band 4 (0.8161730293674928), 3.5013177610941177%
Gap from band 5 (0.9220849425898029) to band 6 (1.016865668391553), 9.776497169649813%
Gap from band 7 (1.1593702273707196) to band 8 (1.1636719050364384), 0.370348656678157%
-total elapsed time for run: 4.742814064025879
+total elapsed time for run: 32.56632208824158
done
-/tmp/meepFBAM2J/test_honey_rods-0: 6.71s
+/tmp/meepYM7cP9/test_honey_rods-0: 44.83s
-/tmp/meepFBAM2J/test_line_defect-0
+/tmp/meepYM7cP9/test_line_defect-0
========================
Initializing eigensolver data
Computing 12 bands with 1e-12 tolerance
@@ -49105,7 +49104,7 @@
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: 0.022919416427612305
+elapsed time for initialization: 0.07856535911560059
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...
@@ -49302,7 +49301,7 @@
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: 2.506809949874878
+elapsed time for k point: 25.684725761413574
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
@@ -49315,18 +49314,18 @@
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/meepFBAM2J/test_line_defect-0-e.k01.b01.z.tm.h5...
-Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k01.b02.z.tm.h5...
-Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k01.b03.z.tm.h5...
-Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k01.b04.z.tm.h5...
-Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k01.b05.z.tm.h5...
-Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k01.b06.z.tm.h5...
-Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k01.b07.z.tm.h5...
-Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k01.b08.z.tm.h5...
-Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k01.b09.z.tm.h5...
-Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k01.b10.z.tm.h5...
-Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k01.b11.z.tm.h5...
-Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k01.b12.z.tm.h5...
+Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k01.b01.z.tm.h5...
+Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k01.b02.z.tm.h5...
+Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k01.b03.z.tm.h5...
+Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k01.b04.z.tm.h5...
+Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k01.b05.z.tm.h5...
+Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k01.b06.z.tm.h5...
+Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k01.b07.z.tm.h5...
+Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k01.b08.z.tm.h5...
+Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k01.b09.z.tm.h5...
+Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k01.b10.z.tm.h5...
+Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k01.b11.z.tm.h5...
+Outputting fields to /tmp/meepYM7cP9/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.
@@ -49424,7 +49423,7 @@
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: 1.3730783462524414
+elapsed time for k point: 13.463261127471924
Fixing e-field (band 1) phase by -1 + 2.71662e-09i; max ampl. = 0.279221
Fixing e-field (band 2) phase by 0.0662269 + 0.997805i; max ampl. = 0.368961
Fixing e-field (band 3) phase by 1 + -3.08243e-07i; max ampl. = 0.357513
@@ -49437,18 +49436,18 @@
Fixing e-field (band 10) phase by 1 + 8.06373e-05i; max ampl. = 0.50134
Fixing e-field (band 11) phase by 2.03311e-05 + 1i; max ampl. = 0.518018
Fixing e-field (band 12) phase by -0.000314767 + -1i; max ampl. = 0.377816
-Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k02.b01.z.tm.h5...
-Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k02.b02.z.tm.h5...
-Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k02.b03.z.tm.h5...
-Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k02.b04.z.tm.h5...
-Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k02.b05.z.tm.h5...
-Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k02.b06.z.tm.h5...
-Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k02.b07.z.tm.h5...
-Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k02.b08.z.tm.h5...
-Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k02.b09.z.tm.h5...
-Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k02.b10.z.tm.h5...
-Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k02.b11.z.tm.h5...
-Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k02.b12.z.tm.h5...
+Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k02.b01.z.tm.h5...
+Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k02.b02.z.tm.h5...
+Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k02.b03.z.tm.h5...
+Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k02.b04.z.tm.h5...
+Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k02.b05.z.tm.h5...
+Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k02.b06.z.tm.h5...
+Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k02.b07.z.tm.h5...
+Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k02.b08.z.tm.h5...
+Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k02.b09.z.tm.h5...
+Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k02.b10.z.tm.h5...
+Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k02.b11.z.tm.h5...
+Outputting fields to /tmp/meepYM7cP9/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.
@@ -49538,7 +49537,7 @@
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: 3.053178310394287
+elapsed time for k point: 7.146764755249023
Fixing e-field (band 1) phase by 1 + -6.65617e-16i; max ampl. = 0.316626
Fixing e-field (band 2) phase by 6.78641e-12 + 1i; max ampl. = 0.383063
Fixing e-field (band 3) phase by 1 + -1.04398e-14i; max ampl. = 0.3761
@@ -49551,18 +49550,18 @@
Fixing e-field (band 10) phase by -1 + 3.8366e-10i; max ampl. = 0.454743
Fixing e-field (band 11) phase by 4.81344e-08 + 1i; max ampl. = 0.493615
Fixing e-field (band 12) phase by -1.96432e-06 + -1i; max ampl. = 0.473136
-Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k03.b01.z.tm.h5...
-Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k03.b02.z.tm.h5...
-Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k03.b03.z.tm.h5...
-Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k03.b04.z.tm.h5...
-Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k03.b05.z.tm.h5...
-Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k03.b06.z.tm.h5...
-Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k03.b07.z.tm.h5...
-Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k03.b08.z.tm.h5...
-Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k03.b09.z.tm.h5...
-Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k03.b10.z.tm.h5...
-Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k03.b11.z.tm.h5...
-Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k03.b12.z.tm.h5...
+Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k03.b01.z.tm.h5...
+Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k03.b02.z.tm.h5...
+Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k03.b03.z.tm.h5...
+Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k03.b04.z.tm.h5...
+Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k03.b05.z.tm.h5...
+Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k03.b06.z.tm.h5...
+Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k03.b07.z.tm.h5...
+Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k03.b08.z.tm.h5...
+Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k03.b09.z.tm.h5...
+Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k03.b10.z.tm.h5...
+Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k03.b11.z.tm.h5...
+Outputting fields to /tmp/meepYM7cP9/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.
@@ -49784,7 +49783,7 @@
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: 4.135879278182983
+elapsed time for k point: 13.520308494567871
Fixing e-field (band 1) phase by 1 + -2.72416e-17i; max ampl. = 0.362092
Fixing e-field (band 2) phase by -1.83705e-11 + -1i; max ampl. = 0.407764
Fixing e-field (band 3) phase by -1 + -3.46211e-16i; max ampl. = 0.420136
@@ -49797,18 +49796,18 @@
Fixing e-field (band 10) phase by 1 + -1.34814e-12i; max ampl. = 0.483552
Fixing e-field (band 11) phase by -5.47238e-11 + 1i; max ampl. = 0.523494
Fixing e-field (band 12) phase by -1 + -6.896e-11i; max ampl. = 0.423458
-Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k04.b01.z.tm.h5...
-Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k04.b02.z.tm.h5...
-Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k04.b03.z.tm.h5...
-Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k04.b04.z.tm.h5...
-Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k04.b05.z.tm.h5...
-Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k04.b06.z.tm.h5...
-Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k04.b07.z.tm.h5...
-Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k04.b08.z.tm.h5...
-Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k04.b09.z.tm.h5...
-Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k04.b10.z.tm.h5...
-Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k04.b11.z.tm.h5...
-Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k04.b12.z.tm.h5...
+Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k04.b01.z.tm.h5...
+Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k04.b02.z.tm.h5...
+Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k04.b03.z.tm.h5...
+Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k04.b04.z.tm.h5...
+Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k04.b05.z.tm.h5...
+Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k04.b06.z.tm.h5...
+Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k04.b07.z.tm.h5...
+Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k04.b08.z.tm.h5...
+Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k04.b09.z.tm.h5...
+Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k04.b10.z.tm.h5...
+Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k04.b11.z.tm.h5...
+Outputting fields to /tmp/meepYM7cP9/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 5 iterations.
@@ -49970,7 +49969,7 @@
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: 2.402693510055542
+elapsed time for k point: 16.66835308074951
Fixing e-field (band 1) phase by 1 + -9.69749e-17i; max ampl. = 0.407996
Fixing e-field (band 2) phase by -6.32811e-12 + 1i; max ampl. = 0.441101
Fixing e-field (band 3) phase by -1 + -4.58358e-16i; max ampl. = 0.464954
@@ -49983,18 +49982,18 @@
Fixing e-field (band 10) phase by 2.15222e-13 + 1i; max ampl. = 0.518507
Fixing e-field (band 11) phase by -1 + 1.55569e-12i; max ampl. = 0.471405
Fixing e-field (band 12) phase by -5.02433e-14 + -1i; max ampl. = 0.443866
-Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k05.b01.z.tm.h5...
-Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k05.b02.z.tm.h5...
-Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k05.b03.z.tm.h5...
-Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k05.b04.z.tm.h5...
-Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k05.b05.z.tm.h5...
-Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k05.b06.z.tm.h5...
-Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k05.b07.z.tm.h5...
-Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k05.b08.z.tm.h5...
-Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k05.b09.z.tm.h5...
-Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k05.b10.z.tm.h5...
-Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k05.b11.z.tm.h5...
-Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k05.b12.z.tm.h5...
+Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k05.b01.z.tm.h5...
+Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k05.b02.z.tm.h5...
+Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k05.b03.z.tm.h5...
+Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k05.b04.z.tm.h5...
+Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k05.b05.z.tm.h5...
+Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k05.b06.z.tm.h5...
+Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k05.b07.z.tm.h5...
+Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k05.b08.z.tm.h5...
+Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k05.b09.z.tm.h5...
+Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k05.b10.z.tm.h5...
+Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k05.b11.z.tm.h5...
+Outputting fields to /tmp/meepYM7cP9/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.
@@ -50050,7 +50049,7 @@
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: 0.6238670349121094
+elapsed time for k point: 3.939737319946289
Fixing e-field (band 1) phase by 1 + -1.74815e-16i; max ampl. = 0.422882
Fixing e-field (band 2) phase by 3.28432e-12 + -1i; max ampl. = 0.466091
Fixing e-field (band 3) phase by -1 + -4.06835e-16i; max ampl. = 0.462198
@@ -50063,18 +50062,18 @@
Fixing e-field (band 10) phase by -9.38422e-13 + 1i; max ampl. = 0.472551
Fixing e-field (band 11) phase by 1 + 4.53592e-16i; max ampl. = 0.507635
Fixing e-field (band 12) phase by 5.92032e-13 + 1i; max ampl. = 0.465525
-..Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k06.b01.z.tm.h5...
-Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k06.b02.z.tm.h5...
-Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k06.b03.z.tm.h5...
-Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k06.b04.z.tm.h5...
-Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k06.b05.z.tm.h5...
-Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k06.b06.z.tm.h5...
-Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k06.b07.z.tm.h5...
-Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k06.b08.z.tm.h5...
-Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k06.b09.z.tm.h5...
-Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k06.b10.z.tm.h5...
-Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k06.b11.z.tm.h5...
-Outputting fields to /tmp/meepFBAM2J/test_line_defect-0-e.k06.b12.z.tm.h5...
+..Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k06.b01.z.tm.h5...
+Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k06.b02.z.tm.h5...
+Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k06.b03.z.tm.h5...
+Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k06.b04.z.tm.h5...
+Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k06.b05.z.tm.h5...
+Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k06.b06.z.tm.h5...
+Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k06.b07.z.tm.h5...
+Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k06.b08.z.tm.h5...
+Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k06.b09.z.tm.h5...
+Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k06.b10.z.tm.h5...
+Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k06.b11.z.tm.h5...
+Outputting fields to /tmp/meepYM7cP9/test_line_defect-0-e.k06.b12.z.tm.h5...
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.25635010535444464 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0>
Band 2 range: 0.10088801014542104 at Vector3<0.0, 0.0, 0.0> to 0.25697767129278243 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0>
Band 3 range: 0.11054374616923925 at Vector3<0.0, 0.0, 0.0> to 0.25834187991797375 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0>
@@ -50089,15 +50088,15 @@
Band 12 range: 0.46569046397212355 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> to 0.5451229846661457 at Vector3<0.0, 0.0, 0.0>
Gap from band 6 (0.27082126366760045) to band 7 (0.3373371031125568), 21.874512652721958%
Gap from band 7 (0.44249766491694126) to band 8 (0.44826277655382385), 1.294424711399087%
-total elapsed time for run: 14.325102806091309
+total elapsed time for run: 81.51580381393433
done
-/tmp/meepFBAM2J/test_line_defect-0: 14.35s
+/tmp/meepYM7cP9/test_line_defect-0: 81.55s
-/tmp/meepFBAM2J/test_list_split-0
+/tmp/meepYM7cP9/test_list_split-0
========================
-/tmp/meepFBAM2J/test_list_split-0: 0.00s
+/tmp/meepYM7cP9/test_list_split-0: 0.00s
-/tmp/meepFBAM2J/test_load_and_save_eigenvectors-0
+/tmp/meepYM7cP9/test_load_and_save_eigenvectors-0
========================
Initializing eigensolver data
Computing 8 bands with 1e-12 tolerance
@@ -50140,7 +50139,7 @@
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: 0.0017392635345458984
+elapsed time for initialization: 0.0036067962646484375
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...
@@ -50251,7 +50250,7 @@
iteration 52: trace = 5.548117725324876 (4.74496e-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: 0.1431887149810791
+elapsed time for k point: 0.3132319450378418
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -50502,7 +50501,7 @@
iteration 121: trace = 5.540497242579415 (3.78965e-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: 0.4274742603302002
+elapsed time for k point: 1.709820032119751
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -50559,7 +50558,7 @@
iteration 26: trace = 5.499374946276072 (6.76061e-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: 0.09351849555969238
+elapsed time for k point: 0.5476655960083008
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -50612,7 +50611,7 @@
iteration 24: trace = 5.485459080087868 (6.14144e-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: 0.08693289756774902
+elapsed time for k point: 0.4531693458557129
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -50673,7 +50672,7 @@
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: 0.10065364837646484
+elapsed time for k point: 0.5881786346435547
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -50766,7 +50765,7 @@
iteration 44: trace = 5.538866868553965 (9.66452e-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: 0.15633082389831543
+elapsed time for k point: 0.4471316337585449
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -50837,7 +50836,7 @@
iteration 33: trace = 5.419797732958394 (9.1099e-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: 0.11779046058654785
+elapsed time for k point: 0.5565545558929443
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -50898,7 +50897,7 @@
iteration 28: trace = 5.240853948733916 (3.69619e-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: 0.10087394714355469
+elapsed time for k point: 0.452559232711792
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -50951,7 +50950,7 @@
iteration 24: trace = 5.09654427341062 (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: 0.08649444580078125
+elapsed time for k point: 0.25873851776123047
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -51003,7 +51002,7 @@
iteration 23: trace = 5.006436496341392 (6.08684e-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: 0.08308053016662598
+elapsed time for k point: 0.26467180252075195
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -51055,7 +51054,7 @@
iteration 23: trace = 4.975984265381787 (5.44582e-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: 0.08287858963012695
+elapsed time for k point: 0.2571866512298584
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -51096,7 +51095,7 @@
iteration 18: trace = 5.036378479895265 (5.47222e-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: 0.06595253944396973
+elapsed time for k point: 0.26087450981140137
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -51143,7 +51142,7 @@
iteration 21: trace = 5.206566305891685 (3.93717e-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: 0.07596063613891602
+elapsed time for k point: 0.2605445384979248
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -51206,7 +51205,7 @@
iteration 29: trace = 5.417088766409226 (6.14845e-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: 0.10474896430969238
+elapsed time for k point: 0.587780237197876
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -51279,7 +51278,7 @@
iteration 34: trace = 5.522267645664736 (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: 0.12509679794311523
+elapsed time for k point: 1.1300523281097412
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 5 iterations.
@@ -51474,7 +51473,7 @@
iteration 93: trace = 5.548117725324989 (3.6948e-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: 0.2534360885620117
+elapsed time for k point: 2.1834022998809814
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0>
Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0>
@@ -51486,7 +51485,7 @@
Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383%
Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081%
Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186%
-total elapsed time for run: 2.1076347827911377
+total elapsed time for run: 10.2861328125
done
Initializing eigensolver data
Computing 8 bands with 1e-12 tolerance
@@ -51528,7 +51527,7 @@
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: 0.001661062240600586
+elapsed time for initialization: 0.0040171146392822266
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...
@@ -51639,7 +51638,7 @@
iteration 52: trace = 5.548117725324876 (4.74496e-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: 0.14235424995422363
+elapsed time for k point: 0.3811626434326172
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -51890,7 +51889,7 @@
iteration 121: trace = 5.540497242579415 (3.78965e-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: 0.5603303909301758
+elapsed time for k point: 2.3714559078216553
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -51947,7 +51946,7 @@
iteration 26: trace = 5.499374946276072 (6.76061e-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: 0.09357333183288574
+elapsed time for k point: 0.5527517795562744
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -52000,7 +51999,7 @@
iteration 24: trace = 5.485459080087868 (6.14144e-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: 0.08678412437438965
+elapsed time for k point: 0.5256180763244629
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -52061,7 +52060,7 @@
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: 0.10442590713500977
+elapsed time for k point: 0.6432089805603027
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -52154,7 +52153,7 @@
iteration 44: trace = 5.538866868553965 (9.66452e-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: 0.15807199478149414
+elapsed time for k point: 1.1856358051300049
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -52225,7 +52224,7 @@
iteration 33: trace = 5.419797732958394 (9.1099e-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: 0.11847925186157227
+elapsed time for k point: 0.8976955413818359
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -52286,7 +52285,7 @@
iteration 28: trace = 5.240853948733916 (3.69619e-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: 0.10109901428222656
+elapsed time for k point: 0.5878384113311768
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -52339,7 +52338,7 @@
iteration 24: trace = 5.09654427341062 (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: 0.08765578269958496
+elapsed time for k point: 0.2434237003326416
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -52391,7 +52390,7 @@
iteration 23: trace = 5.006436496341392 (6.08684e-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: 0.08394098281860352
+elapsed time for k point: 0.20825910568237305
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -52443,7 +52442,7 @@
iteration 23: trace = 4.975984265381787 (5.44582e-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: 0.08264899253845215
+elapsed time for k point: 0.5133035182952881
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -52484,7 +52483,7 @@
iteration 18: trace = 5.036378479895265 (5.47222e-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: 0.06575560569763184
+elapsed time for k point: 0.278120756149292
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -52531,7 +52530,7 @@
iteration 21: trace = 5.206566305891685 (3.93717e-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: 0.07682013511657715
+elapsed time for k point: 0.2951321601867676
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -52594,7 +52593,7 @@
iteration 29: trace = 5.417088766409226 (6.14845e-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: 0.10463523864746094
+elapsed time for k point: 0.2977938652038574
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -52667,7 +52666,7 @@
iteration 34: trace = 5.522267645664736 (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: 0.12155342102050781
+elapsed time for k point: 0.6010258197784424
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 5 iterations.
@@ -52862,7 +52861,7 @@
iteration 93: trace = 5.548117725324989 (3.6948e-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: 0.25234460830688477
+.elapsed time for k point: 1.0137693881988525
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0>
Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0>
@@ -52874,11 +52873,11 @@
Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383%
Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081%
Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186%
-total elapsed time for run: 2.24359393119812
+total elapsed time for run: 10.60319185256958
done
-/tmp/meepFBAM2J/test_load_and_save_eigenvectors-0: 4.36s
+/tmp/meepYM7cP9/test_load_and_save_eigenvectors-0: 20.90s
-/tmp/meepFBAM2J/test_maximize_first_tm_gap-0
+/tmp/meepYM7cP9/test_maximize_first_tm_gap-0
========================
Initializing eigensolver data
Computing 2 bands with 1e-12 tolerance
@@ -52921,7 +52920,7 @@
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: 0.0011801719665527344
+elapsed time for initialization: 0.0025022029876708984
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...
@@ -52960,7 +52959,7 @@
iteration 16: trace = 0.2090835261705099 (4.52806e-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: 0.0044171810150146484
+elapsed time for k point: 0.012142181396484375
solve_kpoint (0.1,0,0):
Solving for bands 1 to 2...
linmin: converged after 10 iterations.
@@ -53027,7 +53026,7 @@
iteration 30: trace = 0.2014046501599139 (1.93347e-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: 0.01500558853149414
+elapsed time for k point: 0.048548221588134766
solve_kpoint (0.2,0,0):
Solving for bands 1 to 2...
linmin: converged after 7 iterations.
@@ -53050,7 +53049,7 @@
iteration 9: trace = 0.1879007300173177 (4.35018e-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: 0.004712581634521484
+elapsed time for k point: 0.01384735107421875
solve_kpoint (0.3,0,0):
Solving for bands 1 to 2...
linmin: converged after 5 iterations.
@@ -53073,7 +53072,7 @@
iteration 9: trace = 0.1768571842568802 (4.04899e-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: 0.0046842098236083984
+elapsed time for k point: 0.013340950012207031
solve_kpoint (0.4,0,0):
Solving for bands 1 to 2...
linmin: converged after 5 iterations.
@@ -53094,7 +53093,7 @@
iteration 8: trace = 0.170163043677122 (4.09247e-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: 0.004216670989990234
+elapsed time for k point: 0.011629104614257812
solve_kpoint (0.5,0,0):
Solving for bands 1 to 2...
linmin: converged after 7 iterations.
@@ -53115,7 +53114,7 @@
iteration 8: trace = 0.1679542017748686 (3.77942e-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: 0.00422215461730957
+elapsed time for k point: 0.011714696884155273
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 2...
linmin: converged after 3 iterations.
@@ -53136,7 +53135,7 @@
iteration 8: trace = 0.1727422479677606 (9.46383e-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: 0.004204988479614258
+elapsed time for k point: 0.011918067932128906
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 2...
linmin: converged after 4 iterations.
@@ -53157,7 +53156,7 @@
iteration 8: trace = 0.1859937688378513 (2.16829e-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: 0.004259824752807617
+elapsed time for k point: 0.014951467514038086
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 2...
linmin: converged after 4 iterations.
@@ -53178,7 +53177,7 @@
iteration 8: trace = 0.2041420413289724 (7.57581e-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: 0.00420689582824707
+elapsed time for k point: 0.03287863731384277
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 2...
linmin: converged after 6 iterations.
@@ -53201,7 +53200,7 @@
iteration 9: trace = 0.2207583578967242 (6.00981e-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: 0.0046923160552978516
+elapsed time for k point: 0.05050039291381836
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 2...
linmin: converged after 7 iterations.
@@ -53224,7 +53223,7 @@
iteration 9: trace = 0.2277122843842428 (1.05799e-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: 0.0046863555908203125
+elapsed time for k point: 0.050460100173950195
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 2...
linmin: converged after 5 iterations.
@@ -53266,7 +53265,7 @@
iteration 17: trace = 0.2194624955004418 (3.56774e-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: 0.008544445037841797
+elapsed time for k point: 0.0708458423614502
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 2...
linmin: converged after 5 iterations.
@@ -53289,7 +53288,7 @@
iteration 9: trace = 0.2042021396245495 (5.38251e-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: 0.0046844482421875
+elapsed time for k point: 0.03741931915283203
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 2...
linmin: converged after 7 iterations.
@@ -53312,7 +53311,7 @@
iteration 9: trace = 0.1959313854307186 (4.13646e-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: 0.004707813262939453
+elapsed time for k point: 0.025887012481689453
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 2...
linmin: converged after 8 iterations.
@@ -53337,7 +53336,7 @@
iteration 10: trace = 0.2007748484301815 (1.08658e-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: 0.005228281021118164
+elapsed time for k point: 0.027520418167114258
solve_kpoint (0,0,0):
Solving for bands 2 to 2...
linmin: converged after 6 iterations.
@@ -53366,11 +53365,11 @@
iteration 12: trace = 0.2090835122571492 (3.45412e-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: 0.003257274627685547
+elapsed time for k point: 0.03737282752990723
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.24902949992221993 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.3512008353051182 at Vector3<0.5, 0.0, 0.0> to 0.4572565211897041 at Vector3<0.0, 0.0, 0.0>
Gap from band 1 (0.24902949992221993) to band 2 (0.3512008353051182), 34.0440425571629%
-total elapsed time for run: 0.08724331855773926
+total elapsed time for run: 0.4841771125793457
done
Initializing eigensolver data
Computing 2 bands with 1e-12 tolerance
@@ -53412,7 +53411,7 @@
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: 0.0016117095947265625
+elapsed time for initialization: 0.016106605529785156
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...
@@ -53453,7 +53452,7 @@
iteration 17: trace = 0.1326529296620272 (9.96166e-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: 0.004621028900146484
+elapsed time for k point: 0.04166126251220703
solve_kpoint (0.1,0,0):
Solving for bands 1 to 2...
linmin: converged after 9 iterations.
@@ -53513,7 +53512,7 @@
iteration 27: trace = 0.1274079622121579 (4.272e-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: 0.013500213623046875
+elapsed time for k point: 0.15378808975219727
solve_kpoint (0.2,0,0):
Solving for bands 1 to 2...
linmin: converged after 7 iterations.
@@ -53536,7 +53535,7 @@
iteration 9: trace = 0.1169623869301468 (5.35594e-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: 0.004720926284790039
+elapsed time for k point: 0.0420382022857666
solve_kpoint (0.3,0,0):
Solving for bands 1 to 2...
linmin: converged after 7 iterations.
@@ -53559,7 +53558,7 @@
iteration 9: trace = 0.1074794489925547 (2.82774e-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: 0.00469660758972168
+elapsed time for k point: 0.0620112419128418
solve_kpoint (0.4,0,0):
Solving for bands 1 to 2...
linmin: converged after 5 iterations.
@@ -53580,7 +53579,7 @@
iteration 8: trace = 0.1013401281478576 (3.11955e-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: 0.0042188167572021484
+elapsed time for k point: 0.04950690269470215
solve_kpoint (0.5,0,0):
Solving for bands 1 to 2...
linmin: converged after 5 iterations.
@@ -53601,7 +53600,7 @@
iteration 8: trace = 0.09924540234965111 (1.03896e-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: 0.004221439361572266
+elapsed time for k point: 0.026505470275878906
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 2...
linmin: converged after 4 iterations.
@@ -53622,7 +53621,7 @@
iteration 8: trace = 0.1023441112106413 (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: 0.004224061965942383
+elapsed time for k point: 0.016771793365478516
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 2...
linmin: converged after 4 iterations.
@@ -53643,7 +53642,7 @@
iteration 8: trace = 0.111100487504477 (9.10609e-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: 0.004224061965942383
+elapsed time for k point: 0.03374981880187988
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 2...
linmin: converged after 4 iterations.
@@ -53664,7 +53663,7 @@
iteration 8: trace = 0.1236552584709827 (3.22997e-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: 0.004210233688354492
+elapsed time for k point: 0.024077892303466797
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 2...
linmin: converged after 5 iterations.
@@ -53687,7 +53686,7 @@
iteration 9: trace = 0.1360211172747792 (1.04475e-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: 0.004675626754760742
+elapsed time for k point: 0.03244137763977051
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 2...
linmin: converged after 5 iterations.
@@ -53710,7 +53709,7 @@
iteration 9: trace = 0.1415827248187514 (3.31304e-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: 0.00469970703125
+elapsed time for k point: 0.0296022891998291
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 2...
linmin: converged after 5 iterations.
@@ -53760,7 +53759,7 @@
iteration 21: trace = 0.1366069801386999 (1.81235e-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: 0.010456085205078125
+elapsed time for k point: 0.05259394645690918
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 2...
linmin: converged after 7 iterations.
@@ -53783,7 +53782,7 @@
iteration 9: trace = 0.1283044775563506 (4.1686e-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: 0.004680633544921875
+elapsed time for k point: 0.013848066329956055
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 2...
linmin: converged after 7 iterations.
@@ -53806,7 +53805,7 @@
iteration 9: trace = 0.125065286647159 (9.21004e-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: 0.004705190658569336
+elapsed time for k point: 0.029611587524414062
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 2...
linmin: converged after 7 iterations.
@@ -53829,7 +53828,7 @@
iteration 9: trace = 0.1287431504622698 (9.99038e-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: 0.004687786102294922
+elapsed time for k point: 0.030019283294677734
solve_kpoint (0,0,0):
Solving for bands 2 to 2...
linmin: converged after 4 iterations.
@@ -53860,11 +53859,11 @@
iteration 13: trace = 0.1326529452608121 (4.34162e-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: 0.003498554229736328
+elapsed time for k point: 0.022274494171142578
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.21862256910517538 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.25999614437474894 at Vector3<0.5, 0.0, 0.0> to 0.3642155203458691 at Vector3<0.0, 0.0, 0.0>
Gap from band 1 (0.21862256910517538) to band 2 (0.25999614437474894), 17.288741164655264%
-total elapsed time for run: 0.08797478675842285
+total elapsed time for run: 0.6788549423217773
done
Initializing eigensolver data
Computing 2 bands with 1e-12 tolerance
@@ -53906,7 +53905,7 @@
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: 0.0011525154113769531
+elapsed time for initialization: 0.002791166305541992
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...
@@ -53953,7 +53952,7 @@
iteration 20: trace = 0.2982519551490028 (5.19652e-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: 0.0053730010986328125
+elapsed time for k point: 0.03486180305480957
solve_kpoint (0.1,0,0):
Solving for bands 1 to 2...
linmin: converged after 5 iterations.
@@ -53990,7 +53989,7 @@
iteration 16: trace = 0.2795911378478675 (6.11119e-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: 0.008203744888305664
+elapsed time for k point: 0.053064584732055664
solve_kpoint (0.2,0,0):
Solving for bands 1 to 2...
linmin: converged after 5 iterations.
@@ -54015,7 +54014,7 @@
iteration 10: trace = 0.2611842409470009 (6.08279e-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: 0.0052187442779541016
+elapsed time for k point: 0.014113187789916992
solve_kpoint (0.3,0,0):
Solving for bands 1 to 2...
linmin: converged after 6 iterations.
@@ -54038,7 +54037,7 @@
iteration 9: trace = 0.2490993774400128 (1.40394e-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: 0.004719257354736328
+elapsed time for k point: 0.02695941925048828
solve_kpoint (0.4,0,0):
Solving for bands 1 to 2...
linmin: converged after 4 iterations.
@@ -54059,7 +54058,7 @@
iteration 8: trace = 0.242445714489984 (6.61933e-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: 0.00422358512878418
+elapsed time for k point: 0.2712864875793457
solve_kpoint (0.5,0,0):
Solving for bands 1 to 2...
linmin: converged after 8 iterations.
@@ -54080,7 +54079,7 @@
iteration 8: trace = 0.2403442724329473 (2.85473e-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: 0.004201650619506836
+elapsed time for k point: 0.03664422035217285
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 2...
linmin: converged after 4 iterations.
@@ -54101,7 +54100,7 @@
iteration 8: trace = 0.2478135698278215 (2.66564e-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: 0.00421142578125
+elapsed time for k point: 0.024561643600463867
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 2...
linmin: converged after 4 iterations.
@@ -54122,7 +54121,7 @@
iteration 8: trace = 0.2687921840070472 (1.5138e-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: 0.004207134246826172
+elapsed time for k point: 0.026540279388427734
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 2...
linmin: converged after 4 iterations.
@@ -54143,7 +54142,7 @@
iteration 8: trace = 0.2984106619036122 (7.5581e-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: 0.004223823547363281
+elapsed time for k point: 0.026142120361328125
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 2...
linmin: converged after 8 iterations.
@@ -54166,7 +54165,7 @@
iteration 9: trace = 0.3267691033102512 (4.28095e-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: 0.004692792892456055
+elapsed time for k point: 0.03142857551574707
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 2...
linmin: converged after 6 iterations.
@@ -54189,7 +54188,7 @@
iteration 9: trace = 0.3391341088633693 (2.86121e-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: 0.004669904708862305
+elapsed time for k point: 0.022092342376708984
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 2...
linmin: converged after 5 iterations.
@@ -54228,7 +54227,7 @@
iteration 17: trace = 0.3215197827688707 (6.91127e-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: 0.008712530136108398
+elapsed time for k point: 0.07659029960632324
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 2...
linmin: converged after 6 iterations.
@@ -54251,7 +54250,7 @@
iteration 9: trace = 0.2901214013723645 (2.05688e-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: 0.0047414302825927734
+elapsed time for k point: 0.04016900062561035
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 2...
linmin: converged after 5 iterations.
@@ -54276,7 +54275,7 @@
iteration 10: trace = 0.270860725885171 (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: 0.005197048187255859
+elapsed time for k point: 0.03732562065124512
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 2...
linmin: converged after 9 iterations.
@@ -54303,7 +54302,7 @@
iteration 11: trace = 0.2750943676881151 (3.41024e-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: 0.00570225715637207
+elapsed time for k point: 0.18997645378112793
solve_kpoint (0,0,0):
Solving for bands 2 to 2...
linmin: converged after 8 iterations.
@@ -54340,11 +54339,11 @@
iteration 16: trace = 0.2982519551492238 (9.21674e-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: 0.004728555679321289
+elapsed time for k point: 0.040802001953125
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.28540381057856934 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.42411505161943935 at Vector3<0.5, 0.0, 0.0> to 0.5461244868610301 at Vector3<0.0, 0.0, 0.0>
Gap from band 1 (0.28540381057856934) to band 2 (0.42411505161943935), 39.10008554562127%
-total elapsed time for run: 0.0845649242401123
+total elapsed time for run: 0.9575550556182861
done
Initializing eigensolver data
Computing 2 bands with 1e-12 tolerance
@@ -54386,7 +54385,7 @@
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: 0.0013015270233154297
+elapsed time for initialization: 0.014998435974121094
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...
@@ -54421,7 +54420,7 @@
iteration 14: trace = 0.3025956959406486 (2.01428e-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: 0.003894805908203125
+elapsed time for k point: 0.03894972801208496
solve_kpoint (0.1,0,0):
Solving for bands 1 to 2...
linmin: converged after 5 iterations.
@@ -54446,7 +54445,7 @@
iteration 10: trace = 0.3009297177018313 (7.17386e-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: 0.00522160530090332
+elapsed time for k point: 0.02704024314880371
solve_kpoint (0.2,0,0):
Solving for bands 1 to 2...
linmin: converged after 8 iterations.
@@ -54471,7 +54470,7 @@
iteration 10: trace = 0.2969598361818406 (3.31617e-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: 0.0053217411041259766
+elapsed time for k point: 0.03584599494934082
solve_kpoint (0.3,0,0):
Solving for bands 1 to 2...
linmin: converged after 10 iterations.
@@ -54496,7 +54495,7 @@
iteration 10: trace = 0.2926449175807005 (3.60407e-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: 0.005176544189453125
+elapsed time for k point: 0.03611326217651367
solve_kpoint (0.4,0,0):
Solving for bands 1 to 2...
linmin: converged after 5 iterations.
@@ -54519,7 +54518,7 @@
iteration 9: trace = 0.2895143959121311 (5.52208e-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: 0.004767656326293945
+elapsed time for k point: 0.03697490692138672
solve_kpoint (0.5,0,0):
Solving for bands 1 to 2...
linmin: converged after 5 iterations.
@@ -54540,7 +54539,7 @@
iteration 8: trace = 0.2883886767737717 (2.7006e-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: 0.0042171478271484375
+elapsed time for k point: 0.029218196868896484
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 2...
linmin: converged after 4 iterations.
@@ -54561,7 +54560,7 @@
iteration 8: trace = 0.2982086196943479 (6.96196e-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: 0.004306316375732422
+elapsed time for k point: 0.023731470108032227
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 2...
linmin: converged after 5 iterations.
@@ -54582,7 +54581,7 @@
iteration 8: trace = 0.3264979228223411 (2.76112e-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: 0.004260063171386719
+elapsed time for k point: 0.02691030502319336
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 2...
linmin: converged after 4 iterations.
@@ -54603,7 +54602,7 @@
iteration 8: trace = 0.369066417318031 (8.31916e-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: 0.004209756851196289
+elapsed time for k point: 0.02826523780822754
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 2...
linmin: converged after 4 iterations.
@@ -54628,7 +54627,7 @@
iteration 10: trace = 0.4155447999210056 (5.90452e-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: 0.005219221115112305
+elapsed time for k point: 0.04725456237792969
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 2...
linmin: converged after 5 iterations.
@@ -54653,7 +54652,7 @@
iteration 10: trace = 0.4398182199057517 (3.20583e-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: 0.005234718322753906
+elapsed time for k point: 0.03578782081604004
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 2...
linmin: converged after 5 iterations.
@@ -54692,7 +54691,7 @@
iteration 17: trace = 0.402475438444692 (8.9237e-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: 0.008538484573364258
+elapsed time for k point: 0.05502676963806152
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 2...
linmin: converged after 5 iterations.
@@ -54715,7 +54714,7 @@
iteration 9: trace = 0.3476919187043944 (6.05256e-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: 0.004747152328491211
+elapsed time for k point: 0.028714418411254883
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 2...
linmin: converged after 6 iterations.
@@ -54740,7 +54739,7 @@
iteration 10: trace = 0.312470185923318 (6.91069e-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: 0.005293130874633789
+elapsed time for k point: 0.030504941940307617
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 2...
linmin: converged after 6 iterations.
@@ -54765,7 +54764,7 @@
iteration 10: trace = 0.3014386377955973 (5.1913e-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: 0.00519108772277832
+elapsed time for k point: 0.03119969367980957
solve_kpoint (0,0,0):
Solving for bands 2 to 2...
linmin: converged after 5 iterations.
@@ -54794,15 +54793,15 @@
iteration 12: trace = 0.3025956959406542 (2.04547e-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: 0.0032892227172851562
+.elapsed time for k point: 0.025794267654418945
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.31744412297232133 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.46151218989969184 at Vector3<0.5, 0.0, 0.0> to 0.5822778105819287 at Vector3<0.5, 0.5, 0.0>
Gap from band 1 (0.31744412297232133) to band 2 (0.46151218989969184), 36.990024869608234%
-total elapsed time for run: 0.08057260513305664
+total elapsed time for run: 0.5627071857452393
done
-/tmp/meepFBAM2J/test_maximize_first_tm_gap-0: 0.34s
+/tmp/meepYM7cP9/test_maximize_first_tm_gap-0: 2.69s
-/tmp/meepFBAM2J/test_multiply_bloch_in_mpb_data-0
+/tmp/meepYM7cP9/test_multiply_bloch_in_mpb_data-0
========================
Initializing eigensolver data
Computing 8 bands with 1e-12 tolerance
@@ -54845,7 +54844,7 @@
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: 0.0018990039825439453
+elapsed time for initialization: 0.012279510498046875
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...
@@ -54956,7 +54955,7 @@
iteration 52: trace = 5.548117725324876 (4.74496e-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: 0.14353632926940918
+elapsed time for k point: 1.0966172218322754
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -55207,7 +55206,7 @@
iteration 121: trace = 5.540497242579415 (3.78965e-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: 0.43159008026123047
+elapsed time for k point: 3.20477294921875
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -55264,7 +55263,7 @@
iteration 26: trace = 5.499374946276072 (6.76061e-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: 0.0934903621673584
+elapsed time for k point: 0.5548534393310547
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -55317,7 +55316,7 @@
iteration 24: trace = 5.485459080087868 (6.14144e-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: 0.08666849136352539
+elapsed time for k point: 0.5964689254760742
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -55378,7 +55377,7 @@
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: 0.10028839111328125
+elapsed time for k point: 0.685659646987915
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -55471,7 +55470,7 @@
iteration 44: trace = 5.538866868553965 (9.66452e-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: 0.15621018409729004
+elapsed time for k point: 1.278618574142456
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -55542,7 +55541,7 @@
iteration 33: trace = 5.419797732958394 (9.1099e-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: 0.11781120300292969
+elapsed time for k point: 0.6974184513092041
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -55603,7 +55602,7 @@
iteration 28: trace = 5.240853948733916 (3.69619e-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: 0.1021883487701416
+elapsed time for k point: 0.31583166122436523
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -55656,7 +55655,7 @@
iteration 24: trace = 5.09654427341062 (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: 0.08630847930908203
+elapsed time for k point: 0.6888492107391357
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -55708,7 +55707,7 @@
iteration 23: trace = 5.006436496341392 (6.08684e-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: 0.08316922187805176
+elapsed time for k point: 0.502133846282959
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -55760,7 +55759,7 @@
iteration 23: trace = 4.975984265381787 (5.44582e-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: 0.08286857604980469
+elapsed time for k point: 0.4530048370361328
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -55801,7 +55800,7 @@
iteration 18: trace = 5.036378479895265 (5.47222e-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: 0.06572246551513672
+elapsed time for k point: 0.4161543846130371
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -55848,7 +55847,7 @@
iteration 21: trace = 5.206566305891685 (3.93717e-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: 0.076385498046875
+elapsed time for k point: 0.45948362350463867
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -55911,7 +55910,7 @@
iteration 29: trace = 5.417088766409226 (6.14845e-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: 0.1043403148651123
+elapsed time for k point: 0.9450802803039551
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -55984,7 +55983,7 @@
iteration 34: trace = 5.522267645664736 (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: 0.15343642234802246
+elapsed time for k point: 0.9698023796081543
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 5 iterations.
@@ -56179,7 +56178,7 @@
iteration 93: trace = 5.548117725324989 (3.6948e-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: 0.32598137855529785
+elapsed time for k point: 1.7729077339172363
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0>
Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0>
@@ -56191,7 +56190,7 @@
Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383%
Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081%
Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186%
-total elapsed time for run: 2.2135531902313232
+total elapsed time for run: 14.658104419708252
done
Fixing e-field (band 8) phase by 2.61271e-07 + 1i; max ampl. = 1.10099
real part range: -1.10098 .. 1.10098
@@ -56240,7 +56239,7 @@
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: 0.0028533935546875
+elapsed time for initialization: 0.01615285873413086
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...
@@ -56351,7 +56350,7 @@
iteration 52: trace = 5.548117725324876 (4.74496e-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: 0.23821687698364258
+elapsed time for k point: 0.8118247985839844
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -56602,7 +56601,7 @@
iteration 121: trace = 5.540497242579415 (3.78965e-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: 1.1568918228149414
+elapsed time for k point: 1.966348648071289
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -56659,7 +56658,7 @@
iteration 26: trace = 5.499374946276072 (6.76061e-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: 0.14595699310302734
+elapsed time for k point: 0.30570411682128906
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -56712,7 +56711,7 @@
iteration 24: trace = 5.485459080087868 (6.14144e-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: 0.13494038581848145
+elapsed time for k point: 0.5976011753082275
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -56773,7 +56772,7 @@
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: 0.1563704013824463
+elapsed time for k point: 0.5948629379272461
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -56866,7 +56865,7 @@
iteration 44: trace = 5.538866868553965 (9.66452e-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: 0.24286317825317383
+elapsed time for k point: 0.9170472621917725
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -56937,7 +56936,7 @@
iteration 33: trace = 5.419797732958394 (9.1099e-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: 0.1819934844970703
+elapsed time for k point: 0.6851232051849365
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -56998,7 +56997,7 @@
iteration 28: trace = 5.240853948733916 (3.69619e-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: 0.15612506866455078
+elapsed time for k point: 0.5932767391204834
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -57051,7 +57050,7 @@
iteration 24: trace = 5.09654427341062 (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: 0.13461732864379883
+elapsed time for k point: 0.5150132179260254
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -57103,7 +57102,7 @@
iteration 23: trace = 5.006436496341392 (6.08684e-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: 0.129439115524292
+elapsed time for k point: 0.48099851608276367
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -57155,7 +57154,7 @@
iteration 23: trace = 4.975984265381787 (5.44582e-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: 0.12879562377929688
+elapsed time for k point: 0.48670220375061035
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -57196,7 +57195,7 @@
iteration 18: trace = 5.036378479895265 (5.47222e-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: 0.10222578048706055
+elapsed time for k point: 0.3846302032470703
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -57243,7 +57242,7 @@
iteration 21: trace = 5.206566305891685 (3.93717e-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: 0.11787557601928711
+elapsed time for k point: 0.4545772075653076
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -57306,7 +57305,7 @@
iteration 29: trace = 5.417088766409226 (6.14845e-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: 0.16144108772277832
+elapsed time for k point: 0.4780616760253906
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -57379,7 +57378,7 @@
iteration 34: trace = 5.522267645664736 (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: 0.1890718936920166
+elapsed time for k point: 0.39287662506103516
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 5 iterations.
@@ -57574,7 +57573,7 @@
iteration 93: trace = 5.548117725324989 (3.6948e-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: 0.4155237674713135
+elapsed time for k point: 0.7286450862884521
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0>
Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0>
@@ -57586,7 +57585,7 @@
Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383%
Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081%
Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186%
-total elapsed time for run: 3.7973673343658447
+total elapsed time for run: 10.412841081619263
done
Fixing e-field (band 8) phase by 2.61271e-07 + 1i; max ampl. = 1.10099
real part range: -1.10098 .. 1.10098
@@ -57595,9 +57594,9 @@
imag part range: -0.00766496 .. 0.00870069
real part range: 0 .. 0
imag part range: 0 .. 0
-./tmp/meepFBAM2J/test_multiply_bloch_in_mpb_data-0: 6.10s
+./tmp/meepYM7cP9/test_multiply_bloch_in_mpb_data-0: 25.30s
-/tmp/meepFBAM2J/test_multiply_bloch_phase-0
+/tmp/meepYM7cP9/test_multiply_bloch_phase-0
========================
Initializing eigensolver data
Computing 8 bands with 1e-12 tolerance
@@ -57640,7 +57639,7 @@
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: 0.002808809280395508
+elapsed time for initialization: 0.004044294357299805
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...
@@ -57751,7 +57750,7 @@
iteration 52: trace = 5.548117725324876 (4.74496e-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: 0.22725343704223633
+elapsed time for k point: 0.5244829654693604
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -58002,7 +58001,7 @@
iteration 121: trace = 5.540497242579415 (3.78965e-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: 0.6611506938934326
+elapsed time for k point: 1.1797301769256592
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -58059,7 +58058,7 @@
iteration 26: trace = 5.499374946276072 (6.76061e-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: 0.1469879150390625
+elapsed time for k point: 0.31609678268432617
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -58112,7 +58111,7 @@
iteration 24: trace = 5.485459080087868 (6.14144e-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: 0.13452720642089844
+elapsed time for k point: 0.2857513427734375
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -58173,7 +58172,7 @@
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: 0.1633443832397461
+elapsed time for k point: 0.2915003299713135
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -58266,7 +58265,7 @@
iteration 44: trace = 5.538866868553965 (9.66452e-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: 0.24141812324523926
+elapsed time for k point: 0.4781324863433838
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -58337,7 +58336,7 @@
iteration 33: trace = 5.419797732958394 (9.1099e-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: 0.1818850040435791
+elapsed time for k point: 0.32706522941589355
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -58398,7 +58397,7 @@
iteration 28: trace = 5.240853948733916 (3.69619e-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: 0.15433907508850098
+elapsed time for k point: 0.30129384994506836
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -58451,7 +58450,7 @@
iteration 24: trace = 5.09654427341062 (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: 0.1347975730895996
+elapsed time for k point: 0.28582310676574707
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -58503,7 +58502,7 @@
iteration 23: trace = 5.006436496341392 (6.08684e-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: 0.12730789184570312
+elapsed time for k point: 0.287245512008667
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -58555,7 +58554,7 @@
iteration 23: trace = 4.975984265381787 (5.44582e-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: 0.12649774551391602
+elapsed time for k point: 0.25287771224975586
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -58596,7 +58595,7 @@
iteration 18: trace = 5.036378479895265 (5.47222e-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: 0.10250568389892578
+elapsed time for k point: 0.22250723838806152
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -58643,7 +58642,7 @@
iteration 21: trace = 5.206566305891685 (3.93717e-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: 0.11733174324035645
+elapsed time for k point: 0.4407198429107666
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -58706,7 +58705,7 @@
iteration 29: trace = 5.417088766409226 (6.14845e-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: 0.1612529754638672
+elapsed time for k point: 0.56211256980896
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -58779,7 +58778,7 @@
iteration 34: trace = 5.522267645664736 (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: 0.18634462356567383
+elapsed time for k point: 0.6151697635650635
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 5 iterations.
@@ -58974,7 +58973,7 @@
iteration 93: trace = 5.548117725324989 (3.6948e-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: 0.40378332138061523
+elapsed time for k point: 1.4407682418823242
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0>
Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0>
@@ -58986,12 +58985,12 @@
Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383%
Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081%
Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186%
-total elapsed time for run: 3.2756388187408447
+total elapsed time for run: 7.818036317825317
done
Fixing e-field (band 8) phase by 2.61271e-07 + 1i; max ampl. = 1.10099
-./tmp/meepFBAM2J/test_multiply_bloch_phase-0: 3.28s
+./tmp/meepYM7cP9/test_multiply_bloch_phase-0: 7.83s
-/tmp/meepFBAM2J/test_output_charge_density-0
+/tmp/meepYM7cP9/test_output_charge_density-0
========================
Initializing eigensolver data
Computing 8 bands with 1e-12 tolerance
@@ -59034,7 +59033,7 @@
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: 0.0021944046020507812
+elapsed time for initialization: 0.008229494094848633
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...
@@ -59145,7 +59144,7 @@
iteration 52: trace = 5.548117725324876 (4.74496e-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: 0.23314404487609863
+elapsed time for k point: 0.5959222316741943
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -59396,7 +59395,7 @@
iteration 121: trace = 5.540497242579415 (3.78965e-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: 0.9145488739013672
+elapsed time for k point: 3.30495548248291
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -59453,7 +59452,7 @@
iteration 26: trace = 5.499374946276072 (6.76061e-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: 0.0963296890258789
+elapsed time for k point: 0.5316827297210693
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -59506,7 +59505,7 @@
iteration 24: trace = 5.485459080087868 (6.14144e-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: 0.1791234016418457
+elapsed time for k point: 0.4926755428314209
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -59567,7 +59566,7 @@
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: 0.18854713439941406
+elapsed time for k point: 0.5795073509216309
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -59660,7 +59659,7 @@
iteration 44: trace = 5.538866868553965 (9.66452e-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: 0.7187001705169678
+elapsed time for k point: 0.8737876415252686
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -59731,7 +59730,7 @@
iteration 33: trace = 5.419797732958394 (9.1099e-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: 0.35565805435180664
+elapsed time for k point: 0.3774547576904297
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -59792,7 +59791,7 @@
iteration 28: trace = 5.240853948733916 (3.69619e-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: 0.804509162902832
+elapsed time for k point: 0.41311192512512207
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -59845,7 +59844,7 @@
iteration 24: trace = 5.09654427341062 (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: 0.5260026454925537
+elapsed time for k point: 0.5044589042663574
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -59897,7 +59896,7 @@
iteration 23: trace = 5.006436496341392 (6.08684e-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: 0.18182706832885742
+elapsed time for k point: 0.5783984661102295
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -59949,7 +59948,7 @@
iteration 23: trace = 4.975984265381787 (5.44582e-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: 0.24282097816467285
+elapsed time for k point: 0.4741823673248291
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -59990,7 +59989,7 @@
iteration 18: trace = 5.036378479895265 (5.47222e-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: 0.14324140548706055
+elapsed time for k point: 0.37759971618652344
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -60037,7 +60036,7 @@
iteration 21: trace = 5.206566305891685 (3.93717e-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: 0.1691884994506836
+elapsed time for k point: 0.4298062324523926
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -60100,7 +60099,7 @@
iteration 29: trace = 5.417088766409226 (6.14845e-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: 0.2253875732421875
+elapsed time for k point: 0.6142630577087402
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -60173,7 +60172,7 @@
iteration 34: trace = 5.522267645664736 (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: 0.2621936798095703
+elapsed time for k point: 0.7097606658935547
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 5 iterations.
@@ -60368,7 +60367,7 @@
iteration 93: trace = 5.548117725324989 (3.6948e-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: 0.5549688339233398
+elapsed time for k point: 0.9019889831542969
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0>
Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0>
@@ -60380,13 +60379,13 @@
Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383%
Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081%
Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186%
-total elapsed time for run: 5.800880193710327
+total elapsed time for run: 11.770480871200562
done
Fixing e-field (band 8) phase by 2.61271e-07 + 1i; max ampl. = 1.10099
-.Outputting complex scalar field to /tmp/meepFBAM2J/test_output_charge_density-0-C.k16.b08.te.h5...
-/tmp/meepFBAM2J/test_output_charge_density-0: 5.82s
+.Outputting complex scalar field to /tmp/meepYM7cP9/test_output_charge_density-0-C.k16.b08.te.h5...
+/tmp/meepYM7cP9/test_output_charge_density-0: 11.80s
-/tmp/meepFBAM2J/test_output_dpwr_in_objects-0
+/tmp/meepYM7cP9/test_output_dpwr_in_objects-0
========================
Initializing eigensolver data
Computing 8 bands with 1e-12 tolerance
@@ -60429,7 +60428,7 @@
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: 0.003217458724975586
+elapsed time for initialization: 0.005051136016845703
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...
@@ -60540,12 +60539,12 @@
iteration 52: trace = 5.548117725324876 (4.74496e-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: 0.3138887882232666
+elapsed time for k point: 0.3858811855316162
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, 0.5527092320102558, 0.8567435000049138
-Outputting fields to /tmp/meepFBAM2J/test_output_dpwr_in_objects-0-d.k01.b02.te.h5...
+Outputting fields to /tmp/meepYM7cP9/test_output_dpwr_in_objects-0-d.k01.b02.te.h5...
D-energy-components:, 1, 3, 0.455928, 0.544072, 0
dpwr:, 3, 0.7732265593069425, 0.5288260557980025
D-energy-components:, 1, 4, 0.544076, 0.455924, 0
@@ -60808,7 +60807,7 @@
iteration 121: trace = 5.540497242579415 (3.78965e-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: 0.9335222244262695
+elapsed time for k point: 1.529740810394287
D-energy-components:, 2, 1, 0.0311142, 0.968886, 0
dpwr:, 1, 0.08973322605272535, 0.04603176936931879
D-energy-components:, 2, 2, 0.488088, 0.511912, 0
@@ -60881,7 +60880,7 @@
iteration 26: trace = 5.499374946276072 (6.76061e-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: 0.21281051635742188
+elapsed time for k point: 0.40010976791381836
D-energy-components:, 3, 1, 0.0363561, 0.963644, 0
dpwr:, 1, 0.1786920044640263, 0.05442207262852542
D-energy-components:, 3, 2, 0.446363, 0.553637, 0
@@ -60950,7 +60949,7 @@
iteration 24: trace = 5.485459080087868 (6.14144e-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: 0.08724617958068848
+elapsed time for k point: 0.23909282684326172
D-energy-components:, 4, 1, 0.0468976, 0.953102, 0
dpwr:, 1, 0.2657976067157466, 0.07189021130587141
D-energy-components:, 4, 2, 0.35602, 0.64398, 0
@@ -61027,7 +61026,7 @@
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: 0.10090231895446777
+elapsed time for k point: 0.44496583938598633
D-energy-components:, 5, 1, 0.0662302, 0.93377, 0
dpwr:, 1, 0.34895594992452517, 0.10384524472340306
D-energy-components:, 5, 2, 0.226367, 0.773633, 0
@@ -61136,7 +61135,7 @@
iteration 44: trace = 5.538866868553965 (9.66452e-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: 0.15791082382202148
+elapsed time for k point: 1.5310161113739014
D-energy-components:, 6, 1, 0.0773009, 0.922699, 0
dpwr:, 1, 0.4127906712654537, 0.08603996686487969
D-energy-components:, 6, 2, 0.165167, 0.834833, 0
@@ -61223,7 +61222,7 @@
iteration 33: trace = 5.419797732958394 (9.1099e-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: 0.11794567108154297
+elapsed time for k point: 0.7602415084838867
D-energy-components:, 7, 1, 0.12807, 0.87193, 0
dpwr:, 1, 0.42374146132378676, 0.08405292712340615
D-energy-components:, 7, 2, 0.190236, 0.809764, 0
@@ -61300,7 +61299,7 @@
iteration 28: trace = 5.240853948733916 (3.69619e-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: 0.10065984725952148
+elapsed time for k point: 0.5726556777954102
D-energy-components:, 8, 1, 0.253956, 0.746044, 0
dpwr:, 1, 0.45478127251547096, 0.08020083733719105
D-energy-components:, 8, 2, 0.258536, 0.741464, 0
@@ -61369,7 +61368,7 @@
iteration 24: trace = 5.09654427341062 (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: 0.08645176887512207
+elapsed time for k point: 0.21042656898498535
D-energy-components:, 9, 1, 0.353246, 0.646754, 0
dpwr:, 1, 0.4737665959361228, 0.5125827722133006
D-energy-components:, 9, 2, 0.406264, 0.593736, 0
@@ -61437,7 +61436,7 @@
iteration 23: trace = 5.006436496341392 (6.08684e-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: 0.08319520950317383
+elapsed time for k point: 0.5115735530853271
D-energy-components:, 10, 1, 0.450645, 0.549355, 0
dpwr:, 1, 0.4896492003298964, 0.6285469371617572
D-energy-components:, 10, 2, 0.55965, 0.44035, 0
@@ -61505,7 +61504,7 @@
iteration 23: trace = 4.975984265381787 (5.44582e-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: 0.08287596702575684
+elapsed time for k point: 0.5266246795654297
D-energy-components:, 11, 1, 0.500002, 0.499998, 0
dpwr:, 1, 0.49683586474489916, 0.698636026235475
D-energy-components:, 11, 2, 0.490408, 0.509592, 0
@@ -61562,7 +61561,7 @@
iteration 18: trace = 5.036378479895265 (5.47222e-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: 0.06576824188232422
+elapsed time for k point: 0.4131138324737549
D-energy-components:, 12, 1, 0.500001, 0.499999, 0
dpwr:, 1, 0.4709868954434166, 0.4184573101716424
D-energy-components:, 12, 2, 0.5, 0.5, 0
@@ -61625,7 +61624,7 @@
iteration 21: trace = 5.206566305891685 (3.93717e-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: 0.07611560821533203
+elapsed time for k point: 1.527512550354004
D-energy-components:, 13, 1, 0.499999, 0.500001, 0
dpwr:, 1, 0.37243467691290155, 0.12237408338139008
D-energy-components:, 13, 2, 0.500002, 0.499998, 0
@@ -61704,7 +61703,7 @@
iteration 29: trace = 5.417088766409226 (6.14845e-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: 0.10417652130126953
+elapsed time for k point: 4.630728721618652
D-energy-components:, 14, 1, 0.499999, 0.500001, 0
dpwr:, 1, 0.2520880962287429, 0.06537222988414773
D-energy-components:, 14, 2, 0.500003, 0.499997, 0
@@ -61793,7 +61792,7 @@
iteration 34: trace = 5.522267645664736 (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: 0.12188911437988281
+elapsed time for k point: 1.3819465637207031
D-energy-components:, 15, 1, 0.499999, 0.500001, 0
dpwr:, 1, 0.12684106903469353, 0.047952797705435486
D-energy-components:, 15, 2, 0.500003, 0.499997, 0
@@ -62004,12 +62003,12 @@
iteration 93: trace = 5.548117725324989 (3.6948e-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: 0.25293922424316406
+elapsed time for k point: 1.9519166946411133
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, 0.5527092320101988, 0.8567434642215929
-Outputting fields to /tmp/meepFBAM2J/test_output_dpwr_in_objects-0-d.k16.b02.te.h5...
+Outputting fields to /tmp/meepYM7cP9/test_output_dpwr_in_objects-0-d.k16.b02.te.h5...
D-energy-components:, 16, 3, 0.455928, 0.544072, 0
dpwr:, 3, 0.7732265593069757, 0.5288260828563163
D-energy-components:, 16, 4, 0.544076, 0.455924, 0
@@ -62033,11 +62032,11 @@
Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383%
Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081%
Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186%
-total elapsed time for run: 2.9910690784454346
+total elapsed time for run: 17.725994110107422
done
-/tmp/meepFBAM2J/test_output_dpwr_in_objects-0: 2.99s
+/tmp/meepYM7cP9/test_output_dpwr_in_objects-0: 17.75s
-/tmp/meepFBAM2J/test_output_efield_z-0
+/tmp/meepYM7cP9/test_output_efield_z-0
========================
Initializing eigensolver data
Computing 8 bands with 1e-12 tolerance
@@ -62080,7 +62079,7 @@
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: 0.0015873908996582031
+elapsed time for initialization: 0.012493610382080078
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...
@@ -62216,7 +62215,7 @@
iteration 61: trace = 4.373720851032911 (3.63295e-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: 0.16735315322875977
+elapsed time for k point: 1.1571342945098877
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -62267,7 +62266,7 @@
iteration 23: trace = 4.290857263081686 (9.13875e-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: 0.08304786682128906
+elapsed time for k point: 0.21841096878051758
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 3 iterations.
@@ -62298,7 +62297,7 @@
iteration 13: trace = 4.208307958519127 (3.8665e-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: 0.04800224304199219
+elapsed time for k point: 0.10860633850097656
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -62329,7 +62328,7 @@
iteration 13: trace = 4.150444015828809 (1.02932e-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: 0.04791259765625
+elapsed time for k point: 0.10086512565612793
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -62360,7 +62359,7 @@
iteration 13: trace = 4.119598598621691 (1.07368e-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: 0.04799818992614746
+elapsed time for k point: 0.10020661354064941
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -62391,7 +62390,7 @@
iteration 13: trace = 4.110777242725125 (6.69573e-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: 0.047991037368774414
+elapsed time for k point: 0.11041569709777832
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -62420,7 +62419,7 @@
iteration 12: trace = 4.099489964274799 (2.50671e-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: 0.04458141326904297
+elapsed time for k point: 0.09762072563171387
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -62447,7 +62446,7 @@
iteration 11: trace = 4.07945289580348 (8.21458e-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: 0.04086565971374512
+elapsed time for k point: 0.08971929550170898
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -62476,7 +62475,7 @@
iteration 12: trace = 4.068759276129137 (1.19188e-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: 0.0443570613861084
+elapsed time for k point: 0.4485747814178467
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -62509,7 +62508,7 @@
iteration 14: trace = 4.075526949349669 (2.60644e-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: 0.0514986515045166
+elapsed time for k point: 0.34359288215637207
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -62544,7 +62543,7 @@
iteration 15: trace = 4.092150433618242 (9.10284e-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: 0.055043697357177734
+elapsed time for k point: 0.3601036071777344
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -62581,7 +62580,7 @@
iteration 16: trace = 4.046652183676479 (2.14217e-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: 0.05851411819458008
+elapsed time for k point: 0.4337184429168701
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -62610,7 +62609,7 @@
iteration 12: trace = 4.04451323639685 (3.20398e-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: 0.044573068618774414
+elapsed time for k point: 0.29965925216674805
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -62639,7 +62638,7 @@
iteration 12: trace = 4.113415259755486 (2.54788e-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: 0.04444742202758789
+elapsed time for k point: 0.3709084987640381
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -62672,7 +62671,7 @@
iteration 14: trace = 4.240749642028247 (2.11324e-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: 0.051465511322021484
+elapsed time for k point: 0.19782447814941406
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 4 iterations.
@@ -62804,7 +62803,7 @@
iteration 59: trace = 4.373720851594716 (8.84783e-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: 0.1636953353881836
+elapsed time for k point: 0.43120789527893066
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2809479535253731 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.41711424932466257 at Vector3<0.5, 0.0, 0.0> to 0.5460267793370305 at Vector3<0.0, 0.0, 0.0>
Band 3 range: 0.4961974527654614 at Vector3<0.5, 0.5, 0.0> to 0.5576576362977227 at Vector3<0.5, 0.0, 0.0>
@@ -62815,13 +62814,13 @@
Band 8 range: 0.8793510958294791 at Vector3<0.5, 0.5, 0.0> to 1.0825923841452936 at Vector3<0.0, 0.0, 0.0>
Gap from band 1 (0.2809479535253731) to band 2 (0.41711424932466257), 39.01265395643889%
Gap from band 4 (0.7133951516423507) to band 5 (0.7413109657068669), 3.838000504924635%
-total elapsed time for run: 1.0443305969238281
+total elapsed time for run: 4.884284257888794
done
Fixing e-field (band 8) phase by 2.45827e-08 + -1i; max ampl. = 1.49941
-.Outputting fields to /tmp/meepFBAM2J/test_output_efield_z-0-e.k16.b08.z.tm.h5...
-/tmp/meepFBAM2J/test_output_efield_z-0: 1.05s
+.Outputting fields to /tmp/meepYM7cP9/test_output_efield_z-0-e.k16.b08.z.tm.h5...
+/tmp/meepYM7cP9/test_output_efield_z-0: 4.90s
-/tmp/meepFBAM2J/test_output_field_to_file-0
+/tmp/meepYM7cP9/test_output_field_to_file-0
========================
Initializing eigensolver data
Computing 8 bands with 1e-12 tolerance
@@ -62864,7 +62863,7 @@
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: 0.0017235279083251953
+elapsed time for initialization: 0.004113912582397461
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...
@@ -62975,7 +62974,7 @@
iteration 52: trace = 5.548117725324876 (4.74496e-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: 0.14514994621276855
+elapsed time for k point: 1.3919522762298584
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -63226,7 +63225,7 @@
iteration 121: trace = 5.540497242579415 (3.78965e-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: 0.43558359146118164
+elapsed time for k point: 3.4638378620147705
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -63283,7 +63282,7 @@
iteration 26: trace = 5.499374946276072 (6.76061e-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: 0.09472894668579102
+elapsed time for k point: 0.2123706340789795
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -63336,7 +63335,7 @@
iteration 24: trace = 5.485459080087868 (6.14144e-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: 0.0872340202331543
+elapsed time for k point: 0.21711039543151855
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -63397,7 +63396,7 @@
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: 0.10866713523864746
+elapsed time for k point: 0.4260222911834717
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -63490,7 +63489,7 @@
iteration 44: trace = 5.538866868553965 (9.66452e-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: 0.1571347713470459
+elapsed time for k point: 0.926201343536377
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -63561,7 +63560,7 @@
iteration 33: trace = 5.419797732958394 (9.1099e-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: 0.11817216873168945
+elapsed time for k point: 0.7981839179992676
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -63622,7 +63621,7 @@
iteration 28: trace = 5.240853948733916 (3.69619e-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: 0.10084819793701172
+elapsed time for k point: 0.4643425941467285
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -63675,7 +63674,7 @@
iteration 24: trace = 5.09654427341062 (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: 0.0864717960357666
+elapsed time for k point: 0.3239312171936035
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -63727,7 +63726,7 @@
iteration 23: trace = 5.006436496341392 (6.08684e-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: 0.0829918384552002
+elapsed time for k point: 0.6020951271057129
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -63779,7 +63778,7 @@
iteration 23: trace = 4.975984265381787 (5.44582e-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: 0.08267617225646973
+elapsed time for k point: 0.6578288078308105
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -63820,7 +63819,7 @@
iteration 18: trace = 5.036378479895265 (5.47222e-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: 0.06558418273925781
+elapsed time for k point: 0.47844600677490234
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -63867,7 +63866,7 @@
iteration 21: trace = 5.206566305891685 (3.93717e-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: 0.0760033130645752
+elapsed time for k point: 0.4069480895996094
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -63930,7 +63929,7 @@
iteration 29: trace = 5.417088766409226 (6.14845e-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: 0.10411763191223145
+elapsed time for k point: 0.5694434642791748
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -64003,7 +64002,7 @@
iteration 34: trace = 5.522267645664736 (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: 0.12180805206298828
+elapsed time for k point: 0.7742393016815186
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 5 iterations.
@@ -64198,7 +64197,7 @@
iteration 93: trace = 5.548117725324989 (3.6948e-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: 0.2527790069580078
+elapsed time for k point: 1.899641990661621
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0>
Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0>
@@ -64210,13 +64209,13 @@
Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383%
Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081%
Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186%
-total elapsed time for run: 2.1232564449310303
+total elapsed time for run: 13.621763706207275
done
epsilon: 1-12, mean 2.38229, harm. mean 1.1448, 14.5508% > 1, 12.5663% "fill"
-.Outputting /tmp/meepFBAM2J/test_output_field_to_file-0-epsilon.h5...
-/tmp/meepFBAM2J/test_output_field_to_file-0: 2.14s
+.Outputting /tmp/meepYM7cP9/test_output_field_to_file-0-epsilon.h5...
+/tmp/meepYM7cP9/test_output_field_to_file-0: 13.70s
-/tmp/meepFBAM2J/test_output_tot_pwr-0
+/tmp/meepYM7cP9/test_output_tot_pwr-0
========================
Initializing eigensolver data
Computing 8 bands with 1e-12 tolerance
@@ -64259,7 +64258,7 @@
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: 0.0016369819641113281
+elapsed time for initialization: 0.06258392333984375
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...
@@ -64370,7 +64369,7 @@
iteration 52: trace = 5.548117725324876 (4.74496e-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: 0.14279532432556152
+elapsed time for k point: 1.3831803798675537
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -64621,7 +64620,7 @@
iteration 121: trace = 5.540497242579415 (3.78965e-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: 0.42743730545043945
+elapsed time for k point: 4.407744884490967
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -64678,7 +64677,7 @@
iteration 26: trace = 5.499374946276072 (6.76061e-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: 0.09357857704162598
+elapsed time for k point: 0.655247688293457
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -64731,7 +64730,7 @@
iteration 24: trace = 5.485459080087868 (6.14144e-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: 0.08680391311645508
+elapsed time for k point: 0.2345876693725586
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -64792,7 +64791,7 @@
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: 0.10049033164978027
+elapsed time for k point: 0.23368358612060547
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -64885,7 +64884,7 @@
iteration 44: trace = 5.538866868553965 (9.66452e-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: 0.1563735008239746
+elapsed time for k point: 0.879345178604126
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -64956,7 +64955,7 @@
iteration 33: trace = 5.419797732958394 (9.1099e-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: 0.11780762672424316
+elapsed time for k point: 0.7831811904907227
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -65017,7 +65016,7 @@
iteration 28: trace = 5.240853948733916 (3.69619e-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: 0.10064888000488281
+elapsed time for k point: 0.6639893054962158
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -65070,7 +65069,7 @@
iteration 24: trace = 5.09654427341062 (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: 0.08649992942810059
+elapsed time for k point: 0.51766037940979
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -65122,7 +65121,7 @@
iteration 23: trace = 5.006436496341392 (6.08684e-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: 0.08291745185852051
+elapsed time for k point: 0.5927245616912842
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -65174,7 +65173,7 @@
iteration 23: trace = 4.975984265381787 (5.44582e-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: 0.08279752731323242
+elapsed time for k point: 0.23877477645874023
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -65215,7 +65214,7 @@
iteration 18: trace = 5.036378479895265 (5.47222e-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: 0.06570029258728027
+elapsed time for k point: 0.19536900520324707
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -65262,7 +65261,7 @@
iteration 21: trace = 5.206566305891685 (3.93717e-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: 0.07585430145263672
+elapsed time for k point: 0.20823407173156738
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -65325,7 +65324,7 @@
iteration 29: trace = 5.417088766409226 (6.14845e-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: 0.10410165786743164
+elapsed time for k point: 0.2806692123413086
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -65398,7 +65397,7 @@
iteration 34: trace = 5.522267645664736 (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: 0.12121152877807617
+elapsed time for k point: 0.8908743858337402
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 5 iterations.
@@ -65593,7 +65592,7 @@
iteration 93: trace = 5.548117725324989 (3.6948e-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: 0.25257086753845215
+elapsed time for k point: 2.16862416267395
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0>
Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0>
@@ -65605,16 +65604,16 @@
Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383%
Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081%
Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186%
-total elapsed time for run: 2.100841522216797
+total elapsed time for run: 14.39958381652832
done
D-energy-components:, 16, 8, 0.499991, 0.500009, 0
B-energy-components:, 16, 8, 0, 0, 1
-Outputting /tmp/meepFBAM2J/test_output_tot_pwr-0-tot.rpwr.k16.b08.te.h5...
+Outputting /tmp/meepYM7cP9/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/meepFBAM2J/test_output_tot_pwr-0: 2.11s
+./tmp/meepYM7cP9/test_output_tot_pwr-0: 14.42s
-/tmp/meepFBAM2J/test_point_defect_state-0
+/tmp/meepYM7cP9/test_point_defect_state-0
========================
Initializing eigensolver data
Computing 50 bands with 1e-12 tolerance
@@ -65692,7 +65691,7 @@
Initializing fields to random numbers...
1 k-points
Vector3<0.5, 0.5, 0.0>
-elapsed time for initialization: 0.03686356544494629
+elapsed time for initialization: 0.20543146133422852
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...
@@ -66218,321 +66217,321 @@
linmin: converged after 5 iterations.
iteration 7: trace = 2.173760379118843 (0.435545% change)
linmin: converged after 5 iterations.
- iteration 8: trace = 2.167774130834345 (0.275766% change)
+ iteration 8: trace = 2.167774130834347 (0.275766% change)
linmin: converged after 5 iterations.
- iteration 9: trace = 2.163580412369531 (0.193645% change)
+ iteration 9: trace = 2.163580412369534 (0.193645% change)
linmin: converged after 5 iterations.
- iteration 10: trace = 2.159739063083735 (0.177704% change)
+ iteration 10: trace = 2.159739063083734 (0.177704% change)
linmin: converged after 4 iterations.
- iteration 11: trace = 2.157022098206512 (0.12588% change)
+ iteration 11: trace = 2.15702209820651 (0.12588% change)
linmin: converged after 4 iterations.
- iteration 12: trace = 2.155362899544595 (0.0769504% change)
+ iteration 12: trace = 2.155362899544596 (0.0769504% change)
linmin: converged after 4 iterations.
- iteration 13: trace = 2.154174695745531 (0.055143% change)
+ iteration 13: trace = 2.15417469574553 (0.055143% change)
linmin: converged after 5 iterations.
- iteration 14: trace = 2.153097710199355 (0.0500078% change)
+ iteration 14: trace = 2.153097710199354 (0.0500078% change)
linmin: converged after 5 iterations.
iteration 15: trace = 2.152356410752688 (0.0344354% change)
linmin: converged after 5 iterations.
- iteration 16: trace = 2.151804496012085 (0.0256456% change)
+ iteration 16: trace = 2.151804496012086 (0.0256456% change)
linmin: converged after 5 iterations.
- iteration 17: trace = 2.151338213212591 (0.0216717% change)
+ iteration 17: trace = 2.151338213212585 (0.0216717% change)
linmin: converged after 4 iterations.
- iteration 18: trace = 2.151061655416888 (0.012856% change)
+ iteration 18: trace = 2.151061655416886 (0.012856% change)
linmin: converged after 5 iterations.
- iteration 19: trace = 2.150823285355223 (0.0110821% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 2.150656547787734 (0.00775257% change)
+ iteration 19: trace = 2.150823285355221 (0.0110821% change)
+ linmin: converged after 5 iterations.
+ iteration 20: trace = 2.150656547787729 (0.00775257% change)
linmin: converged after 4 iterations.
- iteration 21: trace = 2.150547249174874 (0.00508223% change)
+ iteration 21: trace = 2.150547249174877 (0.00508223% change)
linmin: converged after 4 iterations.
- iteration 22: trace = 2.150480112751347 (0.00312188% change)
+ iteration 22: trace = 2.150480112751344 (0.00312188% change)
linmin: converged after 4 iterations.
- iteration 23: trace = 2.150447078138262 (0.00153616% change)
- linmin: converged after 6 iterations.
- iteration 24: trace = 2.150426792532528 (0.000943325% change)
+ iteration 23: trace = 2.150447078138263 (0.00153616% change)
linmin: converged after 5 iterations.
- iteration 25: trace = 2.150415528122599 (0.000523823% change)
+ iteration 24: trace = 2.150426792532505 (0.000943325% change)
linmin: converged after 4 iterations.
- iteration 26: trace = 2.150409798893993 (0.000266425% change)
+ iteration 25: trace = 2.150415528122167 (0.000523823% change)
linmin: converged after 4 iterations.
- iteration 27: trace = 2.150405289612995 (0.000209694% change)
+ iteration 26: trace = 2.150409798893981 (0.000266425% change)
+ linmin: converged after 6 iterations.
+ iteration 27: trace = 2.150405289612916 (0.000209694% change)
linmin: converged after 5 iterations.
- iteration 28: trace = 2.150402141190848 (0.000146411% change)
+ iteration 28: trace = 2.150402141190802 (0.000146411% change)
linmin: converged after 5 iterations.
- iteration 29: trace = 2.150399522462378 (0.000121779% change)
- linmin: converged after 6 iterations.
- iteration 30: trace = 2.15039665038708 (0.00013356% change)
+ iteration 29: trace = 2.150399522462351 (0.000121779% change)
+ linmin: converged after 8 iterations.
+ iteration 30: trace = 2.150396650386881 (0.00013356% change)
linmin: converged after 5 iterations.
- iteration 31: trace = 2.150393099657722 (0.00016512% change)
+ iteration 31: trace = 2.150393099657709 (0.00016512% change)
linmin: converged after 6 iterations.
- iteration 32: trace = 2.150387655108852 (0.000253189% change)
+ iteration 32: trace = 2.150387655108673 (0.000253189% change)
linmin: converged after 5 iterations.
- iteration 33: trace = 2.150380791558313 (0.000319178% change)
- linmin: converged after 6 iterations.
- iteration 34: trace = 2.150373779754988 (0.000326073% change)
- linmin: converged after 6 iterations.
- iteration 35: trace = 2.150366764597099 (0.00032623% change)
- linmin: converged after 7 iterations.
- iteration 36: trace = 2.150359397062003 (0.000342618% change)
+ iteration 33: trace = 2.1503807915581 (0.000319178% change)
linmin: converged after 5 iterations.
- iteration 37: trace = 2.150351903688224 (0.000348471% change)
+ iteration 34: trace = 2.15037377975487 (0.000326073% change)
linmin: converged after 5 iterations.
- iteration 38: trace = 2.150343144581451 (0.000407334% change)
+ iteration 35: trace = 2.150366764596702 (0.00032623% change)
linmin: converged after 6 iterations.
- iteration 39: trace = 2.150335244515378 (0.000367387% change)
+ iteration 36: trace = 2.150359397061859 (0.000342618% change)
linmin: converged after 6 iterations.
- iteration 40: trace = 2.150328828223113 (0.000298386% change)
+ iteration 37: trace = 2.150351903689407 (0.000348471% change)
+ linmin: converged after 11 iterations.
+ iteration 38: trace = 2.150343144579903 (0.000407335% change)
linmin: converged after 5 iterations.
- iteration 41: trace = 2.150323123442618 (0.000265298% change)
+ iteration 39: trace = 2.15033524451654 (0.000367387% change)
+ linmin: converged after 4 iterations.
+ iteration 40: trace = 2.150328828221297 (0.000298386% change)
linmin: converged after 5 iterations.
- iteration 42: trace = 2.150319840871887 (0.000152655% change)
+ iteration 41: trace = 2.150323123441815 (0.000265298% change)
linmin: converged after 3 iterations.
- iteration 43: trace = 2.150317369712293 (0.000114921% change)
- linmin: converged after 10 iterations.
- iteration 44: trace = 2.150315485749122 (8.76133e-05% change)
- linmin: converged after 4 iterations.
- iteration 45: trace = 2.150314485103233 (4.65349e-05% change)
+ iteration 42: trace = 2.150319840871659 (0.000152655% change)
linmin: converged after 3 iterations.
- iteration 46: trace = 2.150313850325438 (2.95202e-05% change)
- linmin: converged after 5 iterations.
- iteration 47: trace = 2.150313567748734 (1.31412e-05% change)
- linmin: converged after 5 iterations.
- iteration 48: trace = 2.150313402389934 (7.68999e-06% change)
+ iteration 43: trace = 2.150317369711702 (0.000114921% change)
+ linmin: converged after 6 iterations.
+ iteration 44: trace = 2.15031548574945 (8.76133e-05% change)
+ linmin: converged after 3 iterations.
+ iteration 45: trace = 2.150314485103042 (4.65349e-05% change)
linmin: converged after 7 iterations.
- iteration 49: trace = 2.150313290594287 (5.19904e-06% change)
+ iteration 46: trace = 2.150313850325226 (2.95202e-05% change)
+ linmin: converged after 5 iterations.
+ iteration 47: trace = 2.150313567748621 (1.31412e-05% change)
linmin: converged after 7 iterations.
- iteration 50: trace = 2.150313233313265 (2.66385e-06% change)
- linmin: converged after 10 iterations.
- iteration 51: trace = 2.150313205104854 (1.31183e-06% change)
- linmin: converged after 3 iterations.
- iteration 52: trace = 2.150313191064191 (6.52959e-07% change)
+ iteration 48: trace = 2.150313402389803 (7.68999e-06% change)
+ linmin: converged after 5 iterations.
+ iteration 49: trace = 2.150313290594153 (5.19904e-06% change)
+ linmin: converged after 6 iterations.
+ iteration 50: trace = 2.150313233311027 (2.66394e-06% change)
+ linmin: converged after 8 iterations.
+ iteration 51: trace = 2.150313205104588 (1.31174e-06% change)
linmin: converged after 2 iterations.
- iteration 53: trace = 2.150313183156568 (3.67743e-07% change)
- linmin: converged after 4 iterations.
- iteration 54: trace = 2.150313178006574 (2.395e-07% change)
+ iteration 52: trace = 2.150313191064193 (6.52947e-07% change)
+ linmin: converged after 2 iterations.
+ iteration 53: trace = 2.150313183156648 (3.67739e-07% change)
+ linmin: converged after 2 iterations.
+ iteration 54: trace = 2.150313178006798 (2.39493e-07% change)
linmin: converged after 4 iterations.
- iteration 55: trace = 2.150313174684764 (1.5448e-07% change)
+ iteration 55: trace = 2.15031317468481 (1.54489e-07% change)
linmin: converged after 4 iterations.
- iteration 56: trace = 2.150313172987224 (7.89439e-08% change)
- linmin: converged after 21 iterations.
- iteration 57: trace = 2.150313171840691 (5.33193e-08% change)
+ iteration 56: trace = 2.150313172987311 (7.89419e-08% change)
linmin: converged after 3 iterations.
- iteration 58: trace = 2.150313171039512 (3.72587e-08% change)
- linmin: converged after 13 iterations.
- iteration 59: trace = 2.150313170619235 (1.95449e-08% change)
+ iteration 57: trace = 2.150313171840801 (5.33183e-08% change)
linmin: converged after 2 iterations.
- iteration 60: trace = 2.15031317031079 (1.43442e-08% change)
- linmin: converged after 3 iterations.
- iteration 61: trace = 2.150313170079609 (1.0751e-08% change)
+ iteration 58: trace = 2.150313171039609 (3.72593e-08% change)
+ linmin: converged after 4 iterations.
+ iteration 59: trace = 2.150313170619346 (1.95442e-08% change)
linmin: converged after 3 iterations.
- iteration 62: trace = 2.150313169877512 (9.39851e-09% change)
+ iteration 60: trace = 2.150313170310902 (1.43442e-08% change)
linmin: converged after 2 iterations.
- iteration 63: trace = 2.150313169681881 (9.09777e-09% change)
+ iteration 61: trace = 2.150313170079691 (1.07524e-08% change)
linmin: converged after 2 iterations.
- iteration 64: trace = 2.150313169527683 (7.17098e-09% change)
- linmin: converged after 2 iterations.
- iteration 65: trace = 2.150313169349942 (8.26582e-09% change)
- linmin: converged after 2 iterations.
- iteration 66: trace = 2.150313169165071 (8.59741e-09% change)
- linmin: converged after 11 iterations.
- iteration 67: trace = 2.150313168972158 (8.97138e-09% change)
+ iteration 62: trace = 2.15031316987761 (9.39775e-09% change)
+ linmin: converged after 4 iterations.
+ iteration 63: trace = 2.150313169681972 (9.09815e-09% change)
+ linmin: converged after 6 iterations.
+ iteration 64: trace = 2.150313169527739 (7.17259e-09% change)
+ linmin: converged after 3 iterations.
+ iteration 65: trace = 2.15031316935002 (8.26478e-09% change)
linmin: converged after 2 iterations.
- iteration 68: trace = 2.150313168727332 (1.13856e-08% change)
+ iteration 66: trace = 2.150313169165146 (8.59755e-09% change)
+ linmin: converged after 5 iterations.
+ iteration 67: trace = 2.150313168972199 (8.97295e-09% change)
+ linmin: converged after 4 iterations.
+ iteration 68: trace = 2.150313168727388 (1.13849e-08% change)
linmin: converged after 3 iterations.
- iteration 69: trace = 2.150313168488646 (1.11001e-08% change)
+ iteration 69: trace = 2.150313168488697 (1.11003e-08% change)
resetting CG direction...
- linmin: converged after 2 iterations.
- iteration 70: trace = 2.150313168384446 (4.84579e-09% change)
+ linmin: converged after 6 iterations.
+ iteration 70: trace = 2.15031316838449 (4.84615e-09% change)
+ linmin: converged after 3 iterations.
+ iteration 71: trace = 2.150313168200631 (8.55034e-09% change)
linmin: converged after 3 iterations.
- iteration 71: trace = 2.150313168200573 (8.55098e-09% change)
+ iteration 72: trace = 2.150313168068283 (6.15482e-09% change)
linmin: converged after 2 iterations.
- iteration 72: trace = 2.150313168068241 (6.1541e-09% change)
+ iteration 73: trace = 2.150313167955831 (5.22958e-09% change)
+ linmin: converged after 4 iterations.
+ iteration 74: trace = 2.150313167849667 (4.93712e-09% change)
linmin: converged after 2 iterations.
- iteration 73: trace = 2.150313167955788 (5.22962e-09% change)
+ iteration 75: trace = 2.150313167775666 (3.44142e-09% change)
linmin: converged after 3 iterations.
- iteration 74: trace = 2.150313167849613 (4.93761e-09% change)
- linmin: converged after 3 iterations.
- iteration 75: trace = 2.150313167775622 (3.44096e-09% change)
- linmin: converged after 3 iterations.
- iteration 76: trace = 2.150313167691678 (3.90378e-09% change)
+ iteration 76: trace = 2.15031316769171 (3.90438e-09% change)
linmin: converged after 2 iterations.
- iteration 77: trace = 2.150313167607472 (3.91603e-09% change)
+ iteration 77: trace = 2.150313167607504 (3.91597e-09% change)
linmin: converged after 2 iterations.
- iteration 78: trace = 2.150313167537983 (3.23157e-09% change)
+ iteration 78: trace = 2.150313167538014 (3.23163e-09% change)
linmin: converged after 2 iterations.
- iteration 79: trace = 2.150313167462588 (3.5062e-09% change)
- linmin: converged after 6 iterations.
- iteration 80: trace = 2.150313167392504 (3.25928e-09% change)
+ iteration 79: trace = 2.150313167462598 (3.50719e-09% change)
linmin: converged after 2 iterations.
- iteration 81: trace = 2.150313167303481 (4.13996e-09% change)
- linmin: converged after 4 iterations.
- iteration 82: trace = 2.150313167175205 (5.96546e-09% change)
+ iteration 80: trace = 2.150313167392543 (3.25792e-09% change)
linmin: converged after 2 iterations.
- iteration 83: trace = 2.150313167058008 (5.45023e-09% change)
+ iteration 81: trace = 2.15031316730351 (4.14044e-09% change)
+ linmin: converged after 3 iterations.
+ iteration 82: trace = 2.150313167175226 (5.96583e-09% change)
+ linmin: converged after 4 iterations.
+ iteration 83: trace = 2.150313167058024 (5.45049e-09% change)
linmin: converged after 6 iterations.
- iteration 84: trace = 2.150313166920491 (6.39521e-09% change)
+ iteration 84: trace = 2.150313166920506 (6.39525e-09% change)
linmin: converged after 2 iterations.
- iteration 85: trace = 2.150313166761648 (7.38698e-09% change)
+ iteration 85: trace = 2.150313166761667 (7.38677e-09% change)
linmin: converged after 3 iterations.
- iteration 86: trace = 2.150313166661039 (4.67882e-09% change)
- linmin: converged after 3 iterations.
- iteration 87: trace = 2.150313166582913 (3.63324e-09% change)
+ iteration 86: trace = 2.150313166661037 (4.67979e-09% change)
+ linmin: converged after 2 iterations.
+ iteration 87: trace = 2.150313166582903 (3.63359e-09% change)
+ linmin: converged after 7 iterations.
+ iteration 88: trace = 2.150313166516761 (3.07593e-09% change)
+ linmin: converged after 2 iterations.
+ iteration 89: trace = 2.150313166476429 (1.87564e-09% change)
linmin: converged after 4 iterations.
- iteration 88: trace = 2.150313166516767 (3.0761e-09% change)
- linmin: converged after 3 iterations.
- iteration 89: trace = 2.150313166476436 (1.87558e-09% change)
- linmin: converged after 3 iterations.
- iteration 90: trace = 2.150313166453959 (1.04532e-09% change)
+ iteration 90: trace = 2.15031316645396 (1.0449e-09% change)
linmin: converged after 4 iterations.
- iteration 91: trace = 2.150313166443228 (4.99022e-10% change)
- linmin: converged after 2 iterations.
- iteration 92: trace = 2.150313166437208 (2.79963e-10% change)
+ iteration 91: trace = 2.150313166443228 (4.99104e-10% change)
+ linmin: converged after 6 iterations.
+ iteration 92: trace = 2.150313166437209 (2.79901e-10% change)
+ linmin: converged after 4 iterations.
+ iteration 93: trace = 2.150313166432872 (2.0169e-10% change)
linmin: converged after 3 iterations.
- iteration 93: trace = 2.150313166432881 (2.01236e-10% change)
- linmin: converged after 7 iterations.
- iteration 94: trace = 2.15031316643078 (9.7706e-11% change)
+ iteration 94: trace = 2.150313166430776 (9.74995e-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 13 iterations.
- iteration 1: trace = 8.545615064988477 (191.103% change)
linmin: converged after 8 iterations.
- iteration 2: trace = 3.261177020959319 (89.5152% change)
- linmin: converged after 6 iterations.
- iteration 3: trace = 2.735430573200602 (17.5348% change)
+ iteration 1: trace = 8.545615064955346 (191.103% change)
+ linmin: converged after 8 iterations.
+ iteration 2: trace = 3.261177021002489 (89.5152% change)
linmin: converged after 6 iterations.
- iteration 4: trace = 2.599623175177841 (5.09114% change)
+ iteration 3: trace = 2.735430573230346 (17.5348% change)
+ linmin: converged after 5 iterations.
+ iteration 4: trace = 2.599623175194042 (5.09114% change)
linmin: converged after 6 iterations.
- iteration 5: trace = 2.527777768730765 (2.80241% change)
+ iteration 5: trace = 2.527777768746663 (2.80241% change)
linmin: converged after 6 iterations.
- iteration 6: trace = 2.486971986894361 (1.62743% change)
+ iteration 6: trace = 2.486971986915944 (1.62743% change)
linmin: converged after 5 iterations.
- iteration 7: trace = 2.468814644263359 (0.732773% change)
- linmin: converged after 7 iterations.
- iteration 8: trace = 2.458530008747287 (0.417451% change)
+ iteration 7: trace = 2.468814644289866 (0.732773% change)
+ linmin: converged after 5 iterations.
+ iteration 8: trace = 2.458530008775574 (0.417451% change)
linmin: converged after 5 iterations.
- iteration 9: trace = 2.452010604792638 (0.265527% change)
+ iteration 9: trace = 2.452010604897636 (0.265527% change)
linmin: converged after 5 iterations.
- iteration 10: trace = 2.446951935961674 (0.20652% change)
+ iteration 10: trace = 2.446951935982947 (0.20652% change)
linmin: converged after 5 iterations.
- iteration 11: trace = 2.443000264878866 (0.161624% change)
+ iteration 11: trace = 2.443000264868221 (0.161624% change)
linmin: converged after 4 iterations.
- iteration 12: trace = 2.440801958902615 (0.0900244% change)
+ iteration 12: trace = 2.440801958887805 (0.0900244% change)
linmin: converged after 4 iterations.
- iteration 13: trace = 2.439651917245068 (0.0471285% change)
+ iteration 13: trace = 2.439651917262315 (0.0471285% change)
linmin: converged after 5 iterations.
- iteration 14: trace = 2.438794386046162 (0.0351559% change)
+ iteration 14: trace = 2.438794386057058 (0.0351559% change)
linmin: converged after 5 iterations.
- iteration 15: trace = 2.438022815245383 (0.0316424% change)
+ iteration 15: trace = 2.43802281526741 (0.0316424% change)
linmin: converged after 5 iterations.
- iteration 16: trace = 2.437314214162286 (0.0290688% change)
+ iteration 16: trace = 2.437314214189137 (0.0290688% change)
linmin: converged after 5 iterations.
- iteration 17: trace = 2.436427434786529 (0.0363901% change)
+ iteration 17: trace = 2.436427434798389 (0.0363901% change)
linmin: converged after 5 iterations.
- iteration 18: trace = 2.435606064883372 (0.0337177% change)
+ iteration 18: trace = 2.435606064887636 (0.0337177% change)
linmin: converged after 5 iterations.
- iteration 19: trace = 2.435080522313934 (0.0215798% change)
+ iteration 19: trace = 2.435080522321182 (0.0215798% change)
linmin: converged after 5 iterations.
- iteration 20: trace = 2.434730903992929 (0.0143586% change)
+ iteration 20: trace = 2.434730903995121 (0.0143586% change)
linmin: converged after 5 iterations.
- iteration 21: trace = 2.434515489420207 (0.00884796% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 2.43439015648767 (0.0051483% change)
+ iteration 21: trace = 2.434515489424045 (0.00884796% change)
linmin: converged after 4 iterations.
- iteration 23: trace = 2.43428994212513 (0.0041167% change)
+ iteration 22: trace = 2.434390156492517 (0.0051483% change)
linmin: converged after 4 iterations.
- iteration 24: trace = 2.434215166715971 (0.0030718% change)
+ iteration 23: trace = 2.434289942129963 (0.0041167% change)
linmin: converged after 4 iterations.
- iteration 25: trace = 2.43415114845797 (0.00262997% change)
+ iteration 24: trace = 2.434215166718979 (0.0030718% change)
linmin: converged after 4 iterations.
- iteration 26: trace = 2.434099388359072 (0.00212644% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 2.434069520683534 (0.00122706% change)
+ iteration 25: trace = 2.43415114846057 (0.00262997% change)
+ linmin: converged after 5 iterations.
+ iteration 26: trace = 2.434099388359106 (0.00212644% change)
linmin: converged after 4 iterations.
- iteration 28: trace = 2.434051894177866 (0.00072416% change)
+ iteration 27: trace = 2.434069520682713 (0.00122706% change)
+ linmin: converged after 6 iterations.
+ iteration 28: trace = 2.434051894177385 (0.00072416% change)
linmin: converged after 6 iterations.
- iteration 29: trace = 2.434040920660008 (0.000450834% change)
+ iteration 29: trace = 2.434040920659748 (0.000450834% change)
linmin: converged after 6 iterations.
- iteration 30: trace = 2.434034872116067 (0.000248498% change)
+ iteration 30: trace = 2.434034872115986 (0.000248498% change)
linmin: converged after 5 iterations.
- iteration 31: trace = 2.434031134496718 (0.000153557% change)
+ iteration 31: trace = 2.434031134496804 (0.000153557% change)
linmin: converged after 5 iterations.
- iteration 32: trace = 2.434028967612021 (8.90246e-05% change)
+ iteration 32: trace = 2.434028967612147 (8.90246e-05% change)
linmin: converged after 5 iterations.
- iteration 33: trace = 2.434027725302496 (5.10392e-05% change)
+ iteration 33: trace = 2.434027725302595 (5.10392e-05% change)
+ linmin: converged after 6 iterations.
+ iteration 34: trace = 2.434026886520718 (3.44607e-05% change)
linmin: converged after 5 iterations.
- iteration 34: trace = 2.43402688652064 (3.44607e-05% change)
+ iteration 35: trace = 2.43402613865067 (3.07256e-05% change)
linmin: converged after 5 iterations.
- iteration 35: trace = 2.434026138650661 (3.07256e-05% change)
+ iteration 36: trace = 2.4340254509205 (2.82548e-05% change)
linmin: converged after 5 iterations.
- iteration 36: trace = 2.434025450920533 (2.82548e-05% change)
+ iteration 37: trace = 2.434024951043304 (2.05371e-05% change)
linmin: converged after 5 iterations.
- iteration 37: trace = 2.434024951043302 (2.05371e-05% change)
+ iteration 38: trace = 2.434024674066363 (1.13794e-05% change)
linmin: converged after 5 iterations.
- iteration 38: trace = 2.434024674066367 (1.13794e-05% change)
- linmin: converged after 11 iterations.
- iteration 39: trace = 2.434024546234764 (5.25186e-06% change)
+ iteration 39: trace = 2.434024546234761 (5.25186e-06% change)
linmin: converged after 4 iterations.
- iteration 40: trace = 2.434024472708239 (3.02078e-06% change)
- linmin: converged after 16 iterations.
- iteration 41: trace = 2.434024422641628 (2.05695e-06% change)
+ iteration 40: trace = 2.434024472707927 (3.02079e-06% change)
+ linmin: converged after 7 iterations.
+ iteration 41: trace = 2.434024422642368 (2.0569e-06% change)
linmin: converged after 5 iterations.
- iteration 42: trace = 2.434024388298194 (1.41097e-06% change)
- linmin: converged after 10 iterations.
- iteration 43: trace = 2.434024363245127 (1.02929e-06% change)
+ iteration 42: trace = 2.434024388298618 (1.41099e-06% change)
+ linmin: converged after 7 iterations.
+ iteration 43: trace = 2.434024363245329 (1.02929e-06% change)
linmin: converged after 2 iterations.
- iteration 44: trace = 2.434024345052513 (7.47429e-07% change)
+ iteration 44: trace = 2.434024345052931 (7.47421e-07% change)
+ linmin: converged after 3 iterations.
+ iteration 45: trace = 2.434024334362956 (4.39189e-07% change)
+ linmin: converged after 7 iterations.
+ iteration 46: trace = 2.434024326948149 (3.04632e-07% change)
linmin: converged after 2 iterations.
- iteration 45: trace = 2.434024334362809 (4.39178e-07% change)
+ iteration 47: trace = 2.434024320899215 (2.48516e-07% change)
linmin: converged after 2 iterations.
- iteration 46: trace = 2.434024326947982 (3.04632e-07% change)
+ iteration 48: trace = 2.434024317216479 (1.51302e-07% change)
linmin: converged after 2 iterations.
- iteration 47: trace = 2.434024320899082 (2.48514e-07% change)
- linmin: converged after 3 iterations.
- iteration 48: trace = 2.434024317216461 (1.51298e-07% change)
+ iteration 49: trace = 2.434024315166997 (8.42014e-08% change)
linmin: converged after 2 iterations.
- iteration 49: trace = 2.434024315166989 (8.4201e-08% change)
+ iteration 50: trace = 2.434024314138602 (4.22508e-08% change)
linmin: converged after 2 iterations.
- iteration 50: trace = 2.434024314138627 (4.22495e-08% change)
- linmin: converged after 3 iterations.
- iteration 51: trace = 2.434024313589964 (2.25414e-08% change)
- linmin: converged after 3 iterations.
- iteration 52: trace = 2.434024313234834 (1.45902e-08% change)
- linmin: converged after 3 iterations.
- iteration 53: trace = 2.434024312971761 (1.08082e-08% change)
- linmin: converged after 5 iterations.
- iteration 54: trace = 2.434024312719699 (1.03558e-08% change)
+ iteration 51: trace = 2.434024313589948 (2.2541e-08% change)
+ linmin: converged after 2 iterations.
+ iteration 52: trace = 2.434024313234822 (1.45901e-08% change)
linmin: converged after 2 iterations.
- iteration 55: trace = 2.434024312512227 (8.5238e-09% change)
+ iteration 53: trace = 2.434024312971753 (1.0808e-08% change)
linmin: converged after 2 iterations.
- iteration 56: trace = 2.434024312381284 (5.3797e-09% change)
+ iteration 54: trace = 2.434024312719689 (1.03559e-08% change)
linmin: converged after 4 iterations.
- iteration 57: trace = 2.434024312305171 (3.12702e-09% change)
- linmin: converged after 3 iterations.
- iteration 58: trace = 2.434024312262395 (1.75746e-09% change)
- linmin: converged after 3 iterations.
- iteration 59: trace = 2.434024312237022 (1.04241e-09% change)
+ iteration 55: trace = 2.434024312512236 (8.52303e-09% change)
linmin: converged after 4 iterations.
- iteration 60: trace = 2.434024312222581 (5.93293e-10% change)
- linmin: converged after 3 iterations.
- iteration 61: trace = 2.434024312214297 (3.40325e-10% change)
+ iteration 56: trace = 2.434024312381283 (5.38009e-09% change)
linmin: converged after 3 iterations.
- iteration 62: trace = 2.434024312207981 (2.59518e-10% change)
+ iteration 57: trace = 2.434024312305164 (3.12729e-09% change)
+ linmin: converged after 4 iterations.
+ iteration 58: trace = 2.434024312262389 (1.7574e-09% change)
+ linmin: converged after 6 iterations.
+ iteration 59: trace = 2.434024312237017 (1.0424e-09% change)
+ linmin: converged after 5 iterations.
+ iteration 60: trace = 2.434024312222584 (5.92946e-10% change)
+ linmin: converged after 4 iterations.
+ iteration 61: trace = 2.434024312214287 (3.40891e-10% change)
linmin: converged after 3 iterations.
- iteration 63: trace = 2.434024312203503 (1.83983e-10% change)
+ iteration 62: trace = 2.434024312207971 (2.59463e-10% change)
+ linmin: converged after 6 iterations.
+ iteration 63: trace = 2.434024312203509 (1.83326e-10% change)
linmin: converged after 3 iterations.
- iteration 64: trace = 2.434024312200226 (1.3463e-10% change)
+ iteration 64: trace = 2.434024312200225 (1.34922e-10% change)
linmin: converged after 3 iterations.
- iteration 65: trace = 2.43402431219786 (9.72097e-11% change)
+ iteration 65: trace = 2.434024312197838 (9.80672e-11% change)
Finished solving for bands 41 to 50 after 65 iterations.
Finished k-point with 79.8 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: 69.55634021759033
-total elapsed time for run: 69.59357714653015
+elapsed time for k point: 377.16282320022583
+total elapsed time for run: 377.3686375617981
done
Fixing e-field (band 25) phase by -0.243926 + -0.969794i; max ampl. = 0.816569
-Outputting fields to /tmp/meepFBAM2J/test_point_defect_state-0-e.k01.b25.z.tm.h5...
+Outputting fields to /tmp/meepYM7cP9/test_point_defect_state-0-e.k01.b25.z.tm.h5...
Fixing d-field (band 25) phase by -1 + -3.2103e-07i; max ampl. = 3.30563
D-energy-components:, 1, 25, 0, 0, 1
Initializing eigensolver data
@@ -66612,7 +66611,7 @@
Initializing fields to random numbers...
1 k-points
Vector3<0.5, 0.5, 0.0>
-elapsed time for initialization: 0.014231681823730469
+elapsed time for initialization: 0.0489046573638916
solve_kpoint (0.5,0.5,0):
tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1
Solving for bands 1 to 1...
@@ -66749,245 +66748,245 @@
iteration 58: trace = 0.00104513236917925 (1.91429% change)
large trace change predicted (5.01463%)
linmin: converged after 3 iterations.
- iteration 59: trace = 0.0009893701135198281 (5.48166% change)
+ iteration 59: trace = 0.0009893701135198292 (5.48166% change)
linmin: converged after 4 iterations.
- iteration 60: trace = 0.0009134884190754318 (7.97555% change)
+ iteration 60: trace = 0.0009134884190754299 (7.97555% change)
linmin: converged after 3 iterations.
- iteration 61: trace = 0.0008747574426590745 (4.33173% change)
+ iteration 61: trace = 0.0008747574426590694 (4.33173% change)
linmin: converged after 4 iterations.
- iteration 62: trace = 0.000858354469847565 (1.89289% change)
+ iteration 62: trace = 0.000858354469847563 (1.89289% change)
linmin: converged after 4 iterations.
- iteration 63: trace = 0.0008424113301520901 (1.87482% change)
+ iteration 63: trace = 0.0008424113301520909 (1.87482% change)
linmin: converged after 3 iterations.
- iteration 64: trace = 0.0008152380191264982 (3.27854% change)
+ iteration 64: trace = 0.0008152380191264975 (3.27854% change)
linmin: converged after 3 iterations.
- iteration 65: trace = 0.0007878477209784786 (3.4172% change)
+ iteration 65: trace = 0.0007878477209784779 (3.4172% change)
linmin: converged after 4 iterations.
- iteration 66: trace = 0.0007745627297707628 (1.70058% change)
+ iteration 66: trace = 0.0007745627297707618 (1.70058% change)
linmin: converged after 4 iterations.
- iteration 67: trace = 0.0007672194415439306 (0.952571% change)
+ iteration 67: trace = 0.0007672194415439325 (0.952571% change)
linmin: converged after 4 iterations.
- iteration 68: trace = 0.0007562123534745159 (1.44504% change)
+ iteration 68: trace = 0.0007562123534745165 (1.44504% change)
large trace change predicted (3.45965%)
linmin: converged after 3 iterations.
- iteration 69: trace = 0.0007292232463818434 (3.63383% change)
+ iteration 69: trace = 0.0007292232463818413 (3.63383% change)
resetting CG direction...
linmin: converged after 3 iterations.
- iteration 70: trace = 0.000720171878879658 (1.24899% change)
+ iteration 70: trace = 0.0007201718788796592 (1.24899% change)
large trace change predicted (5.3862%)
linmin: converged after 3 iterations.
- iteration 71: trace = 0.0006820040470914096 (5.44409% change)
+ iteration 71: trace = 0.0006820040470914168 (5.44409% change)
linmin: converged after 3 iterations.
- iteration 72: trace = 0.0006742704060955606 (1.14042% change)
+ iteration 72: trace = 0.0006742704060955676 (1.14042% change)
large trace change predicted (28.309%)
linmin: converged after 4 iterations.
- iteration 73: trace = 0.0005003027005619296 (29.6223% change)
+ iteration 73: trace = 0.0005003027005612641 (29.6223% change)
linmin: converged after 3 iterations.
- iteration 74: trace = 0.000490365838401777 (2.00609% change)
+ iteration 74: trace = 0.0004903658384017742 (2.00609% change)
large trace change predicted (6.19981%)
linmin: converged after 4 iterations.
- iteration 75: trace = 0.0004599272329149868 (6.40615% change)
+ iteration 75: trace = 0.0004599272329149532 (6.40615% change)
linmin: converged after 3 iterations.
- iteration 76: trace = 0.0004555356683804556 (0.959419% change)
+ iteration 76: trace = 0.0004555356683804523 (0.959419% change)
linmin: converged after 3 iterations.
- iteration 77: trace = 0.00045493958832287 (0.130938% change)
+ iteration 77: trace = 0.0004549395883227713 (0.130938% change)
large trace change predicted (0.67778%)
linmin: converged after 3 iterations.
- iteration 78: trace = 0.0004518602134421153 (0.679174% change)
+ iteration 78: trace = 0.0004518602134421152 (0.679174% change)
linmin: converged after 3 iterations.
- iteration 79: trace = 0.0004469389689300242 (1.09507% change)
+ iteration 79: trace = 0.0004469389689295624 (1.09507% change)
linmin: converged after 3 iterations.
- iteration 80: trace = 0.0004430305347445143 (0.87833% change)
+ iteration 80: trace = 0.0004430305347444902 (0.87833% change)
linmin: converged after 3 iterations.
- iteration 81: trace = 0.0004426074253562628 (0.0955491% change)
+ iteration 81: trace = 0.000442607425356213 (0.0955491% change)
large trace change predicted (1.38401%)
linmin: converged after 3 iterations.
- iteration 82: trace = 0.0004365008052143844 (1.38928% change)
+ iteration 82: trace = 0.0004365008052143807 (1.38928% change)
linmin: converged after 2 iterations.
- iteration 83: trace = 0.0004357919435503435 (0.162528% change)
+ iteration 83: trace = 0.0004357919435499626 (0.162528% change)
large trace change predicted (0.763752%)
linmin: converged after 4 iterations.
- iteration 84: trace = 0.0004324623297514738 (0.766967% change)
+ iteration 84: trace = 0.0004324623297514571 (0.766967% change)
linmin: converged after 2 iterations.
- iteration 85: trace = 0.000432289073001036 (0.0400709% change)
+ iteration 85: trace = 0.0004322890730010333 (0.0400709% change)
large trace change predicted (1.24372%)
linmin: converged after 4 iterations.
- iteration 86: trace = 0.0004268775609673482 (1.25971% change)
+ iteration 86: trace = 0.0004268775609671831 (1.25971% change)
linmin: converged after 2 iterations.
- iteration 87: trace = 0.000426488620218929 (0.0911545% change)
+ iteration 87: trace = 0.000426488620218934 (0.0911545% change)
large trace change predicted (0.708716%)
linmin: converged after 4 iterations.
- iteration 88: trace = 0.0004234535788968569 (0.714176% change)
+ iteration 88: trace = 0.0004234535788968159 (0.714176% change)
linmin: converged after 2 iterations.
- iteration 89: trace = 0.0004232426024739949 (0.0498352% change)
+ iteration 89: trace = 0.0004232426024739935 (0.0498352% change)
large trace change predicted (0.349643%)
linmin: converged after 4 iterations.
- iteration 90: trace = 0.0004217579218241389 (0.351403% change)
+ iteration 90: trace = 0.0004217579218232346 (0.351403% change)
linmin: converged after 4 iterations.
- iteration 91: trace = 0.0004207658759738874 (0.235494% change)
+ iteration 91: trace = 0.0004207658759738886 (0.235494% change)
linmin: converged after 4 iterations.
- iteration 92: trace = 0.0004196438065784965 (0.267029% change)
+ iteration 92: trace = 0.000419643806578354 (0.267029% change)
linmin: converged after 4 iterations.
- iteration 93: trace = 0.0004186306125287541 (0.241733% change)
+ iteration 93: trace = 0.0004186306125287615 (0.241733% change)
linmin: converged after 2 iterations.
- iteration 94: trace = 0.0004184953846839999 (0.0323076% change)
+ iteration 94: trace = 0.0004184953846838694 (0.0323076% change)
large trace change predicted (0.125504%)
linmin: converged after 4 iterations.
- iteration 95: trace = 0.0004179692102346515 (0.125809% change)
+ iteration 95: trace = 0.0004179692102346542 (0.125809% change)
linmin: converged after 4 iterations.
- iteration 96: trace = 0.0004174146485235401 (0.132768% change)
+ iteration 96: trace = 0.0004174146485233506 (0.132768% change)
linmin: converged after 4 iterations.
- iteration 97: trace = 0.0004169210653863607 (0.118318% change)
+ iteration 97: trace = 0.0004169210653863518 (0.118318% change)
linmin: converged after 2 iterations.
- iteration 98: trace = 0.0004168953516526212 (0.00616772% change)
+ iteration 98: trace = 0.000416895351652614 (0.00616772% change)
large trace change predicted (0.194111%)
linmin: converged after 4 iterations.
- iteration 99: trace = 0.0004160835439875339 (0.194917% change)
+ iteration 99: trace = 0.0004160835439875391 (0.194917% change)
linmin: converged after 2 iterations.
- iteration 100: trace = 0.0004159547361828121 (0.030962% change)
+ iteration 100: trace = 0.0004159547361826709 (0.030962% change)
linmin: converged after 2 iterations.
- iteration 101: trace = 0.0004157198047668405 (0.056496% change)
+ iteration 101: trace = 0.0004157198047668428 (0.056496% change)
linmin: converged after 2 iterations.
- iteration 102: trace = 0.0004156861673654086 (0.00809169% change)
+ iteration 102: trace = 0.0004156861673653842 (0.00809169% change)
large trace change predicted (0.161367%)
linmin: converged after 3 iterations.
- iteration 103: trace = 0.0004150157701166531 (0.161405% change)
+ iteration 103: trace = 0.0004150157701166503 (0.161405% change)
linmin: converged after 2 iterations.
- iteration 104: trace = 0.0004149907929756343 (0.00601854% change)
+ iteration 104: trace = 0.0004149907929756055 (0.00601854% change)
large trace change predicted (0.0549512%)
linmin: converged after 3 iterations.
- iteration 105: trace = 0.0004147628363877602 (0.0549456% change)
+ iteration 105: trace = 0.0004147628363877637 (0.0549456% change)
linmin: converged after 2 iterations.
- iteration 106: trace = 0.0004147394189410975 (0.00564614% change)
+ iteration 106: trace = 0.00041473941894106 (0.00564614% change)
large trace change predicted (0.0338928%)
linmin: converged after 3 iterations.
- iteration 107: trace = 0.0004145988939496256 (0.0338885% change)
+ iteration 107: trace = 0.000414598893949622 (0.0338885% change)
linmin: converged after 2 iterations.
- iteration 108: trace = 0.0004145923269926584 (0.00158394% change)
+ iteration 108: trace = 0.0004145923269926535 (0.00158394% change)
large trace change predicted (0.0368808%)
linmin: converged after 3 iterations.
- iteration 109: trace = 0.0004144394960417955 (0.0368697% change)
+ iteration 109: trace = 0.0004144394960417982 (0.0368697% change)
linmin: converged after 3 iterations.
- iteration 110: trace = 0.0004143662526703303 (0.0176744% change)
+ iteration 110: trace = 0.0004143662526703229 (0.0176744% change)
linmin: converged after 3 iterations.
- iteration 111: trace = 0.0004143003725873115 (0.0159003% change)
+ iteration 111: trace = 0.0004143003725873108 (0.0159003% change)
linmin: converged after 2 iterations.
- iteration 112: trace = 0.0004142972990297622 (0.00074187% change)
+ iteration 112: trace = 0.0004142972990297597 (0.00074187% change)
large trace change predicted (0.0409684%)
linmin: converged after 3 iterations.
- iteration 113: trace = 0.0004141279401301865 (0.0408869% change)
+ iteration 113: trace = 0.000414127940130185 (0.0408869% change)
linmin: converged after 2 iterations.
- iteration 114: trace = 0.0004141257884175344 (0.000519578% change)
+ iteration 114: trace = 0.0004141257884175342 (0.000519578% change)
large trace change predicted (0.00468265%)
linmin: converged after 3 iterations.
- iteration 115: trace = 0.0004141063987730476 (0.00468218% change)
+ iteration 115: trace = 0.0004141063987730488 (0.00468218% change)
linmin: converged after 2 iterations.
- iteration 116: trace = 0.0004141042374139381 (0.000521935% change)
+ iteration 116: trace = 0.0004141042374139382 (0.000521935% change)
large trace change predicted (0.0181301%)
linmin: converged after 2 iterations.
- iteration 117: trace = 0.000414029149370798 (0.0181343% change)
+ iteration 117: trace = 0.0004140291493707971 (0.0181343% change)
linmin: converged after 2 iterations.
- iteration 118: trace = 0.0004140277758762922 (0.000331739% change)
+ iteration 118: trace = 0.0004140277758762924 (0.000331739% change)
large trace change predicted (0.00913413%)
linmin: converged after 2 iterations.
- iteration 119: trace = 0.0004139899444001901 (0.00913784% change)
+ iteration 119: trace = 0.0004139899444001971 (0.00913784% change)
linmin: converged after 2 iterations.
- iteration 120: trace = 0.0004139873451097992 (0.000627865% change)
+ iteration 120: trace = 0.0004139873451098017 (0.000627865% change)
large trace change predicted (0.00364927%)
linmin: converged after 2 iterations.
- iteration 121: trace = 0.0004139722345276474 (0.00365008% change)
+ iteration 121: trace = 0.0004139722345276518 (0.00365008% change)
linmin: converged after 2 iterations.
- iteration 122: trace = 0.0004139689704135286 (0.000788489% change)
+ iteration 122: trace = 0.0004139689704135331 (0.000788489% change)
large trace change predicted (0.00587122%)
linmin: converged after 2 iterations.
- iteration 123: trace = 0.000413944655586168 (0.00587376% change)
+ iteration 123: trace = 0.0004139446555861704 (0.00587376% change)
linmin: converged after 2 iterations.
- iteration 124: trace = 0.000413944237192082 (0.000101075% change)
+ iteration 124: trace = 0.0004139442371920818 (0.000101075% change)
large trace change predicted (0.000893311%)
linmin: converged after 2 iterations.
- iteration 125: trace = 0.0004139405390532732 (0.000893395% change)
+ iteration 125: trace = 0.0004139405390532763 (0.000893395% change)
linmin: converged after 2 iterations.
- iteration 126: trace = 0.0004139381541982378 (0.000576136% change)
+ iteration 126: trace = 0.0004139381541982404 (0.000576136% change)
linmin: converged after 2 iterations.
- iteration 127: trace = 0.0004139350539611391 (0.000748964% change)
+ iteration 127: trace = 0.0004139350539611409 (0.000748964% change)
linmin: converged after 2 iterations.
- iteration 128: trace = 0.0004139349273143458 (3.05958e-05% change)
+ iteration 128: trace = 0.0004139349273143466 (3.05958e-05% change)
large trace change predicted (0.000511258%)
linmin: converged after 2 iterations.
- iteration 129: trace = 0.0004139328107957841 (0.000511318% change)
+ iteration 129: trace = 0.0004139328107957864 (0.000511318% change)
linmin: converged after 2 iterations.
- iteration 130: trace = 0.0004139318232555446 (0.000238575% change)
+ iteration 130: trace = 0.0004139318232555436 (0.000238575% change)
linmin: converged after 2 iterations.
- iteration 131: trace = 0.0004139304983430083 (0.00032008% change)
+ iteration 131: trace = 0.0004139304983430069 (0.00032008% change)
linmin: converged after 2 iterations.
- iteration 132: trace = 0.0004139304263365201 (1.73958e-05% change)
+ iteration 132: trace = 0.000413930426336523 (1.73958e-05% change)
large trace change predicted (0.000339426%)
linmin: converged after 2 iterations.
- iteration 133: trace = 0.0004139290212292437 (0.000339456% change)
+ iteration 133: trace = 0.000413929021229246 (0.000339456% change)
linmin: converged after 2 iterations.
- iteration 134: trace = 0.0004139288694255449 (3.66739e-05% change)
+ iteration 134: trace = 0.000413928869425541 (3.66739e-05% change)
large trace change predicted (0.000224736%)
linmin: converged after 2 iterations.
- iteration 135: trace = 0.0004139279391458783 (0.000224744% change)
+ iteration 135: trace = 0.0004139279391458814 (0.000224744% change)
linmin: converged after 2 iterations.
- iteration 136: trace = 0.0004139270056164049 (0.00022553% change)
+ iteration 136: trace = 0.0004139270056164055 (0.00022553% change)
linmin: converged after 2 iterations.
- iteration 137: trace = 0.0004139264559420514 (0.000132795% change)
+ iteration 137: trace = 0.0004139264559420506 (0.000132795% change)
linmin: converged after 2 iterations.
- iteration 138: trace = 0.0004139264207779513 (8.49525e-06% change)
+ iteration 138: trace = 0.0004139264207779527 (8.49525e-06% change)
large trace change predicted (7.61595e-05%)
linmin: converged after 2 iterations.
- iteration 139: trace = 0.0004139261055340439 (7.61594e-05% change)
+ iteration 139: trace = 0.0004139261055340373 (7.61594e-05% change)
resetting CG direction...
linmin: converged after 2 iterations.
- iteration 140: trace = 0.0004139258681095789 (5.73592e-05% change)
+ iteration 140: trace = 0.0004139258681095767 (5.73592e-05% change)
linmin: converged after 2 iterations.
- iteration 141: trace = 0.0004139258431681121 (6.02559e-06% change)
+ iteration 141: trace = 0.0004139258431681084 (6.02559e-06% change)
large trace change predicted (7.23448e-05%)
linmin: converged after 2 iterations.
- iteration 142: trace = 0.0004139255437176716 (7.2344e-05% change)
+ iteration 142: trace = 0.0004139255437176683 (7.2344e-05% change)
linmin: converged after 2 iterations.
- iteration 143: trace = 0.0004139249894461593 (0.000133906% change)
+ iteration 143: trace = 0.0004139249894461562 (0.000133906% change)
linmin: converged after 2 iterations.
- iteration 144: trace = 0.0004139249792129126 (2.47225e-06% change)
+ iteration 144: trace = 0.0004139249792129146 (2.47225e-06% change)
large trace change predicted (7.06562e-05%)
linmin: converged after 2 iterations.
- iteration 145: trace = 0.0004139246867595031 (7.06537e-05% change)
+ iteration 145: trace = 0.0004139246867594979 (7.06538e-05% change)
linmin: converged after 2 iterations.
- iteration 146: trace = 0.000413924518254658 (4.07091e-05% change)
+ iteration 146: trace = 0.0004139245182543499 (4.07091e-05% change)
linmin: converged after 2 iterations.
- iteration 147: trace = 0.0004139244454850266 (1.75804e-05% change)
+ iteration 147: trace = 0.0004139244454850215 (1.75803e-05% change)
linmin: converged after 2 iterations.
- iteration 148: trace = 0.0004139244240452606 (5.17963e-06% change)
+ iteration 148: trace = 0.0004139244240451057 (5.17967e-06% change)
large trace change predicted (4.81328e-05%)
linmin: converged after 2 iterations.
- iteration 149: trace = 0.0004139242248160028 (4.81318e-05% change)
+ iteration 149: trace = 0.0004139242248159992 (4.81318e-05% change)
linmin: converged after 2 iterations.
- iteration 150: trace = 0.0004139240693342984 (3.75628e-05% change)
+ iteration 150: trace = 0.0004139240693342946 (3.75628e-05% change)
linmin: converged after 2 iterations.
- iteration 151: trace = 0.0004139239641619481 (2.54086e-05% change)
+ iteration 151: trace = 0.0004139239641619101 (2.54086e-05% change)
linmin: converged after 2 iterations.
- iteration 152: trace = 0.0004139239522114494 (2.88712e-06% change)
- large trace change predicted (2.7665e-05%)
+ iteration 152: trace = 0.0004139239522114461 (2.88712e-06% change)
+ large trace change predicted (2.76653e-05%)
linmin: converged after 2 iterations.
- iteration 153: trace = 0.0004139238376993716 (2.7665e-05% change)
+ iteration 153: trace = 0.0004139238376982467 (2.76653e-05% change)
linmin: converged after 2 iterations.
- iteration 154: trace = 0.0004139237782389006 (1.43651e-05% change)
+ iteration 154: trace = 0.0004139237782389009 (1.43648e-05% change)
linmin: converged after 2 iterations.
- iteration 155: trace = 0.0004139236861952543 (2.22369e-05% change)
+ iteration 155: trace = 0.0004139236861952396 (2.22369e-05% change)
linmin: converged after 2 iterations.
- iteration 156: trace = 0.0004139236797092934 (1.56695e-06% change)
+ iteration 156: trace = 0.0004139236797092943 (1.56694e-06% change)
large trace change predicted (1.2381e-05%)
linmin: converged after 2 iterations.
- iteration 157: trace = 0.0004139236284611265 (1.23811e-05% change)
+ iteration 157: trace = 0.0004139236284611274 (1.23811e-05% change)
linmin: converged after 2 iterations.
- iteration 158: trace = 0.0004139236190766696 (2.2672e-06% change)
+ iteration 158: trace = 0.0004139236190765908 (2.26721e-06% change)
linmin: converged after 2 iterations.
- iteration 159: trace = 0.0004139236165391864 (6.13032e-07% change)
+ iteration 159: trace = 0.0004139236165391871 (6.13013e-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: 1.8572313785552979
-total elapsed time for run: 1.8716239929199219
+elapsed time for k point: 8.268392324447632
+total elapsed time for run: 8.317556858062744
done
Initializing eigensolver data
Computing 1 bands with 1e-08 tolerance
@@ -67067,7 +67066,7 @@
Initializing fields to random numbers...
1 k-points
Vector3<0.5, 0.5, 0.0>
-elapsed time for initialization: 0.012998104095458984
+elapsed time for initialization: 0.024448156356811523
solve_kpoint (0.5,0.5,0):
tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1
Solving for bands 1 to 1...
@@ -67204,245 +67203,245 @@
iteration 58: trace = 0.00104513236917925 (1.91429% change)
large trace change predicted (5.01463%)
linmin: converged after 3 iterations.
- iteration 59: trace = 0.0009893701135198281 (5.48166% change)
+ iteration 59: trace = 0.0009893701135198292 (5.48166% change)
linmin: converged after 4 iterations.
- iteration 60: trace = 0.0009134884190754318 (7.97555% change)
+ iteration 60: trace = 0.0009134884190754299 (7.97555% change)
linmin: converged after 3 iterations.
- iteration 61: trace = 0.0008747574426590745 (4.33173% change)
+ iteration 61: trace = 0.0008747574426590694 (4.33173% change)
linmin: converged after 4 iterations.
- iteration 62: trace = 0.000858354469847565 (1.89289% change)
+ iteration 62: trace = 0.000858354469847563 (1.89289% change)
linmin: converged after 4 iterations.
- iteration 63: trace = 0.0008424113301520901 (1.87482% change)
+ iteration 63: trace = 0.0008424113301520909 (1.87482% change)
linmin: converged after 3 iterations.
- iteration 64: trace = 0.0008152380191264982 (3.27854% change)
+ iteration 64: trace = 0.0008152380191264975 (3.27854% change)
linmin: converged after 3 iterations.
- iteration 65: trace = 0.0007878477209784786 (3.4172% change)
+ iteration 65: trace = 0.0007878477209784779 (3.4172% change)
linmin: converged after 4 iterations.
- iteration 66: trace = 0.0007745627297707628 (1.70058% change)
+ iteration 66: trace = 0.0007745627297707618 (1.70058% change)
linmin: converged after 4 iterations.
- iteration 67: trace = 0.0007672194415439306 (0.952571% change)
+ iteration 67: trace = 0.0007672194415439325 (0.952571% change)
linmin: converged after 4 iterations.
- iteration 68: trace = 0.0007562123534745159 (1.44504% change)
+ iteration 68: trace = 0.0007562123534745165 (1.44504% change)
large trace change predicted (3.45965%)
linmin: converged after 3 iterations.
- iteration 69: trace = 0.0007292232463818434 (3.63383% change)
+ iteration 69: trace = 0.0007292232463818413 (3.63383% change)
resetting CG direction...
linmin: converged after 3 iterations.
- iteration 70: trace = 0.000720171878879658 (1.24899% change)
+ iteration 70: trace = 0.0007201718788796592 (1.24899% change)
large trace change predicted (5.3862%)
linmin: converged after 3 iterations.
- iteration 71: trace = 0.0006820040470914096 (5.44409% change)
+ iteration 71: trace = 0.0006820040470914168 (5.44409% change)
linmin: converged after 3 iterations.
- iteration 72: trace = 0.0006742704060955606 (1.14042% change)
+ iteration 72: trace = 0.0006742704060955676 (1.14042% change)
large trace change predicted (28.309%)
linmin: converged after 4 iterations.
- iteration 73: trace = 0.0005003027005619296 (29.6223% change)
+ iteration 73: trace = 0.0005003027005612641 (29.6223% change)
linmin: converged after 3 iterations.
- iteration 74: trace = 0.000490365838401777 (2.00609% change)
+ iteration 74: trace = 0.0004903658384017742 (2.00609% change)
large trace change predicted (6.19981%)
linmin: converged after 4 iterations.
- iteration 75: trace = 0.0004599272329149868 (6.40615% change)
+ iteration 75: trace = 0.0004599272329149532 (6.40615% change)
linmin: converged after 3 iterations.
- iteration 76: trace = 0.0004555356683804556 (0.959419% change)
+ iteration 76: trace = 0.0004555356683804523 (0.959419% change)
linmin: converged after 3 iterations.
- iteration 77: trace = 0.00045493958832287 (0.130938% change)
+ iteration 77: trace = 0.0004549395883227713 (0.130938% change)
large trace change predicted (0.67778%)
linmin: converged after 3 iterations.
- iteration 78: trace = 0.0004518602134421153 (0.679174% change)
+ iteration 78: trace = 0.0004518602134421152 (0.679174% change)
linmin: converged after 3 iterations.
- iteration 79: trace = 0.0004469389689300242 (1.09507% change)
+ iteration 79: trace = 0.0004469389689295624 (1.09507% change)
linmin: converged after 3 iterations.
- iteration 80: trace = 0.0004430305347445143 (0.87833% change)
+ iteration 80: trace = 0.0004430305347444902 (0.87833% change)
linmin: converged after 3 iterations.
- iteration 81: trace = 0.0004426074253562628 (0.0955491% change)
+ iteration 81: trace = 0.000442607425356213 (0.0955491% change)
large trace change predicted (1.38401%)
linmin: converged after 3 iterations.
- iteration 82: trace = 0.0004365008052143844 (1.38928% change)
+ iteration 82: trace = 0.0004365008052143807 (1.38928% change)
linmin: converged after 2 iterations.
- iteration 83: trace = 0.0004357919435503435 (0.162528% change)
+ iteration 83: trace = 0.0004357919435499626 (0.162528% change)
large trace change predicted (0.763752%)
linmin: converged after 4 iterations.
- iteration 84: trace = 0.0004324623297514738 (0.766967% change)
+ iteration 84: trace = 0.0004324623297514571 (0.766967% change)
linmin: converged after 2 iterations.
- iteration 85: trace = 0.000432289073001036 (0.0400709% change)
+ iteration 85: trace = 0.0004322890730010333 (0.0400709% change)
large trace change predicted (1.24372%)
linmin: converged after 4 iterations.
- iteration 86: trace = 0.0004268775609673482 (1.25971% change)
+ iteration 86: trace = 0.0004268775609671831 (1.25971% change)
linmin: converged after 2 iterations.
- iteration 87: trace = 0.000426488620218929 (0.0911545% change)
+ iteration 87: trace = 0.000426488620218934 (0.0911545% change)
large trace change predicted (0.708716%)
linmin: converged after 4 iterations.
- iteration 88: trace = 0.0004234535788968569 (0.714176% change)
+ iteration 88: trace = 0.0004234535788968159 (0.714176% change)
linmin: converged after 2 iterations.
- iteration 89: trace = 0.0004232426024739949 (0.0498352% change)
+ iteration 89: trace = 0.0004232426024739935 (0.0498352% change)
large trace change predicted (0.349643%)
linmin: converged after 4 iterations.
- iteration 90: trace = 0.0004217579218241389 (0.351403% change)
+ iteration 90: trace = 0.0004217579218232346 (0.351403% change)
linmin: converged after 4 iterations.
- iteration 91: trace = 0.0004207658759738874 (0.235494% change)
+ iteration 91: trace = 0.0004207658759738886 (0.235494% change)
linmin: converged after 4 iterations.
- iteration 92: trace = 0.0004196438065784965 (0.267029% change)
+ iteration 92: trace = 0.000419643806578354 (0.267029% change)
linmin: converged after 4 iterations.
- iteration 93: trace = 0.0004186306125287541 (0.241733% change)
+ iteration 93: trace = 0.0004186306125287615 (0.241733% change)
linmin: converged after 2 iterations.
- iteration 94: trace = 0.0004184953846839999 (0.0323076% change)
+ iteration 94: trace = 0.0004184953846838694 (0.0323076% change)
large trace change predicted (0.125504%)
linmin: converged after 4 iterations.
- iteration 95: trace = 0.0004179692102346515 (0.125809% change)
+ iteration 95: trace = 0.0004179692102346542 (0.125809% change)
linmin: converged after 4 iterations.
- iteration 96: trace = 0.0004174146485235401 (0.132768% change)
+ iteration 96: trace = 0.0004174146485233506 (0.132768% change)
linmin: converged after 4 iterations.
- iteration 97: trace = 0.0004169210653863607 (0.118318% change)
+ iteration 97: trace = 0.0004169210653863518 (0.118318% change)
linmin: converged after 2 iterations.
- iteration 98: trace = 0.0004168953516526212 (0.00616772% change)
+ iteration 98: trace = 0.000416895351652614 (0.00616772% change)
large trace change predicted (0.194111%)
linmin: converged after 4 iterations.
- iteration 99: trace = 0.0004160835439875339 (0.194917% change)
+ iteration 99: trace = 0.0004160835439875391 (0.194917% change)
linmin: converged after 2 iterations.
- iteration 100: trace = 0.0004159547361828121 (0.030962% change)
+ iteration 100: trace = 0.0004159547361826709 (0.030962% change)
linmin: converged after 2 iterations.
- iteration 101: trace = 0.0004157198047668405 (0.056496% change)
+ iteration 101: trace = 0.0004157198047668428 (0.056496% change)
linmin: converged after 2 iterations.
- iteration 102: trace = 0.0004156861673654086 (0.00809169% change)
+ iteration 102: trace = 0.0004156861673653842 (0.00809169% change)
large trace change predicted (0.161367%)
linmin: converged after 3 iterations.
- iteration 103: trace = 0.0004150157701166531 (0.161405% change)
+ iteration 103: trace = 0.0004150157701166503 (0.161405% change)
linmin: converged after 2 iterations.
- iteration 104: trace = 0.0004149907929756343 (0.00601854% change)
+ iteration 104: trace = 0.0004149907929756055 (0.00601854% change)
large trace change predicted (0.0549512%)
linmin: converged after 3 iterations.
- iteration 105: trace = 0.0004147628363877602 (0.0549456% change)
+ iteration 105: trace = 0.0004147628363877637 (0.0549456% change)
linmin: converged after 2 iterations.
- iteration 106: trace = 0.0004147394189410975 (0.00564614% change)
+ iteration 106: trace = 0.00041473941894106 (0.00564614% change)
large trace change predicted (0.0338928%)
linmin: converged after 3 iterations.
- iteration 107: trace = 0.0004145988939496256 (0.0338885% change)
+ iteration 107: trace = 0.000414598893949622 (0.0338885% change)
linmin: converged after 2 iterations.
- iteration 108: trace = 0.0004145923269926584 (0.00158394% change)
+ iteration 108: trace = 0.0004145923269926535 (0.00158394% change)
large trace change predicted (0.0368808%)
linmin: converged after 3 iterations.
- iteration 109: trace = 0.0004144394960417955 (0.0368697% change)
+ iteration 109: trace = 0.0004144394960417982 (0.0368697% change)
linmin: converged after 3 iterations.
- iteration 110: trace = 0.0004143662526703303 (0.0176744% change)
+ iteration 110: trace = 0.0004143662526703229 (0.0176744% change)
linmin: converged after 3 iterations.
- iteration 111: trace = 0.0004143003725873115 (0.0159003% change)
+ iteration 111: trace = 0.0004143003725873108 (0.0159003% change)
linmin: converged after 2 iterations.
- iteration 112: trace = 0.0004142972990297622 (0.00074187% change)
+ iteration 112: trace = 0.0004142972990297597 (0.00074187% change)
large trace change predicted (0.0409684%)
linmin: converged after 3 iterations.
- iteration 113: trace = 0.0004141279401301865 (0.0408869% change)
+ iteration 113: trace = 0.000414127940130185 (0.0408869% change)
linmin: converged after 2 iterations.
- iteration 114: trace = 0.0004141257884175344 (0.000519578% change)
+ iteration 114: trace = 0.0004141257884175342 (0.000519578% change)
large trace change predicted (0.00468265%)
linmin: converged after 3 iterations.
- iteration 115: trace = 0.0004141063987730476 (0.00468218% change)
+ iteration 115: trace = 0.0004141063987730488 (0.00468218% change)
linmin: converged after 2 iterations.
- iteration 116: trace = 0.0004141042374139381 (0.000521935% change)
+ iteration 116: trace = 0.0004141042374139382 (0.000521935% change)
large trace change predicted (0.0181301%)
linmin: converged after 2 iterations.
- iteration 117: trace = 0.000414029149370798 (0.0181343% change)
+ iteration 117: trace = 0.0004140291493707971 (0.0181343% change)
linmin: converged after 2 iterations.
- iteration 118: trace = 0.0004140277758762922 (0.000331739% change)
+ iteration 118: trace = 0.0004140277758762924 (0.000331739% change)
large trace change predicted (0.00913413%)
linmin: converged after 2 iterations.
- iteration 119: trace = 0.0004139899444001901 (0.00913784% change)
+ iteration 119: trace = 0.0004139899444001971 (0.00913784% change)
linmin: converged after 2 iterations.
- iteration 120: trace = 0.0004139873451097992 (0.000627865% change)
+ iteration 120: trace = 0.0004139873451098017 (0.000627865% change)
large trace change predicted (0.00364927%)
linmin: converged after 2 iterations.
- iteration 121: trace = 0.0004139722345276474 (0.00365008% change)
+ iteration 121: trace = 0.0004139722345276518 (0.00365008% change)
linmin: converged after 2 iterations.
- iteration 122: trace = 0.0004139689704135286 (0.000788489% change)
+ iteration 122: trace = 0.0004139689704135331 (0.000788489% change)
large trace change predicted (0.00587122%)
linmin: converged after 2 iterations.
- iteration 123: trace = 0.000413944655586168 (0.00587376% change)
+ iteration 123: trace = 0.0004139446555861704 (0.00587376% change)
linmin: converged after 2 iterations.
- iteration 124: trace = 0.000413944237192082 (0.000101075% change)
+ iteration 124: trace = 0.0004139442371920818 (0.000101075% change)
large trace change predicted (0.000893311%)
linmin: converged after 2 iterations.
- iteration 125: trace = 0.0004139405390532732 (0.000893395% change)
+ iteration 125: trace = 0.0004139405390532763 (0.000893395% change)
linmin: converged after 2 iterations.
- iteration 126: trace = 0.0004139381541982378 (0.000576136% change)
+ iteration 126: trace = 0.0004139381541982404 (0.000576136% change)
linmin: converged after 2 iterations.
- iteration 127: trace = 0.0004139350539611391 (0.000748964% change)
+ iteration 127: trace = 0.0004139350539611409 (0.000748964% change)
linmin: converged after 2 iterations.
- iteration 128: trace = 0.0004139349273143458 (3.05958e-05% change)
+ iteration 128: trace = 0.0004139349273143466 (3.05958e-05% change)
large trace change predicted (0.000511258%)
linmin: converged after 2 iterations.
- iteration 129: trace = 0.0004139328107957841 (0.000511318% change)
+ iteration 129: trace = 0.0004139328107957864 (0.000511318% change)
linmin: converged after 2 iterations.
- iteration 130: trace = 0.0004139318232555446 (0.000238575% change)
+ iteration 130: trace = 0.0004139318232555436 (0.000238575% change)
linmin: converged after 2 iterations.
- iteration 131: trace = 0.0004139304983430083 (0.00032008% change)
+ iteration 131: trace = 0.0004139304983430069 (0.00032008% change)
linmin: converged after 2 iterations.
- iteration 132: trace = 0.0004139304263365201 (1.73958e-05% change)
+ iteration 132: trace = 0.000413930426336523 (1.73958e-05% change)
large trace change predicted (0.000339426%)
linmin: converged after 2 iterations.
- iteration 133: trace = 0.0004139290212292437 (0.000339456% change)
+ iteration 133: trace = 0.000413929021229246 (0.000339456% change)
linmin: converged after 2 iterations.
- iteration 134: trace = 0.0004139288694255449 (3.66739e-05% change)
+ iteration 134: trace = 0.000413928869425541 (3.66739e-05% change)
large trace change predicted (0.000224736%)
linmin: converged after 2 iterations.
- iteration 135: trace = 0.0004139279391458783 (0.000224744% change)
+ iteration 135: trace = 0.0004139279391458814 (0.000224744% change)
linmin: converged after 2 iterations.
- iteration 136: trace = 0.0004139270056164049 (0.00022553% change)
+ iteration 136: trace = 0.0004139270056164055 (0.00022553% change)
linmin: converged after 2 iterations.
- iteration 137: trace = 0.0004139264559420514 (0.000132795% change)
+ iteration 137: trace = 0.0004139264559420506 (0.000132795% change)
linmin: converged after 2 iterations.
- iteration 138: trace = 0.0004139264207779513 (8.49525e-06% change)
+ iteration 138: trace = 0.0004139264207779527 (8.49525e-06% change)
large trace change predicted (7.61595e-05%)
linmin: converged after 2 iterations.
- iteration 139: trace = 0.0004139261055340439 (7.61594e-05% change)
+ iteration 139: trace = 0.0004139261055340373 (7.61594e-05% change)
resetting CG direction...
linmin: converged after 2 iterations.
- iteration 140: trace = 0.0004139258681095789 (5.73592e-05% change)
+ iteration 140: trace = 0.0004139258681095767 (5.73592e-05% change)
linmin: converged after 2 iterations.
- iteration 141: trace = 0.0004139258431681121 (6.02559e-06% change)
+ iteration 141: trace = 0.0004139258431681084 (6.02559e-06% change)
large trace change predicted (7.23448e-05%)
linmin: converged after 2 iterations.
- iteration 142: trace = 0.0004139255437176716 (7.2344e-05% change)
+ iteration 142: trace = 0.0004139255437176683 (7.2344e-05% change)
linmin: converged after 2 iterations.
- iteration 143: trace = 0.0004139249894461593 (0.000133906% change)
+ iteration 143: trace = 0.0004139249894461562 (0.000133906% change)
linmin: converged after 2 iterations.
- iteration 144: trace = 0.0004139249792129126 (2.47225e-06% change)
+ iteration 144: trace = 0.0004139249792129146 (2.47225e-06% change)
large trace change predicted (7.06562e-05%)
linmin: converged after 2 iterations.
- iteration 145: trace = 0.0004139246867595031 (7.06537e-05% change)
+ iteration 145: trace = 0.0004139246867594979 (7.06538e-05% change)
linmin: converged after 2 iterations.
- iteration 146: trace = 0.000413924518254658 (4.07091e-05% change)
+ iteration 146: trace = 0.0004139245182543499 (4.07091e-05% change)
linmin: converged after 2 iterations.
- iteration 147: trace = 0.0004139244454850266 (1.75804e-05% change)
+ iteration 147: trace = 0.0004139244454850215 (1.75803e-05% change)
linmin: converged after 2 iterations.
- iteration 148: trace = 0.0004139244240452606 (5.17963e-06% change)
+ iteration 148: trace = 0.0004139244240451057 (5.17967e-06% change)
large trace change predicted (4.81328e-05%)
linmin: converged after 2 iterations.
- iteration 149: trace = 0.0004139242248160028 (4.81318e-05% change)
+ iteration 149: trace = 0.0004139242248159992 (4.81318e-05% change)
linmin: converged after 2 iterations.
- iteration 150: trace = 0.0004139240693342984 (3.75628e-05% change)
+ iteration 150: trace = 0.0004139240693342946 (3.75628e-05% change)
linmin: converged after 2 iterations.
- iteration 151: trace = 0.0004139239641619481 (2.54086e-05% change)
+ iteration 151: trace = 0.0004139239641619101 (2.54086e-05% change)
linmin: converged after 2 iterations.
- iteration 152: trace = 0.0004139239522114494 (2.88712e-06% change)
- large trace change predicted (2.7665e-05%)
+ iteration 152: trace = 0.0004139239522114461 (2.88712e-06% change)
+ large trace change predicted (2.76653e-05%)
linmin: converged after 2 iterations.
- iteration 153: trace = 0.0004139238376993716 (2.7665e-05% change)
+ iteration 153: trace = 0.0004139238376982467 (2.76653e-05% change)
linmin: converged after 2 iterations.
- iteration 154: trace = 0.0004139237782389006 (1.43651e-05% change)
+ iteration 154: trace = 0.0004139237782389009 (1.43648e-05% change)
linmin: converged after 2 iterations.
- iteration 155: trace = 0.0004139236861952543 (2.22369e-05% change)
+ iteration 155: trace = 0.0004139236861952396 (2.22369e-05% change)
linmin: converged after 2 iterations.
- iteration 156: trace = 0.0004139236797092934 (1.56695e-06% change)
+ iteration 156: trace = 0.0004139236797092943 (1.56694e-06% change)
large trace change predicted (1.2381e-05%)
linmin: converged after 2 iterations.
- iteration 157: trace = 0.0004139236284611265 (1.23811e-05% change)
+ iteration 157: trace = 0.0004139236284611274 (1.23811e-05% change)
linmin: converged after 2 iterations.
- iteration 158: trace = 0.0004139236190766696 (2.2672e-06% change)
+ iteration 158: trace = 0.0004139236190765908 (2.26721e-06% change)
linmin: converged after 2 iterations.
- iteration 159: trace = 0.0004139236165391864 (6.13032e-07% change)
+ iteration 159: trace = 0.0004139236165391871 (6.13013e-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: 2.0637335777282715
-total elapsed time for run: 2.0769007205963135
+elapsed time for k point: 4.700574159622192
+total elapsed time for run: 4.725223779678345
done
Initializing eigensolver data
Computing 1 bands with 1e-08 tolerance
@@ -67522,7 +67521,7 @@
Initializing fields to random numbers...
1 k-points
Vector3<0.5, 0.5, 0.0>
-elapsed time for initialization: 0.026056766510009766
+elapsed time for initialization: 0.047678232192993164
solve_kpoint (0.5,0.5,0):
tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1
Solving for bands 1 to 1...
@@ -67967,8 +67966,8 @@
iteration 187: trace = 0.001795102514608241 (4.93553e-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: 3.1079084873199463
-total elapsed time for run: 3.134099245071411
+elapsed time for k point: 7.826050519943237
+total elapsed time for run: 7.873985528945923
done
Initializing eigensolver data
Computing 1 bands with 1e-08 tolerance
@@ -68048,7 +68047,7 @@
Initializing fields to random numbers...
1 k-points
Vector3<0.5, 0.5, 0.0>
-elapsed time for initialization: 0.029860734939575195
+elapsed time for initialization: 0.03512978553771973
solve_kpoint (0.5,0.5,0):
tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1
Solving for bands 1 to 1...
@@ -68381,8 +68380,8 @@
iteration 144: trace = 0.0009724596426331909 (7.79284e-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: 2.0286593437194824
-total elapsed time for run: 2.0586583614349365
+elapsed time for k point: 5.67038369178772
+total elapsed time for run: 5.7056756019592285
done
Initializing eigensolver data
Computing 1 bands with 1e-08 tolerance
@@ -68462,309 +68461,309 @@
Initializing fields to random numbers...
1 k-points
Vector3<0.5, 0.5, 0.0>
-elapsed time for initialization: 0.013619184494018555
+elapsed time for initialization: 0.03768110275268555
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 = 0.01396244070952 (199.998% change)
+ iteration 1: trace = 0.01396244070952001 (199.998% change)
linmin: converged after 7 iterations.
- iteration 2: trace = 0.01327734802514248 (5.03009% change)
+ iteration 2: trace = 0.01327734802514242 (5.03009% change)
linmin: converged after 6 iterations.
- iteration 3: trace = 0.0131293893823858 (1.12061% change)
+ iteration 3: trace = 0.01312938938238878 (1.12061% change)
near maximum in trace
linmin: converged after 7 iterations.
- iteration 4: trace = 0.01143971570355348 (13.7545% change)
+ iteration 4: trace = 0.01143971570304361 (13.7545% change)
linmin: converged after 8 iterations.
- iteration 5: trace = 0.01056618625955219 (7.93905% change)
+ iteration 5: trace = 0.0105661862593834 (7.93905% change)
linmin: converged after 6 iterations.
- iteration 6: trace = 0.01008942352510294 (4.6163% change)
+ iteration 6: trace = 0.01008942352517646 (4.6163% change)
linmin: converged after 6 iterations.
- iteration 7: trace = 0.009853432413979776 (2.36667% change)
+ iteration 7: trace = 0.009853432414314828 (2.36667% change)
linmin: converged after 9 iterations.
- iteration 8: trace = 0.008796447371257093 (11.335% change)
+ iteration 8: trace = 0.00879644737201061 (11.335% change)
linmin: converged after 6 iterations.
- iteration 9: trace = 0.008458573891971312 (3.91623% change)
+ iteration 9: trace = 0.008458573892327015 (3.91623% change)
linmin: converged after 5 iterations.
- iteration 10: trace = 0.008228863764865695 (2.75309% change)
+ iteration 10: trace = 0.008228863765741978 (2.75309% change)
large trace change predicted (6.26136%)
linmin: converged after 8 iterations.
- iteration 11: trace = 0.006959104851833582 (16.7206% change)
+ iteration 11: trace = 0.006959104853007302 (16.7206% change)
linmin: converged after 5 iterations.
- iteration 12: trace = 0.006731675902091234 (3.32237% change)
+ iteration 12: trace = 0.006731675903006996 (3.32237% change)
linmin: converged after 5 iterations.
- iteration 13: trace = 0.006525014650039604 (3.11784% change)
+ iteration 13: trace = 0.006525014650750336 (3.11784% change)
linmin: converged after 8 iterations.
- iteration 14: trace = 0.005693152944034019 (13.6168% change)
+ iteration 14: trace = 0.005693152944302004 (13.6168% change)
linmin: converged after 5 iterations.
- iteration 15: trace = 0.005504795126198728 (3.36415% change)
+ iteration 15: trace = 0.005504795126336618 (3.36415% change)
linmin: converged after 5 iterations.
- iteration 16: trace = 0.005182224286211165 (6.03668% change)
+ iteration 16: trace = 0.005182224286438158 (6.03668% change)
linmin: converged after 6 iterations.
- iteration 17: trace = 0.004410551313957203 (16.0886% change)
+ iteration 17: trace = 0.0044105513144986 (16.0886% change)
linmin: converged after 4 iterations.
- iteration 18: trace = 0.004283910857964777 (2.91313% change)
+ iteration 18: trace = 0.004283910858601568 (2.91313% change)
linmin: converged after 4 iterations.
- iteration 19: trace = 0.004224603983516382 (1.39406% change)
+ iteration 19: trace = 0.004224603984099812 (1.39406% change)
large trace change predicted (9.32565%)
linmin: converged after 6 iterations.
- iteration 20: trace = 0.003556460288217489 (17.1736% change)
+ iteration 20: trace = 0.003556460288349742 (17.1736% change)
linmin: converged after 6 iterations.
- iteration 21: trace = 0.003124334182198492 (12.9364% change)
+ iteration 21: trace = 0.003124334182308876 (12.9364% change)
linmin: converged after 3 iterations.
- iteration 22: trace = 0.003069228500164921 (1.77945% change)
+ iteration 22: trace = 0.003069228500307204 (1.77945% change)
large trace change predicted (3.71325%)
linmin: converged after 5 iterations.
- iteration 23: trace = 0.002934336282977529 (4.49374% change)
+ iteration 23: trace = 0.002934336283155909 (4.49374% change)
linmin: converged after 6 iterations.
- iteration 24: trace = 0.002642331733109301 (10.4724% change)
+ iteration 24: trace = 0.002642331733349835 (10.4724% change)
linmin: converged after 4 iterations.
- iteration 25: trace = 0.002571579567296367 (2.71398% change)
+ iteration 25: trace = 0.002571579567560927 (2.71398% change)
linmin: converged after 3 iterations.
- iteration 26: trace = 0.002533478244822608 (1.49269% change)
+ iteration 26: trace = 0.002533478245051361 (1.49269% change)
large trace change predicted (7.65005%)
linmin: converged after 5 iterations.
- iteration 27: trace = 0.002278678035550776 (10.5899% change)
+ iteration 27: trace = 0.002278678035451331 (10.5899% change)
linmin: converged after 6 iterations.
- iteration 28: trace = 0.001883039953470738 (19.0132% change)
+ iteration 28: trace = 0.001883039953371402 (19.0132% change)
linmin: converged after 4 iterations.
- iteration 29: trace = 0.001791571188514256 (4.97842% change)
+ iteration 29: trace = 0.001791571188527097 (4.97842% change)
linmin: converged after 3 iterations.
- iteration 30: trace = 0.001767270133717624 (1.36567% change)
+ iteration 30: trace = 0.001767270133760926 (1.36567% change)
large trace change predicted (3.86857%)
linmin: converged after 4 iterations.
- iteration 31: trace = 0.001692171162079923 (4.34168% change)
+ iteration 31: trace = 0.00169217116213239 (4.34168% change)
linmin: converged after 5 iterations.
- iteration 32: trace = 0.001555831949295193 (8.39526% change)
+ iteration 32: trace = 0.001555831949242743 (8.39526% change)
linmin: converged after 3 iterations.
- iteration 33: trace = 0.001511411252322982 (2.89646% change)
+ iteration 33: trace = 0.001511411252227819 (2.89646% change)
linmin: converged after 3 iterations.
- iteration 34: trace = 0.001486905418586345 (1.63464% change)
+ iteration 34: trace = 0.001486905418488265 (1.63464% change)
large trace change predicted (5.92327%)
linmin: converged after 4 iterations.
- iteration 35: trace = 0.001387435430383476 (6.92124% change)
+ iteration 35: trace = 0.001387435430266622 (6.92124% change)
linmin: converged after 5 iterations.
- iteration 36: trace = 0.001194026459233489 (14.9845% change)
+ iteration 36: trace = 0.001194026458912932 (14.9845% change)
linmin: converged after 4 iterations.
- iteration 37: trace = 0.001122562343185326 (6.16977% change)
+ iteration 37: trace = 0.001122562342795258 (6.16977% change)
linmin: converged after 3 iterations.
- iteration 38: trace = 0.001099956477416706 (2.03426% change)
+ iteration 38: trace = 0.001099956477072608 (2.03426% change)
linmin: converged after 3 iterations.
- iteration 39: trace = 0.001059182240507967 (3.7769% change)
+ iteration 39: trace = 0.00105918224033337 (3.7769% change)
linmin: converged after 4 iterations.
- iteration 40: trace = 0.0009866837678978412 (7.08731% change)
+ iteration 40: trace = 0.0009866837678476393 (7.08731% change)
linmin: converged after 3 iterations.
- iteration 41: trace = 0.0009558629208429826 (3.17324% change)
+ iteration 41: trace = 0.0009558629207720003 (3.17324% change)
linmin: converged after 4 iterations.
- iteration 42: trace = 0.0009452267884322843 (1.11895% change)
+ iteration 42: trace = 0.0009452267883513073 (1.11895% change)
linmin: converged after 3 iterations.
- iteration 43: trace = 0.0009243211032308202 (2.23644% change)
+ iteration 43: trace = 0.0009243211031386557 (2.23644% change)
large trace change predicted (6.26126%)
linmin: converged after 4 iterations.
- iteration 44: trace = 0.0008615593031014585 (7.02867% change)
+ iteration 44: trace = 0.0008615593030195791 (7.02867% change)
linmin: converged after 3 iterations.
- iteration 45: trace = 0.0008134176826396069 (5.74833% change)
+ iteration 45: trace = 0.0008134176826142257 (5.74833% change)
linmin: converged after 4 iterations.
- iteration 46: trace = 0.0007986283255416237 (1.83486% change)
+ iteration 46: trace = 0.0007986283255294427 (1.83486% change)
linmin: converged after 4 iterations.
- iteration 47: trace = 0.0007852627945719087 (1.68768% change)
+ iteration 47: trace = 0.0007852627945361737 (1.68768% change)
large trace change predicted (4.77797%)
linmin: converged after 3 iterations.
- iteration 48: trace = 0.0007461125163351396 (5.11309% change)
+ iteration 48: trace = 0.0007461125162184888 (5.11309% change)
linmin: converged after 3 iterations.
- iteration 49: trace = 0.0006970945357448248 (6.79292% change)
+ iteration 49: trace = 0.0006970945356581758 (6.79292% change)
linmin: converged after 4 iterations.
- iteration 50: trace = 0.0006808926183553205 (2.35153% change)
+ iteration 50: trace = 0.000680892618314573 (2.35153% change)
linmin: converged after 4 iterations.
- iteration 51: trace = 0.0006752932687859413 (0.82575% change)
+ iteration 51: trace = 0.0006752932687554085 (0.82575% change)
linmin: converged after 4 iterations.
- iteration 52: trace = 0.0006660950936463082 (1.37144% change)
+ iteration 52: trace = 0.0006660950936085674 (1.37144% change)
large trace change predicted (3.11166%)
linmin: converged after 3 iterations.
- iteration 53: trace = 0.0006448656203004086 (3.23877% change)
+ iteration 53: trace = 0.0006448656202478612 (3.23877% change)
linmin: converged after 4 iterations.
- iteration 54: trace = 0.0006304610544456774 (2.25896% change)
+ iteration 54: trace = 0.0006304610544060703 (2.25896% change)
linmin: converged after 4 iterations.
- iteration 55: trace = 0.0006258397561783084 (0.735699% change)
+ iteration 55: trace = 0.0006258397561453801 (0.735699% change)
linmin: converged after 4 iterations.
- iteration 56: trace = 0.0006213724158638193 (0.716372% change)
+ iteration 56: trace = 0.0006213724158296615 (0.716372% change)
large trace change predicted (2.22111%)
linmin: converged after 4 iterations.
- iteration 57: trace = 0.0006073554439271515 (2.28154% change)
+ iteration 57: trace = 0.0006073554438713578 (2.28154% change)
linmin: converged after 3 iterations.
- iteration 58: trace = 0.000584999189852645 (3.74993% change)
+ iteration 58: trace = 0.0005849991897674963 (3.74993% change)
linmin: converged after 4 iterations.
- iteration 59: trace = 0.0005750384421320456 (1.71731% change)
+ iteration 59: trace = 0.0005750384420439861 (1.71731% change)
linmin: converged after 4 iterations.
- iteration 60: trace = 0.0005705355312929826 (0.786141% change)
+ iteration 60: trace = 0.0005705355312084113 (0.786141% change)
linmin: converged after 4 iterations.
- iteration 61: trace = 0.0005627759095208225 (1.36937% change)
+ iteration 61: trace = 0.000562775909447368 (1.36937% change)
linmin: converged after 4 iterations.
- iteration 62: trace = 0.0005488357745383402 (2.50809% change)
+ iteration 62: trace = 0.0005488357744973057 (2.50809% change)
linmin: converged after 4 iterations.
- iteration 63: trace = 0.0005415218646077653 (1.34156% change)
+ iteration 63: trace = 0.0005415218645897253 (1.34156% change)
linmin: converged after 4 iterations.
- iteration 64: trace = 0.0005394069954724528 (0.391306% change)
+ iteration 64: trace = 0.0005394069954582029 (0.391306% change)
linmin: converged after 4 iterations.
- iteration 65: trace = 0.0005374974140712973 (0.354643% change)
+ iteration 65: trace = 0.0005374974140522867 (0.354643% change)
large trace change predicted (1.05234%)
linmin: converged after 4 iterations.
- iteration 66: trace = 0.0005318034221285828 (1.06499% change)
+ iteration 66: trace = 0.0005318034220926464 (1.06499% change)
linmin: converged after 4 iterations.
- iteration 67: trace = 0.0005225513688545946 (1.75502% change)
+ iteration 67: trace = 0.0005225513688305628 (1.75502% change)
linmin: converged after 4 iterations.
- iteration 68: trace = 0.0005182232127305461 (0.831718% change)
+ iteration 68: trace = 0.0005182232127259536 (0.831718% change)
linmin: converged after 4 iterations.
- iteration 69: trace = 0.0005162072680208836 (0.389769% change)
+ iteration 69: trace = 0.0005162072680176623 (0.389769% change)
resetting CG direction...
linmin: converged after 3 iterations.
- iteration 70: trace = 0.0005155092907333682 (0.135304% change)
+ iteration 70: trace = 0.0005155092907289642 (0.135304% change)
large trace change predicted (0.688124%)
linmin: converged after 3 iterations.
- iteration 71: trace = 0.0005119637368370328 (0.69015% change)
+ iteration 71: trace = 0.0005119637368328733 (0.69015% change)
linmin: converged after 2 iterations.
- iteration 72: trace = 0.000511608216276014 (0.0694666% change)
+ iteration 72: trace = 0.0005116082162739982 (0.0694666% change)
large trace change predicted (2.65047%)
linmin: converged after 3 iterations.
- iteration 73: trace = 0.0004980720955581589 (2.68127% change)
+ iteration 73: trace = 0.0004980720955543454 (2.68127% change)
linmin: converged after 2 iterations.
- iteration 74: trace = 0.0004962593830389853 (0.364609% change)
+ iteration 74: trace = 0.0004962593830382443 (0.364609% change)
large trace change predicted (4.18178%)
linmin: converged after 3 iterations.
- iteration 75: trace = 0.0004755685305169946 (4.25813% change)
+ iteration 75: trace = 0.0004755685305139867 (4.25813% change)
linmin: converged after 4 iterations.
- iteration 76: trace = 0.0004613074630958849 (3.04439% change)
+ iteration 76: trace = 0.0004613074630933708 (3.04439% change)
linmin: converged after 3 iterations.
- iteration 77: trace = 0.0004610867968616982 (0.0478464% change)
+ iteration 77: trace = 0.0004610867968600356 (0.0478464% change)
large trace change predicted (0.213803%)
linmin: converged after 3 iterations.
- iteration 78: trace = 0.0004601018611165299 (0.21384% change)
+ iteration 78: trace = 0.0004601018611141185 (0.21384% change)
large trace change predicted (1.00026%)
linmin: converged after 3 iterations.
- iteration 79: trace = 0.0004555175354524354 (1.00136% change)
+ iteration 79: trace = 0.000455517535446558 (1.00136% change)
linmin: converged after 3 iterations.
- iteration 80: trace = 0.0004514547054383692 (0.895911% change)
+ iteration 80: trace = 0.0004514547054348013 (0.895911% change)
linmin: converged after 3 iterations.
- iteration 81: trace = 0.0004512636246070159 (0.0423345% change)
+ iteration 81: trace = 0.0004512636246026654 (0.0423345% change)
large trace change predicted (0.206391%)
linmin: converged after 3 iterations.
- iteration 82: trace = 0.0004503349945087943 (0.205996% change)
+ iteration 82: trace = 0.0004503349945079216 (0.205996% change)
linmin: converged after 3 iterations.
- iteration 83: trace = 0.0004501374789180884 (0.0438693% change)
+ iteration 83: trace = 0.0004501374789161126 (0.0438693% change)
large trace change predicted (0.562754%)
linmin: converged after 3 iterations.
- iteration 84: trace = 0.0004476360710491528 (0.557247% change)
+ iteration 84: trace = 0.0004476360710489421 (0.557247% change)
linmin: converged after 3 iterations.
- iteration 85: trace = 0.0004475864327812387 (0.0110896% change)
+ iteration 85: trace = 0.0004475864327809164 (0.0110896% change)
large trace change predicted (0.12546%)
linmin: converged after 3 iterations.
- iteration 86: trace = 0.0004470257239678319 (0.125352% change)
+ iteration 86: trace = 0.0004470257239679656 (0.125352% change)
linmin: converged after 2 iterations.
- iteration 87: trace = 0.0004469825667574598 (0.00965477% change)
+ iteration 87: trace = 0.000446982566757198 (0.00965477% change)
large trace change predicted (0.115451%)
linmin: converged after 2 iterations.
- iteration 88: trace = 0.0004464661248477418 (0.115606% change)
+ iteration 88: trace = 0.0004464661248476459 (0.115606% change)
linmin: converged after 2 iterations.
- iteration 89: trace = 0.0004464504551906056 (0.00350977% change)
+ iteration 89: trace = 0.0004464504551904783 (0.00350977% change)
large trace change predicted (0.177837%)
linmin: converged after 4 iterations.
- iteration 90: trace = 0.0004456538746356611 (0.178585% change)
+ iteration 90: trace = 0.000445653874635074 (0.178585% change)
linmin: converged after 2 iterations.
- iteration 91: trace = 0.0004456257171318294 (0.00631844% change)
+ iteration 91: trace = 0.0004456257171310337 (0.00631844% change)
large trace change predicted (0.074741%)
linmin: converged after 4 iterations.
- iteration 92: trace = 0.0004452924589956872 (0.0748123% change)
+ iteration 92: trace = 0.0004452924589946991 (0.0748123% change)
linmin: converged after 2 iterations.
- iteration 93: trace = 0.0004452687856061341 (0.00531651% change)
+ iteration 93: trace = 0.0004452687856051591 (0.00531651% change)
large trace change predicted (0.113007%)
linmin: converged after 3 iterations.
- iteration 94: trace = 0.0004447657260542244 (0.113043% change)
+ iteration 94: trace = 0.0004447657260541854 (0.113043% change)
linmin: converged after 2 iterations.
- iteration 95: trace = 0.0004447267673611256 (0.00875976% change)
+ iteration 95: trace = 0.0004447267673626513 (0.00875976% change)
large trace change predicted (0.105917%)
linmin: converged after 2 iterations.
- iteration 96: trace = 0.0004442556986457235 (0.105979% change)
+ iteration 96: trace = 0.0004442556986459031 (0.105979% change)
linmin: converged after 2 iterations.
- iteration 97: trace = 0.0004442455806051777 (0.00227755% change)
+ iteration 97: trace = 0.0004442455806050875 (0.00227755% change)
large trace change predicted (0.0817138%)
linmin: converged after 3 iterations.
- iteration 98: trace = 0.0004438810888303385 (0.082081% change)
+ iteration 98: trace = 0.0004438810888302759 (0.082081% change)
linmin: converged after 2 iterations.
- iteration 99: trace = 0.0004438500905857432 (0.0069837% change)
+ iteration 99: trace = 0.0004438500905870567 (0.0069837% change)
large trace change predicted (0.0240443%)
linmin: converged after 2 iterations.
- iteration 100: trace = 0.0004437432255006679 (0.0240797% change)
+ iteration 100: trace = 0.000443743225500739 (0.0240797% change)
linmin: converged after 2 iterations.
- iteration 101: trace = 0.0004437391651983482 (0.000915016% change)
+ iteration 101: trace = 0.0004437391651983485 (0.000915016% change)
large trace change predicted (0.0185711%)
linmin: converged after 2 iterations.
- iteration 102: trace = 0.000443656704665559 (0.0185848% change)
+ iteration 102: trace = 0.0004436567046655403 (0.0185848% change)
linmin: converged after 2 iterations.
- iteration 103: trace = 0.0004436180975620899 (0.0087024% change)
+ iteration 103: trace = 0.0004436180975635375 (0.0087024% change)
linmin: converged after 2 iterations.
- iteration 104: trace = 0.000443596595424909 (0.00484711% change)
+ iteration 104: trace = 0.000443596595424942 (0.00484711% change)
linmin: converged after 2 iterations.
- iteration 105: trace = 0.0004435901010882656 (0.00146403% change)
+ iteration 105: trace = 0.0004435901010888418 (0.00146403% change)
large trace change predicted (0.0143213%)
linmin: converged after 3 iterations.
- iteration 106: trace = 0.0004435266121585284 (0.0143135% change)
+ iteration 106: trace = 0.000443526612158538 (0.0143135% change)
linmin: converged after 3 iterations.
- iteration 107: trace = 0.0004434983515570951 (0.006372% change)
+ iteration 107: trace = 0.0004434983515584871 (0.006372% change)
linmin: converged after 3 iterations.
- iteration 108: trace = 0.0004434761005167245 (0.00501729% change)
+ iteration 108: trace = 0.00044347610051672 (0.00501729% change)
linmin: converged after 2 iterations.
- iteration 109: trace = 0.0004434714731012338 (0.00104345% change)
+ iteration 109: trace = 0.0004434714731017632 (0.00104345% change)
large trace change predicted (0.00742987%)
linmin: converged after 2 iterations.
- iteration 110: trace = 0.0004434385151230344 (0.00743209% change)
+ iteration 110: trace = 0.0004434385151230384 (0.00743209% change)
linmin: converged after 2 iterations.
- iteration 111: trace = 0.0004434252055763201 (0.00300149% change)
+ iteration 111: trace = 0.0004434252055768146 (0.00300149% change)
linmin: converged after 2 iterations.
- iteration 112: trace = 0.0004434206868132256 (0.00101906% change)
+ iteration 112: trace = 0.0004434206868132168 (0.00101906% change)
linmin: converged after 2 iterations.
- iteration 113: trace = 0.0004434136924350159 (0.00157738% change)
+ iteration 113: trace = 0.0004434136924359412 (0.00157738% change)
linmin: converged after 2 iterations.
- iteration 114: trace = 0.0004434078981872072 (0.00130674% change)
+ iteration 114: trace = 0.0004434078981872004 (0.00130675% change)
linmin: converged after 2 iterations.
- iteration 115: trace = 0.0004434060803079899 (0.00040998% change)
+ iteration 115: trace = 0.0004434060803082016 (0.00040998% change)
linmin: converged after 2 iterations.
- iteration 116: trace = 0.0004434035864054671 (0.000562444% change)
+ iteration 116: trace = 0.0004434035864054641 (0.000562444% change)
linmin: converged after 2 iterations.
- iteration 117: trace = 0.0004433997721778282 (0.000860219% change)
+ iteration 117: trace = 0.0004433997721779338 (0.000860219% change)
linmin: converged after 2 iterations.
- iteration 118: trace = 0.0004433993922834515 (8.56777e-05% change)
+ iteration 118: trace = 0.0004433993922834479 (8.56777e-05% change)
large trace change predicted (0.000765319%)
linmin: converged after 2 iterations.
- iteration 119: trace = 0.0004433959989790834 (0.000765296% change)
+ iteration 119: trace = 0.0004433959989794154 (0.000765296% change)
linmin: converged after 2 iterations.
- iteration 120: trace = 0.0004433937107530678 (0.00051607% change)
+ iteration 120: trace = 0.0004433937107530648 (0.00051607% change)
linmin: converged after 2 iterations.
- iteration 121: trace = 0.0004433925552247387 (0.00026061% change)
+ iteration 121: trace = 0.0004433925552247438 (0.00026061% change)
linmin: converged after 2 iterations.
- iteration 122: trace = 0.0004433924380077601 (2.64364e-05% change)
+ iteration 122: trace = 0.0004433924380077825 (2.64364e-05% change)
large trace change predicted (0.000654702%)
linmin: converged after 2 iterations.
- iteration 123: trace = 0.0004433895351566106 (0.000654693% change)
+ iteration 123: trace = 0.0004433895351568387 (0.000654693% change)
linmin: converged after 2 iterations.
- iteration 124: trace = 0.0004433889271465956 (0.000137128% change)
+ iteration 124: trace = 0.0004433889271465965 (0.000137128% change)
linmin: converged after 2 iterations.
- iteration 125: trace = 0.0004433880632293131 (0.000194844% change)
+ iteration 125: trace = 0.0004433880632293187 (0.000194844% change)
linmin: converged after 2 iterations.
- iteration 126: trace = 0.0004433880312280502 (7.21744e-06% change)
+ iteration 126: trace = 0.000443388031228047 (7.21744e-06% change)
large trace change predicted (9.11993e-05%)
linmin: converged after 2 iterations.
- iteration 127: trace = 0.0004433876268650312 (9.11985e-05% change)
+ iteration 127: trace = 0.0004433876268651143 (9.11985e-05% change)
linmin: converged after 2 iterations.
- iteration 128: trace = 0.0004433874490725963 (4.00987e-05% change)
+ iteration 128: trace = 0.0004433874490725925 (4.00987e-05% change)
linmin: converged after 2 iterations.
- iteration 129: trace = 0.0004433873033573288 (3.28641e-05% change)
+ iteration 129: trace = 0.0004433873033573263 (3.28641e-05% change)
linmin: converged after 2 iterations.
- iteration 130: trace = 0.0004433872992476687 (9.26878e-07% change)
+ iteration 130: trace = 0.0004433872992476704 (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: 1.7970466613769531
-total elapsed time for run: 1.8108036518096924
+elapsed time for k point: 4.214576005935669
+total elapsed time for run: 4.252428293228149
done
Initializing eigensolver data
Computing 1 bands with 1e-08 tolerance
@@ -68844,7 +68843,7 @@
Initializing fields to random numbers...
1 k-points
Vector3<0.5, 0.5, 0.0>
-elapsed time for initialization: 0.031500816345214844
+elapsed time for initialization: 0.024069786071777344
solve_kpoint (0.5,0.5,0):
tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1
Solving for bands 1 to 1...
@@ -68854,333 +68853,333 @@
linmin: converged after 7 iterations.
iteration 2: trace = 0.01327582341516153 (5.0468% change)
linmin: converged after 5 iterations.
- iteration 3: trace = 0.01313921802708361 (1.0343% change)
+ iteration 3: trace = 0.01313921802708362 (1.0343% change)
near maximum in trace
linmin: converged after 6 iterations.
- iteration 4: trace = 0.01142281205553266 (13.9761% change)
+ iteration 4: trace = 0.01142281205553351 (13.9761% change)
linmin: converged after 8 iterations.
- iteration 5: trace = 0.01058525607493082 (7.61135% change)
+ iteration 5: trace = 0.01058525607493297 (7.61135% change)
linmin: converged after 6 iterations.
- iteration 6: trace = 0.01015898370443547 (4.10979% change)
+ iteration 6: trace = 0.0101589837044347 (4.10979% change)
linmin: converged after 6 iterations.
- iteration 7: trace = 0.009918237309330053 (2.3982% change)
+ iteration 7: trace = 0.009918237309329864 (2.3982% change)
linmin: converged after 8 iterations.
- iteration 8: trace = 0.008927971077283768 (10.5089% change)
+ iteration 8: trace = 0.00892797107728269 (10.5089% change)
linmin: converged after 6 iterations.
- iteration 9: trace = 0.008614717280225186 (3.57133% change)
+ iteration 9: trace = 0.008614717280223476 (3.57133% change)
linmin: converged after 4 iterations.
- iteration 10: trace = 0.008466233313486501 (1.73859% change)
+ iteration 10: trace = 0.008466233313485243 (1.73859% change)
large trace change predicted (5.78164%)
linmin: converged after 8 iterations.
- iteration 11: trace = 0.007282511329332547 (15.0326% change)
+ iteration 11: trace = 0.007282511329325394 (15.0326% change)
linmin: converged after 5 iterations.
- iteration 12: trace = 0.007044999189450767 (3.31547% change)
+ iteration 12: trace = 0.007044999189471032 (3.31547% change)
linmin: converged after 5 iterations.
- iteration 13: trace = 0.006874592947690497 (2.44844% change)
+ iteration 13: trace = 0.006874592947715286 (2.44844% change)
linmin: converged after 8 iterations.
- iteration 14: trace = 0.006133148163447735 (11.4001% change)
+ iteration 14: trace = 0.006133148163368856 (11.4001% change)
linmin: converged after 5 iterations.
- iteration 15: trace = 0.005961549769472903 (2.83758% change)
+ iteration 15: trace = 0.005961549769357523 (2.83758% change)
linmin: converged after 5 iterations.
- iteration 16: trace = 0.005645565245604592 (5.44467% change)
+ iteration 16: trace = 0.005645565245526819 (5.44467% change)
linmin: converged after 5 iterations.
- iteration 17: trace = 0.004830936611878811 (15.5515% change)
+ iteration 17: trace = 0.004830936611883179 (15.5515% change)
linmin: converged after 4 iterations.
- iteration 18: trace = 0.004686994044893297 (3.02466% change)
+ iteration 18: trace = 0.004686994044926179 (3.02466% change)
linmin: converged after 3 iterations.
- iteration 19: trace = 0.004633898350157841 (1.13928% change)
+ iteration 19: trace = 0.004633898350181182 (1.13928% change)
large trace change predicted (8.32154%)
linmin: converged after 6 iterations.
- iteration 20: trace = 0.003985702634746582 (15.04% change)
+ iteration 20: trace = 0.003985702634698927 (15.04% change)
linmin: converged after 6 iterations.
- iteration 21: trace = 0.003535474708253777 (11.9723% change)
+ iteration 21: trace = 0.003535474708241069 (11.9723% change)
linmin: converged after 3 iterations.
- iteration 22: trace = 0.003476369469704832 (1.68587% change)
+ iteration 22: trace = 0.003476369469699929 (1.68587% change)
linmin: converged after 5 iterations.
- iteration 23: trace = 0.003338185922505572 (4.05554% change)
+ iteration 23: trace = 0.00333818592248314 (4.05554% change)
linmin: converged after 6 iterations.
- iteration 24: trace = 0.003040239886136103 (9.34231% change)
+ iteration 24: trace = 0.003040239886137003 (9.34231% change)
linmin: converged after 4 iterations.
- iteration 25: trace = 0.002968314177918705 (2.39411% change)
+ iteration 25: trace = 0.002968314177935729 (2.39411% change)
linmin: converged after 3 iterations.
- iteration 26: trace = 0.002929179324685609 (1.32717% change)
+ iteration 26: trace = 0.002929179324696153 (1.32717% change)
large trace change predicted (6.73473%)
linmin: converged after 5 iterations.
- iteration 27: trace = 0.002665163221273504 (9.43868% change)
+ iteration 27: trace = 0.002665163221220175 (9.43868% change)
linmin: converged after 6 iterations.
- iteration 28: trace = 0.002263716107366163 (16.2896% change)
+ iteration 28: trace = 0.002263716107325872 (16.2896% change)
linmin: converged after 4 iterations.
- iteration 29: trace = 0.002168934509122882 (4.27652% change)
+ iteration 29: trace = 0.00216893450910269 (4.27652% change)
linmin: converged after 3 iterations.
- iteration 30: trace = 0.002140776398965061 (1.30673% change)
+ iteration 30: trace = 0.002140776398946851 (1.30673% change)
large trace change predicted (3.62381%)
linmin: converged after 4 iterations.
- iteration 31: trace = 0.002054832936099284 (4.09683% change)
+ iteration 31: trace = 0.002054832936078479 (4.09683% change)
linmin: converged after 4 iterations.
- iteration 32: trace = 0.001928675147047012 (6.334% change)
+ iteration 32: trace = 0.001928675147038835 (6.334% change)
linmin: converged after 3 iterations.
- iteration 33: trace = 0.001891060683030569 (1.96948% change)
+ iteration 33: trace = 0.001891060683027584 (1.96948% change)
linmin: converged after 3 iterations.
- iteration 34: trace = 0.001863419993311022 (1.47241% change)
+ iteration 34: trace = 0.001863419993304216 (1.47241% change)
large trace change predicted (5.5606%)
linmin: converged after 5 iterations.
- iteration 35: trace = 0.001742904242548188 (6.68358% change)
+ iteration 35: trace = 0.001742904242518234 (6.68358% change)
linmin: converged after 5 iterations.
- iteration 36: trace = 0.001553603641508177 (11.4849% change)
+ iteration 36: trace = 0.001553603641478992 (11.4849% change)
linmin: converged after 4 iterations.
- iteration 37: trace = 0.001490518358344507 (4.14473% change)
+ iteration 37: trace = 0.001490518358322988 (4.14473% change)
linmin: converged after 3 iterations.
- iteration 38: trace = 0.001465056863323182 (1.72295% change)
+ iteration 38: trace = 0.001465056863302722 (1.72295% change)
large trace change predicted (3.54511%)
linmin: converged after 4 iterations.
- iteration 39: trace = 0.001409511515989721 (3.8646% change)
+ iteration 39: trace = 0.001409511515969067 (3.8646% change)
linmin: converged after 4 iterations.
- iteration 40: trace = 0.001324643606828225 (6.20798% change)
+ iteration 40: trace = 0.001324643606815046 (6.20798% change)
linmin: converged after 3 iterations.
- iteration 41: trace = 0.001293109867285795 (2.40922% change)
+ iteration 41: trace = 0.001293109867277146 (2.40922% change)
linmin: converged after 4 iterations.
- iteration 42: trace = 0.001281892836859725 (0.871225% change)
+ iteration 42: trace = 0.001281892836851446 (0.871225% change)
linmin: converged after 3 iterations.
- iteration 43: trace = 0.001258915302646228 (1.80868% change)
+ iteration 43: trace = 0.001258915302635903 (1.80868% change)
large trace change predicted (4.91517%)
linmin: converged after 4 iterations.
- iteration 44: trace = 0.001191045275704825 (5.5405% change)
+ iteration 44: trace = 0.001191045275692942 (5.5405% change)
linmin: converged after 4 iterations.
- iteration 45: trace = 0.001138499727051532 (4.51123% change)
+ iteration 45: trace = 0.001138499727044202 (4.51123% change)
linmin: converged after 3 iterations.
- iteration 46: trace = 0.00112217005827625 (1.44468% change)
+ iteration 46: trace = 0.001122170058270399 (1.44468% change)
linmin: converged after 4 iterations.
- iteration 47: trace = 0.00110859569902975 (1.21701% change)
+ iteration 47: trace = 0.001108595699023488 (1.21701% change)
large trace change predicted (3.33729%)
linmin: converged after 3 iterations.
- iteration 48: trace = 0.001069901372108893 (3.55239% change)
+ iteration 48: trace = 0.00106990137210023 (3.55239% change)
linmin: converged after 3 iterations.
- iteration 49: trace = 0.001014621259085611 (5.30386% change)
+ iteration 49: trace = 0.001014621259077012 (5.30386% change)
linmin: converged after 3 iterations.
- iteration 50: trace = 0.0009931819911355253 (2.13559% change)
+ iteration 50: trace = 0.0009931819911279671 (2.13559% change)
linmin: converged after 4 iterations.
- iteration 51: trace = 0.0009855932451903935 (0.767014% change)
+ iteration 51: trace = 0.0009855932451830235 (0.767014% change)
linmin: converged after 4 iterations.
- iteration 52: trace = 0.0009747198763121587 (1.10935% change)
+ iteration 52: trace = 0.000974719876304833 (1.10935% change)
large trace change predicted (2.27865%)
linmin: converged after 3 iterations.
- iteration 53: trace = 0.0009518762290240061 (2.3714% change)
+ iteration 53: trace = 0.0009518762290181694 (2.3714% change)
linmin: converged after 3 iterations.
- iteration 54: trace = 0.0009362068768647573 (1.65982% change)
+ iteration 54: trace = 0.0009362068768610649 (1.65982% change)
linmin: converged after 4 iterations.
- iteration 55: trace = 0.000930962073371916 (0.561792% change)
+ iteration 55: trace = 0.0009309620733688387 (0.561792% change)
linmin: converged after 4 iterations.
- iteration 56: trace = 0.0009261399277477792 (0.519319% change)
+ iteration 56: trace = 0.0009261399277447124 (0.519319% change)
large trace change predicted (1.55474%)
linmin: converged after 4 iterations.
- iteration 57: trace = 0.0009114740520585527 (1.59619% change)
+ iteration 57: trace = 0.0009114740520546793 (1.59619% change)
linmin: converged after 3 iterations.
- iteration 58: trace = 0.0008851577234266234 (2.92952% change)
+ iteration 58: trace = 0.0008851577234215649 (2.92952% change)
linmin: converged after 4 iterations.
- iteration 59: trace = 0.000871693071466451 (1.53282% change)
+ iteration 59: trace = 0.000871693071461078 (1.53282% change)
linmin: converged after 4 iterations.
- iteration 60: trace = 0.0008661342145308695 (0.639748% change)
+ iteration 60: trace = 0.0008661342145254756 (0.639748% change)
linmin: converged after 4 iterations.
- iteration 61: trace = 0.0008582710080001816 (0.911991% change)
+ iteration 61: trace = 0.0008582710079949929 (0.911991% change)
linmin: converged after 3 iterations.
- iteration 62: trace = 0.0008422283020192667 (1.88682% change)
+ iteration 62: trace = 0.00084222830201513 (1.88682% change)
linmin: converged after 4 iterations.
- iteration 63: trace = 0.0008310961553908193 (1.33054% change)
+ iteration 63: trace = 0.0008310961553877375 (1.33054% change)
linmin: converged after 4 iterations.
- iteration 64: trace = 0.0008278256094771208 (0.394298% change)
+ iteration 64: trace = 0.0008278256094743229 (0.394298% change)
linmin: converged after 4 iterations.
- iteration 65: trace = 0.0008259581513437934 (0.225841% change)
+ iteration 65: trace = 0.0008259581513410663 (0.225841% change)
large trace change predicted (0.54409%)
linmin: converged after 4 iterations.
- iteration 66: trace = 0.0008214375661539716 (0.548816% change)
+ iteration 66: trace = 0.0008214375661512261 (0.548816% change)
large trace change predicted (1.31796%)
linmin: converged after 4 iterations.
- iteration 67: trace = 0.0008104570891788135 (1.34573% change)
+ iteration 67: trace = 0.0008104570891759209 (1.34573% change)
linmin: converged after 4 iterations.
- iteration 68: trace = 0.0008022185029169372 (1.02173% change)
+ iteration 68: trace = 0.0008022185029139933 (1.02173% change)
linmin: converged after 4 iterations.
- iteration 69: trace = 0.0007990641591574285 (0.393977% change)
+ iteration 69: trace = 0.0007990641591545313 (0.393977% change)
resetting CG direction...
linmin: converged after 3 iterations.
- iteration 70: trace = 0.0007982674272537656 (0.0997579% change)
+ iteration 70: trace = 0.000798267427250896 (0.0997579% change)
large trace change predicted (0.511106%)
linmin: converged after 3 iterations.
- iteration 71: trace = 0.000794190965401303 (0.511971% change)
+ iteration 71: trace = 0.0007941909653984683 (0.511971% change)
linmin: converged after 3 iterations.
- iteration 72: trace = 0.0007934194265299957 (0.097195% change)
+ iteration 72: trace = 0.0007934194265270598 (0.097195% change)
large trace change predicted (2.05123%)
linmin: converged after 3 iterations.
- iteration 73: trace = 0.0007771906069306927 (2.06656% change)
+ iteration 73: trace = 0.0007771906069316093 (2.06656% change)
linmin: converged after 3 iterations.
- iteration 74: trace = 0.0007749505868584082 (0.288636% change)
+ iteration 74: trace = 0.0007749505868597712 (0.288636% change)
large trace change predicted (3.32417%)
linmin: converged after 3 iterations.
- iteration 75: trace = 0.0007492994743112499 (3.36574% change)
+ iteration 75: trace = 0.0007492994743128429 (3.36574% change)
linmin: converged after 4 iterations.
- iteration 76: trace = 0.0007303048045869264 (2.56753% change)
+ iteration 76: trace = 0.0007303048045879829 (2.56753% change)
linmin: converged after 2 iterations.
- iteration 77: trace = 0.0007296260899939187 (0.092979% change)
+ iteration 77: trace = 0.0007296260899938505 (0.092979% change)
linmin: converged after 3 iterations.
- iteration 78: trace = 0.000728644102354961 (0.134678% change)
+ iteration 78: trace = 0.0007286441023556302 (0.134678% change)
large trace change predicted (0.558198%)
linmin: converged after 3 iterations.
- iteration 79: trace = 0.0007245873406317841 (0.558309% change)
+ iteration 79: trace = 0.0007245873406325023 (0.558309% change)
linmin: converged after 3 iterations.
- iteration 80: trace = 0.000718077187500906 (0.902518% change)
+ iteration 80: trace = 0.0007180771875012872 (0.902518% change)
linmin: converged after 3 iterations.
- iteration 81: trace = 0.0007177753846879655 (0.0420381% change)
+ iteration 81: trace = 0.0007177753846878525 (0.0420381% change)
large trace change predicted (0.226857%)
linmin: converged after 3 iterations.
- iteration 82: trace = 0.0007161515296068739 (0.226491% change)
+ iteration 82: trace = 0.0007161515296069531 (0.226491% change)
linmin: converged after 3 iterations.
- iteration 83: trace = 0.0007160330404422598 (0.0165466% change)
+ iteration 83: trace = 0.0007160330404420501 (0.0165466% change)
large trace change predicted (0.465216%)
linmin: converged after 3 iterations.
- iteration 84: trace = 0.0007127367071703376 (0.461423% change)
+ iteration 84: trace = 0.0007127367071705165 (0.461423% change)
linmin: converged after 3 iterations.
- iteration 85: trace = 0.000712662076958642 (0.0104715% change)
+ iteration 85: trace = 0.0007126620769586315 (0.0104715% change)
large trace change predicted (0.165499%)
linmin: converged after 3 iterations.
- iteration 86: trace = 0.0007114852716358145 (0.165265% change)
+ iteration 86: trace = 0.0007114852716353512 (0.165265% change)
linmin: converged after 2 iterations.
- iteration 87: trace = 0.0007114282832196567 (0.0080101% change)
+ iteration 87: trace = 0.0007114282832188135 (0.0080101% change)
large trace change predicted (0.095004%)
linmin: converged after 2 iterations.
- iteration 88: trace = 0.000710752335649579 (0.0950579% change)
+ iteration 88: trace = 0.0007107523356494787 (0.0950579% change)
linmin: converged after 2 iterations.
- iteration 89: trace = 0.0007107286747960747 (0.00332904% change)
+ iteration 89: trace = 0.0007107286747959787 (0.00332904% change)
large trace change predicted (0.213089%)
linmin: converged after 4 iterations.
- iteration 90: trace = 0.0007092078344343849 (0.214212% change)
+ iteration 90: trace = 0.0007092078344343416 (0.214212% change)
linmin: converged after 2 iterations.
- iteration 91: trace = 0.0007089701515805088 (0.0335195% change)
+ iteration 91: trace = 0.0007089701515770342 (0.0335195% change)
linmin: converged after 4 iterations.
- iteration 92: trace = 0.0007085829024921158 (0.0546363% change)
+ iteration 92: trace = 0.0007085829024920111 (0.0546363% change)
linmin: converged after 2 iterations.
- iteration 93: trace = 0.0007085381993797611 (0.006309% change)
+ iteration 93: trace = 0.0007085381993791572 (0.006309% change)
large trace change predicted (0.0927125%)
linmin: converged after 4 iterations.
- iteration 94: trace = 0.0007078806538428688 (0.0928462% change)
+ iteration 94: trace = 0.0007078806538428434 (0.0928462% change)
linmin: converged after 4 iterations.
- iteration 95: trace = 0.0007072074075466887 (0.0951526% change)
+ iteration 95: trace = 0.0007072074075475011 (0.0951526% change)
linmin: converged after 4 iterations.
- iteration 96: trace = 0.0007068181437309847 (0.0550575% change)
+ iteration 96: trace = 0.0007068181437308895 (0.0550575% change)
linmin: converged after 2 iterations.
- iteration 97: trace = 0.0007067093274637296 (0.0153964% change)
+ iteration 97: trace = 0.0007067093274571758 (0.0153964% change)
large trace change predicted (0.0560665%)
linmin: converged after 4 iterations.
- iteration 98: trace = 0.0007063118363022342 (0.0562612% change)
+ iteration 98: trace = 0.0007063118363022213 (0.0562612% change)
linmin: converged after 2 iterations.
- iteration 99: trace = 0.000706140318493618 (0.0242865% change)
+ iteration 99: trace = 0.0007061403184934812 (0.0242865% change)
linmin: converged after 2 iterations.
- iteration 100: trace = 0.000706095099610728 (0.00640387% change)
+ iteration 100: trace = 0.0007060950996107473 (0.00640387% change)
large trace change predicted (0.0267454%)
linmin: converged after 2 iterations.
- iteration 101: trace = 0.0007059060330946713 (0.0267799% change)
+ iteration 101: trace = 0.0007059060330952891 (0.0267799% change)
linmin: converged after 2 iterations.
- iteration 102: trace = 0.0007058881454630741 (0.00253403% change)
+ iteration 102: trace = 0.0007058881454630703 (0.00253403% change)
large trace change predicted (0.0136289%)
linmin: converged after 3 iterations.
- iteration 103: trace = 0.0007057919581192479 (0.0136274% change)
+ iteration 103: trace = 0.000705791958119235 (0.0136274% change)
linmin: converged after 3 iterations.
- iteration 104: trace = 0.0007057842514747325 (0.00109192% change)
+ iteration 104: trace = 0.0007057842514746187 (0.00109192% change)
large trace change predicted (0.0186307%)
linmin: converged after 3 iterations.
- iteration 105: trace = 0.0007056529475522372 (0.0186057% change)
+ iteration 105: trace = 0.0007056529475522983 (0.0186057% change)
linmin: converged after 2 iterations.
- iteration 106: trace = 0.000705648336961321 (0.000653382% change)
+ iteration 106: trace = 0.0007056483369617469 (0.000653381% change)
large trace change predicted (0.0148068%)
linmin: converged after 3 iterations.
- iteration 107: trace = 0.0007055439182104818 (0.0147987% change)
+ iteration 107: trace = 0.0007055439182104608 (0.0147987% change)
linmin: converged after 2 iterations.
- iteration 108: trace = 0.0007055329035974612 (0.00156116% change)
+ iteration 108: trace = 0.0007055329035967619 (0.00156116% change)
large trace change predicted (0.0110758%)
linmin: converged after 2 iterations.
- iteration 109: trace = 0.0007054546515591156 (0.0110918% change)
+ iteration 109: trace = 0.0007054546515591708 (0.0110918% change)
linmin: converged after 2 iterations.
- iteration 110: trace = 0.0007054502743522219 (0.000620482% change)
+ iteration 110: trace = 0.000705450274352933 (0.000620482% change)
large trace change predicted (0.00195447%)
linmin: converged after 2 iterations.
- iteration 111: trace = 0.0007054364838128185 (0.00195488% change)
+ iteration 111: trace = 0.0007054364838128093 (0.00195488% change)
linmin: converged after 3 iterations.
- iteration 112: trace = 0.0007054238644731049 (0.00178889% change)
+ iteration 112: trace = 0.0007054238644720394 (0.00178889% change)
linmin: converged after 3 iterations.
- iteration 113: trace = 0.0007054118291849887 (0.00170612% change)
+ iteration 113: trace = 0.0007054118291849954 (0.00170612% change)
linmin: converged after 2 iterations.
- iteration 114: trace = 0.0007054065895959976 (0.000742773% change)
+ iteration 114: trace = 0.0007054065895967991 (0.000742773% change)
linmin: converged after 2 iterations.
- iteration 115: trace = 0.0007054022952447704 (0.000608779% change)
+ iteration 115: trace = 0.000705402295244772 (0.000608779% change)
large trace change predicted (0.00136007%)
linmin: converged after 2 iterations.
- iteration 116: trace = 0.0007053927001434995 (0.00136024% change)
+ iteration 116: trace = 0.0007053927001434934 (0.00136024% change)
linmin: converged after 2 iterations.
- iteration 117: trace = 0.0007053920786220366 (8.811e-05% change)
+ iteration 117: trace = 0.0007053920786220416 (8.811e-05% change)
large trace change predicted (0.00165021%)
linmin: converged after 2 iterations.
- iteration 118: trace = 0.000705380435396726 (0.00165062% change)
+ iteration 118: trace = 0.0007053804353968566 (0.00165062% change)
linmin: converged after 2 iterations.
- iteration 119: trace = 0.0007053797879385828 (9.17885e-05% change)
+ iteration 119: trace = 0.0007053797879385811 (9.17886e-05% change)
large trace change predicted (0.000677675%)
linmin: converged after 3 iterations.
- iteration 120: trace = 0.0007053750082369695 (0.000677609% change)
+ iteration 120: trace = 0.0007053750082369959 (0.000677609% change)
linmin: converged after 2 iterations.
- iteration 121: trace = 0.0007053742080981112 (0.000113435% change)
+ iteration 121: trace = 0.000705374208098857 (0.000113434% change)
large trace change predicted (0.000715979%)
linmin: converged after 3 iterations.
- iteration 122: trace = 0.0007053691586075282 (0.000715862% change)
+ iteration 122: trace = 0.0007053691586075307 (0.000715862% change)
linmin: converged after 2 iterations.
- iteration 123: trace = 0.0007053690877136415 (1.00506e-05% change)
+ iteration 123: trace = 0.0007053690877136454 (1.00506e-05% change)
large trace change predicted (0.000338665%)
linmin: converged after 2 iterations.
- iteration 124: trace = 0.0007053666990218474 (0.000338645% change)
+ iteration 124: trace = 0.0007053666990218499 (0.000338645% change)
linmin: converged after 2 iterations.
- iteration 125: trace = 0.0007053665919394984 (1.51811e-05% change)
+ iteration 125: trace = 0.0007053665919396272 (1.51811e-05% change)
large trace change predicted (0.000210995%)
linmin: converged after 2 iterations.
- iteration 126: trace = 0.000705365103599717 (0.000211003% change)
+ iteration 126: trace = 0.0007053651035997163 (0.000211003% change)
linmin: converged after 2 iterations.
- iteration 127: trace = 0.000705365060349489 (6.13161e-06% change)
+ iteration 127: trace = 0.0007053650603494894 (6.13161e-06% change)
large trace change predicted (3.74998e-05%)
linmin: converged after 2 iterations.
- iteration 128: trace = 0.0007053647958367642 (3.75001e-05% change)
+ iteration 128: trace = 0.0007053647958367643 (3.75001e-05% change)
linmin: converged after 2 iterations.
- iteration 129: trace = 0.0007053645526031727 (3.44834e-05% change)
+ iteration 129: trace = 0.0007053645526031884 (3.44834e-05% change)
linmin: converged after 2 iterations.
- iteration 130: trace = 0.0007053644026624981 (2.12572e-05% change)
+ iteration 130: trace = 0.0007053644026624995 (2.12572e-05% change)
linmin: converged after 2 iterations.
- iteration 131: trace = 0.0007053642119763955 (2.70337e-05% change)
+ iteration 131: trace = 0.0007053642119763969 (2.70337e-05% change)
linmin: converged after 2 iterations.
- iteration 132: trace = 0.0007053641295694901 (1.16829e-05% change)
+ iteration 132: trace = 0.0007053641295694905 (1.16829e-05% change)
large trace change predicted (3.47577e-05%)
linmin: converged after 2 iterations.
- iteration 133: trace = 0.0007053638844030073 (3.47574e-05% change)
+ iteration 133: trace = 0.0007053638844030214 (3.47574e-05% change)
linmin: converged after 2 iterations.
- iteration 134: trace = 0.0007053638768681161 (1.06823e-06% change)
+ iteration 134: trace = 0.000705363876868119 (1.06823e-06% change)
large trace change predicted (6.4584e-05%)
linmin: converged after 2 iterations.
- iteration 135: trace = 0.0007053634213077343 (6.45852e-05% change)
+ iteration 135: trace = 0.0007053634213077374 (6.45852e-05% change)
linmin: converged after 2 iterations.
- iteration 136: trace = 0.0007053633820806049 (5.56127e-06% change)
+ iteration 136: trace = 0.0007053633820806043 (5.56127e-06% change)
large trace change predicted (2.17913e-05%)
linmin: converged after 2 iterations.
- iteration 137: trace = 0.0007053632283731594 (2.17912e-05% change)
+ iteration 137: trace = 0.0007053632283731598 (2.17912e-05% change)
linmin: converged after 2 iterations.
iteration 138: trace = 0.000705363220373406 (1.13413e-06% change)
large trace change predicted (1.65302e-05%)
linmin: converged after 2 iterations.
- iteration 139: trace = 0.0007053631037760427 (1.65301e-05% change)
+ iteration 139: trace = 0.0007053631037760407 (1.65301e-05% change)
resetting CG direction...
linmin: converged after 2 iterations.
- iteration 140: trace = 0.0007053630961879917 (1.07577e-06% change)
+ iteration 140: trace = 0.0007053630961879911 (1.07577e-06% change)
large trace change predicted (8.44799e-06%)
linmin: converged after 2 iterations.
- iteration 141: trace = 0.0007053630365991339 (8.44797e-06% change)
+ iteration 141: trace = 0.000705363036599132 (8.44797e-06% change)
linmin: converged after 2 iterations.
- iteration 142: trace = 0.000705363032831463 (5.34146e-07% change)
+ iteration 142: trace = 0.0007053630328314592 (5.34147e-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: 1.6782987117767334
-total elapsed time for run: 1.7099530696868896
+elapsed time for k point: 3.410320520401001
+total elapsed time for run: 3.4345881938934326
done
Initializing eigensolver data
Computing 1 bands with 1e-08 tolerance
@@ -69260,7 +69259,7 @@
Initializing fields to random numbers...
1 k-points
Vector3<0.5, 0.5, 0.0>
-elapsed time for initialization: 0.014412164688110352
+elapsed time for initialization: 0.021042585372924805
solve_kpoint (0.5,0.5,0):
tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1
Solving for bands 1 to 1...
@@ -69268,305 +69267,325 @@
linmin: converged after 7 iterations.
iteration 1: trace = 0.01396271668064178 (199.998% change)
linmin: converged after 7 iterations.
- iteration 2: trace = 0.01327684595598249 (5.03584% change)
+ iteration 2: trace = 0.01327684595598253 (5.03584% change)
linmin: converged after 5 iterations.
- iteration 3: trace = 0.01313324005125724 (1.08751% change)
+ iteration 3: trace = 0.01313324005126112 (1.08751% change)
near maximum in trace
linmin: converged after 6 iterations.
- iteration 4: trace = 0.01143110159436247 (13.8586% change)
+ iteration 4: trace = 0.01143110159363475 (13.8586% change)
linmin: converged after 8 iterations.
- iteration 5: trace = 0.01057166476739567 (7.81208% change)
+ iteration 5: trace = 0.01057166476712294 (7.81208% change)
linmin: converged after 6 iterations.
- iteration 6: trace = 0.01011480006982954 (4.41704% change)
+ iteration 6: trace = 0.01011480006992648 (4.41704% change)
linmin: converged after 6 iterations.
- iteration 7: trace = 0.009876896506772561 (2.38002% change)
+ iteration 7: trace = 0.009876896507187892 (2.38002% change)
linmin: converged after 8 iterations.
- iteration 8: trace = 0.008845869821944279 (11.0136% change)
+ iteration 8: trace = 0.008845869822923064 (11.0136% change)
linmin: converged after 6 iterations.
- iteration 9: trace = 0.008516806986723392 (3.79046% change)
+ iteration 9: trace = 0.008516806987200545 (3.79046% change)
linmin: converged after 5 iterations.
- iteration 10: trace = 0.008325902736362793 (2.26691% change)
+ iteration 10: trace = 0.008325902737333319 (2.26691% change)
large trace change predicted (6.10025%)
linmin: converged after 8 iterations.
- iteration 11: trace = 0.007074435668898778 (16.2525% change)
+ iteration 11: trace = 0.007074435670628136 (16.2525% change)
linmin: converged after 5 iterations.
- iteration 12: trace = 0.006841983819601372 (3.34068% change)
+ iteration 12: trace = 0.006841983820928351 (3.34068% change)
linmin: converged after 5 iterations.
- iteration 13: trace = 0.006643948102592079 (2.93692% change)
+ iteration 13: trace = 0.006643948104078183 (2.93692% change)
linmin: converged after 8 iterations.
- iteration 14: trace = 0.00586514291060854 (12.4518% change)
+ iteration 14: trace = 0.005865142910627932 (12.4518% change)
linmin: converged after 5 iterations.
- iteration 15: trace = 0.005690265827790274 (3.02676% change)
+ iteration 15: trace = 0.005690265827323177 (3.02676% change)
linmin: converged after 5 iterations.
- iteration 16: trace = 0.005358817859069506 (5.99956% change)
+ iteration 16: trace = 0.005358817859046534 (5.99956% change)
linmin: converged after 6 iterations.
- iteration 17: trace = 0.004559992560398251 (16.1073% change)
+ iteration 17: trace = 0.004559992561182125 (16.1073% change)
linmin: converged after 4 iterations.
- iteration 18: trace = 0.004422633266784209 (3.05833% change)
+ iteration 18: trace = 0.004422633267909758 (3.05833% change)
linmin: converged after 3 iterations.
- iteration 19: trace = 0.004367501597863202 (1.2544% change)
+ iteration 19: trace = 0.004367501598838224 (1.2544% change)
large trace change predicted (8.81855%)
linmin: converged after 6 iterations.
- iteration 20: trace = 0.003725260304068634 (15.872% change)
+ iteration 20: trace = 0.003725260303643653 (15.872% change)
linmin: converged after 6 iterations.
- iteration 21: trace = 0.003275912354748756 (12.8364% change)
+ iteration 21: trace = 0.003275912354827932 (12.8364% change)
linmin: converged after 3 iterations.
- iteration 22: trace = 0.003217291914038384 (1.80559% change)
+ iteration 22: trace = 0.00321729191426386 (1.80559% change)
linmin: converged after 5 iterations.
- iteration 23: trace = 0.00308932284200158 (4.05825% change)
+ iteration 23: trace = 0.003089322841901015 (4.05825% change)
linmin: converged after 6 iterations.
- iteration 24: trace = 0.002788506789923117 (10.2356% change)
+ iteration 24: trace = 0.002788506790121337 (10.2356% change)
linmin: converged after 4 iterations.
- iteration 25: trace = 0.002710327275611987 (2.84349% change)
+ iteration 25: trace = 0.002710327276137733 (2.84349% change)
linmin: converged after 3 iterations.
- iteration 26: trace = 0.002673641017994111 (1.3628% change)
+ iteration 26: trace = 0.002673641018410782 (1.3628% change)
large trace change predicted (6.80645%)
linmin: converged after 5 iterations.
- iteration 27: trace = 0.00243839982068261 (9.20342% change)
+ iteration 27: trace = 0.002438399819800866 (9.20342% change)
linmin: converged after 6 iterations.
- iteration 28: trace = 0.002033628118501227 (18.1024% change)
+ iteration 28: trace = 0.002033628117893882 (18.1024% change)
linmin: converged after 4 iterations.
- iteration 29: trace = 0.001932625575621425 (5.0931% change)
+ iteration 29: trace = 0.001932625575540724 (5.0931% change)
linmin: converged after 3 iterations.
- iteration 30: trace = 0.00190744712172359 (1.31135% change)
+ iteration 30: trace = 0.001907447121682367 (1.31135% change)
large trace change predicted (3.49617%)
linmin: converged after 4 iterations.
- iteration 31: trace = 0.001834380521982554 (3.9054% change)
+ iteration 31: trace = 0.001834380521748458 (3.9054% change)
linmin: converged after 5 iterations.
- iteration 32: trace = 0.001693627002882612 (7.97921% change)
+ iteration 32: trace = 0.001693627002757739 (7.97921% change)
linmin: converged after 3 iterations.
- iteration 33: trace = 0.001645862013250786 (2.86062% change)
+ iteration 33: trace = 0.001645862013277153 (2.86062% change)
linmin: converged after 3 iterations.
- iteration 34: trace = 0.00162157241635545 (1.48677% change)
+ iteration 34: trace = 0.001621572416332617 (1.48677% change)
large trace change predicted (5.19604%)
linmin: converged after 4 iterations.
- iteration 35: trace = 0.001526837305204811 (6.01797% change)
+ iteration 35: trace = 0.001526837304743273 (6.01797% change)
linmin: converged after 5 iterations.
- iteration 36: trace = 0.001331181622609916 (13.6917% change)
+ iteration 36: trace = 0.001331181622065788 (13.6917% change)
linmin: converged after 4 iterations.
- iteration 37: trace = 0.001255055950679983 (5.88698% change)
+ iteration 37: trace = 0.001255055950375255 (5.88698% change)
linmin: converged after 3 iterations.
- iteration 38: trace = 0.001231638631723321 (1.88341% change)
+ iteration 38: trace = 0.001231638631463513 (1.88341% change)
linmin: converged after 3 iterations.
- iteration 39: trace = 0.001191185578855174 (3.33933% change)
+ iteration 39: trace = 0.001191185578571564 (3.33933% change)
linmin: converged after 4 iterations.
- iteration 40: trace = 0.001115731224371966 (6.54158% change)
+ iteration 40: trace = 0.001115731224187569 (6.54158% change)
linmin: converged after 3 iterations.
- iteration 41: trace = 0.001081930559096441 (3.07606% change)
+ iteration 41: trace = 0.001081930559026527 (3.07606% change)
linmin: converged after 4 iterations.
- iteration 42: trace = 0.001070713334915742 (1.04218% change)
+ iteration 42: trace = 0.001070713334854979 (1.04218% change)
linmin: converged after 3 iterations.
- iteration 43: trace = 0.001050332277760946 (1.92179% change)
+ iteration 43: trace = 0.001050332277628762 (1.92179% change)
large trace change predicted (5.53461%)
linmin: converged after 4 iterations.
- iteration 44: trace = 0.0009871633724335882 (6.20064% change)
+ iteration 44: trace = 0.000987163372203733 (6.20064% change)
linmin: converged after 4 iterations.
- iteration 45: trace = 0.0009348499847442413 (5.4436% change)
+ iteration 45: trace = 0.0009348499846542396 (5.4436% change)
linmin: converged after 3 iterations.
- iteration 46: trace = 0.0009186091629092011 (1.75249% change)
+ iteration 46: trace = 0.0009186091628691179 (1.75249% change)
linmin: converged after 4 iterations.
- iteration 47: trace = 0.0009053624950684855 (1.45251% change)
+ iteration 47: trace = 0.0009053624949987563 (1.45251% change)
large trace change predicted (4.01003%)
linmin: converged after 3 iterations.
- iteration 48: trace = 0.0008674888832388871 (4.27262% change)
+ iteration 48: trace = 0.0008674888830445566 (4.27262% change)
linmin: converged after 3 iterations.
- iteration 49: trace = 0.0008159178081785649 (6.12699% change)
+ iteration 49: trace = 0.0008159178080335557 (6.12699% change)
linmin: converged after 4 iterations.
- iteration 50: trace = 0.0007976349714469041 (2.26616% change)
+ iteration 50: trace = 0.0007976349713781021 (2.26616% change)
linmin: converged after 4 iterations.
- iteration 51: trace = 0.0007916172098281029 (0.757307% change)
+ iteration 51: trace = 0.000791617209769586 (0.757307% change)
linmin: converged after 4 iterations.
- iteration 52: trace = 0.0007826476375286576 (1.13953% change)
+ iteration 52: trace = 0.000782647637445911 (1.13953% change)
large trace change predicted (2.68833%)
linmin: converged after 3 iterations.
- iteration 53: trace = 0.0007610683320960094 (2.79576% change)
+ iteration 53: trace = 0.0007610683319941925 (2.79576% change)
linmin: converged after 4 iterations.
- switching to approximate line minimization (decrease time by 98.536%)
- iteration 54: trace = 0.0007448033462970293 (2.16021% change)
- iteration 55: trace = 0.0007395076947308179 (0.71355% change)
- iteration 56: trace = 0.0007352820756651053 (0.573047% change)
- iteration 57: trace = 0.0007215688620192971 (1.88258% change)
- iteration 58: trace = 0.0006995830451890325 (3.09408% change)
- iteration 59: trace = 0.0006907662411073694 (1.26829% change)
- iteration 60: trace = 0.0006862752011588193 (0.652274% change)
- iteration 61: trace = 0.0006775510008826386 (1.27937% change)
- iteration 62: trace = 0.000661937396636334 (2.33128% change)
- iteration 63: trace = 0.0006535129760739318 (1.28084% change)
- iteration 64: trace = 0.0006506347976208965 (0.441388% change)
- iteration 65: trace = 0.0006481076264471567 (0.389172% change)
- iteration 66: trace = 0.0006421990570322826 (0.91584% change)
- iteration 67: trace = 0.0006321774802661257 (1.57278% change)
- iteration 68: trace = 0.0006259750952155139 (0.985951% change)
- iteration 69: trace = 0.000623278889516347 (0.431651% change)
- resetting CG direction...
- iteration 70: trace = 0.0006226215687630837 (0.105517% change)
- iteration 71: trace = 0.0006191602417820845 (0.557477% change)
- iteration 72: trace = 0.0006126512370827651 (1.05682% change)
- iteration 73: trace = 0.0005989205384044014 (2.26659% change)
- iteration 74: trace = 0.0005847456995950592 (2.39507% change)
- iteration 75: trace = 0.0005752830324279322 (1.63145% change)
- iteration 76: trace = 0.0005678845305126278 (1.29439% change)
- iteration 77: trace = 0.0005628285912797225 (0.894292% change)
- iteration 78: trace = 0.0005626555392125205 (0.0307516% change)
- switching back to exact line minimization
- large trace change predicted (1.22609%)
+ iteration 54: trace = 0.0007448033462511633 (2.16021% change)
+ linmin: converged after 4 iterations.
+ iteration 55: trace = 0.0007395059081910645 (0.713792% change)
+ linmin: converged after 4 iterations.
+ iteration 56: trace = 0.000734989723014633 (0.612574% change)
+ large trace change predicted (1.82366%)
+ linmin: converged after 4 iterations.
+ iteration 57: trace = 0.0007213725308981069 (1.87003% change)
+ linmin: converged after 3 iterations.
+ iteration 58: trace = 0.0006974056183843871 (3.37853% change)
+ linmin: converged after 4 iterations.
+ iteration 59: trace = 0.0006857685871166295 (1.68266% change)
+ linmin: converged after 4 iterations.
+ iteration 60: trace = 0.0006809629613303769 (0.703229% change)
+ linmin: converged after 4 iterations.
+ iteration 61: trace = 0.0006737065008076734 (1.07133% change)
+ linmin: converged after 4 iterations.
+ iteration 62: trace = 0.0006595597907065947 (2.12211% change)
+ linmin: converged after 4 iterations.
+ iteration 63: trace = 0.0006509089490059122 (1.32027% change)
+ linmin: converged after 4 iterations.
+ iteration 64: trace = 0.0006483901390092811 (0.387718% change)
+ linmin: converged after 4 iterations.
+ iteration 65: trace = 0.0006465124061345836 (0.290019% change)
+ large trace change predicted (0.811341%)
+ linmin: converged after 4 iterations.
+ iteration 66: trace = 0.0006412331173909334 (0.819927% change)
+ linmin: converged after 4 iterations.
+ iteration 67: trace = 0.0006311167036627953 (1.59019% change)
+ linmin: converged after 4 iterations.
+ iteration 68: trace = 0.0006255870591604881 (0.880024% change)
+ linmin: converged after 4 iterations.
+ iteration 69: trace = 0.0006232810581683197 (0.369295% change)
+ resetting CG direction...
linmin: converged after 3 iterations.
- iteration 79: trace = 0.0005557706651917763 (1.23117% change)
+ iteration 70: trace = 0.0006225571732045051 (0.116209% change)
+ large trace change predicted (0.609983%)
linmin: converged after 3 iterations.
- iteration 80: trace = 0.0005555986602208504 (0.0309537% change)
- large trace change predicted (0.468883%)
+ iteration 71: trace = 0.0006187620007070495 (0.611474% change)
+ large trace change predicted (1.73973%)
linmin: converged after 3 iterations.
- iteration 81: trace = 0.0005530043842738982 (0.468026% change)
+ iteration 72: trace = 0.0006080141759784033 (1.75221% change)
linmin: converged after 3 iterations.
- iteration 82: trace = 0.0005527536657756488 (0.0453478% change)
- large trace change predicted (0.2609%)
+ iteration 73: trace = 0.0006035622678304225 (0.734895% change)
linmin: converged after 3 iterations.
- iteration 83: trace = 0.0005513180200984618 (0.260064% change)
+ iteration 74: trace = 0.0005956759415962494 (1.31522% change)
+ large trace change predicted (2.85632%)
linmin: converged after 3 iterations.
- iteration 84: trace = 0.0005512439133230123 (0.0134427% change)
- large trace change predicted (0.413105%)
+ iteration 75: trace = 0.0005786878970640165 (2.89315% change)
+ linmin: converged after 4 iterations.
+ iteration 76: trace = 0.0005632744308316242 (2.69947% change)
+ linmin: converged after 2 iterations.
+ iteration 77: trace = 0.0005628726027648138 (0.0713633% change)
+ large trace change predicted (0.145053%)
linmin: converged after 3 iterations.
- iteration 85: trace = 0.0005489914337672051 (0.409454% change)
+ iteration 78: trace = 0.0005620566909256537 (0.14506% change)
+ large trace change predicted (0.920718%)
linmin: converged after 3 iterations.
- iteration 86: trace = 0.000548404744542217 (0.106924% change)
+ iteration 79: trace = 0.0005569012686996278 (0.921468% change)
linmin: converged after 3 iterations.
- iteration 87: trace = 0.0005477860193878605 (0.112886% change)
+ iteration 80: trace = 0.0005530168479597191 (0.699947% change)
linmin: converged after 3 iterations.
- iteration 88: trace = 0.0005477247137427831 (0.0111922% change)
- large trace change predicted (0.107168%)
- linmin: converged after 4 iterations.
- iteration 89: trace = 0.0005471366202782986 (0.107428% change)
+ iteration 81: trace = 0.0005523447937986331 (0.121599% change)
+ linmin: converged after 3 iterations.
+ iteration 82: trace = 0.0005519201577228758 (0.0769084% change)
+ linmin: converged after 3 iterations.
+ iteration 83: trace = 0.0005511154675307357 (0.145905% change)
+ large trace change predicted (0.454137%)
+ linmin: converged after 3 iterations.
+ iteration 84: trace = 0.0005486399805369761 (0.450189% change)
+ linmin: converged after 3 iterations.
+ iteration 85: trace = 0.0005483001043197841 (0.0619681% change)
+ linmin: converged after 3 iterations.
+ iteration 86: trace = 0.0005481437586088394 (0.0285187% change)
+ large trace change predicted (0.103654%)
+ linmin: converged after 3 iterations.
+ iteration 87: trace = 0.000547576267321679 (0.103583% change)
+ linmin: converged after 2 iterations.
+ iteration 88: trace = 0.0005471173775082813 (0.0838389% change)
linmin: converged after 2 iterations.
- iteration 90: trace = 0.0005469147207541458 (0.0405647% change)
+ iteration 89: trace = 0.0005469543549641757 (0.0298011% change)
linmin: converged after 2 iterations.
- iteration 91: trace = 0.0005466761418329422 (0.0436322% change)
- large trace change predicted (0.104467%)
+ iteration 90: trace = 0.0005468753842767918 (0.0144393% change)
+ large trace change predicted (0.179336%)
linmin: converged after 4 iterations.
- iteration 92: trace = 0.0005461037789638006 (0.104754% change)
+ iteration 91: trace = 0.0005458908535778842 (0.180191% change)
linmin: converged after 2 iterations.
- iteration 93: trace = 0.0005458259168297896 (0.0508938% change)
+ iteration 92: trace = 0.0005457402125965552 (0.0275992% change)
linmin: converged after 2 iterations.
- iteration 94: trace = 0.000545651339146641 (0.0319892% change)
- linmin: converged after 3 iterations.
- iteration 95: trace = 0.0005455448307391693 (0.0195214% change)
- large trace change predicted (0.126201%)
+ iteration 93: trace = 0.0005454536841269865 (0.0525165% change)
+ linmin: converged after 2 iterations.
+ iteration 94: trace = 0.0005453725909077288 (0.0148682% change)
+ large trace change predicted (0.0882481%)
linmin: converged after 3 iterations.
- iteration 96: trace = 0.0005448569642546447 (0.126168% change)
+ iteration 95: trace = 0.0005448913918826236 (0.088272% change)
linmin: converged after 2 iterations.
- iteration 97: trace = 0.0005447722760054545 (0.0155444% change)
- large trace change predicted (0.083036%)
- linmin: converged after 4 iterations.
- iteration 98: trace = 0.0005443194993251672 (0.0831476% change)
+ iteration 96: trace = 0.0005447734720807123 (0.0216433% change)
+ large trace change predicted (0.0981658%)
linmin: converged after 2 iterations.
- iteration 99: trace = 0.0005443050222957469 (0.00265969% change)
- large trace change predicted (0.0595276%)
- linmin: converged after 4 iterations.
- iteration 100: trace = 0.0005439800093051602 (0.0597294% change)
+ iteration 97: trace = 0.0005442386144210216 (0.098228% change)
linmin: converged after 2 iterations.
- iteration 101: trace = 0.0005439529857108651 (0.00496788% change)
- large trace change predicted (0.0541096%)
+ iteration 98: trace = 0.0005442276851013754 (0.00200821% change)
+ large trace change predicted (0.082279%)
linmin: converged after 3 iterations.
- iteration 102: trace = 0.000543657633751566 (0.0543121% change)
+ iteration 99: trace = 0.0005437776922384293 (0.0827189% change)
linmin: converged after 2 iterations.
- iteration 103: trace = 0.0005436505135158503 (0.0013097% change)
- large trace change predicted (0.0142613%)
+ iteration 100: trace = 0.0005437640368084018 (0.00251125% change)
+ large trace change predicted (0.0242661%)
linmin: converged after 2 iterations.
- iteration 104: trace = 0.000543572946093896 (0.0142689% change)
+ iteration 101: trace = 0.000543631878746202 (0.0243073% change)
linmin: converged after 2 iterations.
- iteration 105: trace = 0.0005435662850020111 (0.00122543% change)
- large trace change predicted (0.0223306%)
- linmin: converged after 3 iterations.
- iteration 106: trace = 0.0005434449260754796 (0.0223289% change)
+ iteration 102: trace = 0.0005436266544387058 (0.000961006% change)
+ large trace change predicted (0.0202723%)
linmin: converged after 2 iterations.
- iteration 107: trace = 0.0005434406976463318 (0.000778082% change)
- large trace change predicted (0.0101686%)
- linmin: converged after 3 iterations.
- iteration 108: trace = 0.0005433854614796105 (0.0101647% change)
- linmin: converged after 3 iterations.
- iteration 109: trace = 0.0005433630209173898 (0.00412985% change)
+ iteration 103: trace = 0.000543516378075383 (0.0202874% change)
+ linmin: converged after 2 iterations.
+ iteration 104: trace = 0.0005435111183287109 (0.00096773% change)
+ large trace change predicted (0.0121753%)
linmin: converged after 3 iterations.
- iteration 110: trace = 0.0005433198677410858 (0.00794218% change)
+ iteration 105: trace = 0.0005434449567638206 (0.0121737% change)
+ linmin: converged after 2 iterations.
+ iteration 106: trace = 0.0005434410274727657 (0.000723036% change)
+ large trace change predicted (0.0153686%)
linmin: converged after 3 iterations.
- iteration 111: trace = 0.0005433016491217589 (0.00335326% change)
+ iteration 107: trace = 0.000543357583724769 (0.0153559% change)
linmin: converged after 2 iterations.
- iteration 112: trace = 0.0005432904552375306 (0.00206037% change)
- large trace change predicted (0.00503731%)
+ iteration 108: trace = 0.0005433559425934892 (0.000302036% change)
+ large trace change predicted (0.0117648%)
+ linmin: converged after 3 iterations.
+ iteration 109: trace = 0.0005432920431473641 (0.0117608% change)
linmin: converged after 2 iterations.
- iteration 113: trace = 0.0005432630888115566 (0.00503729% change)
+ iteration 110: trace = 0.0005432896628366341 (0.000438128% change)
+ large trace change predicted (0.00949573%)
linmin: converged after 2 iterations.
- iteration 114: trace = 0.0005432405511159749 (0.00414866% change)
+ iteration 111: trace = 0.0005432380426682869 (0.00950186% change)
linmin: converged after 2 iterations.
- iteration 115: trace = 0.0005432232343119156 (0.00318774% change)
+ iteration 112: trace = 0.0005432331257739402 (0.000905113% change)
+ large trace change predicted (0.00221037%)
linmin: converged after 2 iterations.
- iteration 116: trace = 0.0005432227204238679 (9.45998e-05% change)
- large trace change predicted (0.00254651%)
+ iteration 113: trace = 0.000543221116361951 (0.00221075% change)
linmin: converged after 2 iterations.
- iteration 117: trace = 0.0005432088848917903 (0.00254697% change)
+ iteration 114: trace = 0.0005432204746704915 (0.000118127% change)
+ large trace change predicted (0.00265795%)
linmin: converged after 2 iterations.
- iteration 118: trace = 0.0005432080586324675 (0.000152107% change)
- large trace change predicted (0.00130205%)
+ iteration 115: trace = 0.0005432060353813971 (0.00265813% change)
linmin: converged after 2 iterations.
- iteration 119: trace = 0.0005432009854965117 (0.00130211% change)
+ iteration 116: trace = 0.0005432036139747397 (0.000445763% change)
linmin: converged after 2 iterations.
- iteration 120: trace = 0.0005432007843361913 (3.70324e-05% change)
- large trace change predicted (0.00117154%)
+ iteration 117: trace = 0.0005431990785116193 (0.000834951% change)
linmin: converged after 2 iterations.
- iteration 121: trace = 0.0005431944207952946 (0.0011715% change)
+ iteration 118: trace = 0.0005431979264061372 (0.000212097% change)
+ large trace change predicted (0.000723263%)
linmin: converged after 2 iterations.
- iteration 122: trace = 0.0005431939577061234 (8.5253e-05% change)
- large trace change predicted (0.000843668%)
+ iteration 119: trace = 0.0005431939976704792 (0.000723263% change)
linmin: converged after 2 iterations.
- iteration 123: trace = 0.0005431893750371498 (0.000843656% change)
+ iteration 120: trace = 0.0005431920389551275 (0.000360593% change)
+ large trace change predicted (0.00103864%)
linmin: converged after 2 iterations.
- iteration 124: trace = 0.0005431891409549458 (4.3094e-05% change)
- large trace change predicted (0.000806767%)
+ iteration 121: trace = 0.0005431863971834095 (0.00103864% change)
linmin: converged after 2 iterations.
- iteration 125: trace = 0.0005431847586501823 (0.000806777% change)
+ iteration 122: trace = 0.0005431852869783227 (0.000204388% change)
linmin: converged after 2 iterations.
- iteration 126: trace = 0.0005431843328528601 (7.83891e-05% change)
- large trace change predicted (0.000740693%)
+ iteration 123: trace = 0.000543184531099469 (0.000139157% change)
+ large trace change predicted (0.000337847%)
linmin: converged after 2 iterations.
- iteration 127: trace = 0.0005431803095915942 (0.000740683% change)
+ iteration 124: trace = 0.0005431826959961891 (0.000337842% change)
linmin: converged after 2 iterations.
- iteration 128: trace = 0.000543179959249254 (6.44984e-05% change)
+ iteration 125: trace = 0.0005431795216100968 (0.000584407% change)
linmin: converged after 2 iterations.
- iteration 129: trace = 0.0005431795265019933 (7.96693e-05% change)
- large trace change predicted (0.000202366%)
+ iteration 126: trace = 0.000543178894063383 (0.000115532% change)
linmin: converged after 2 iterations.
- iteration 130: trace = 0.0005431784273172502 (0.000202361% change)
+ iteration 127: trace = 0.0005431787781330419 (2.13429e-05% change)
+ large trace change predicted (0.000240786%)
linmin: converged after 2 iterations.
- iteration 131: trace = 0.0005431780317806902 (7.28189e-05% change)
+ iteration 128: trace = 0.0005431774702791114 (0.000240778% change)
linmin: converged after 2 iterations.
- iteration 132: trace = 0.0005431778501809542 (3.34328e-05% change)
+ iteration 129: trace = 0.0005431773353971021 (2.4832e-05% change)
+ large trace change predicted (0.000112502%)
linmin: converged after 2 iterations.
- iteration 133: trace = 0.0005431776179226803 (4.27592e-05% change)
- large trace change predicted (0.000164561%)
+ iteration 130: trace = 0.0005431767243155096 (0.000112501% change)
linmin: converged after 2 iterations.
- iteration 134: trace = 0.000543176724085599 (0.000164557% change)
+ iteration 131: trace = 0.0005431767142489135 (1.85328e-06% change)
+ large trace change predicted (2.02553e-05%)
linmin: converged after 2 iterations.
- iteration 135: trace = 0.0005431767010750109 (4.2363e-06% change)
- large trace change predicted (2.12489e-05%)
+ iteration 132: trace = 0.0005431766042266818 (2.02553e-05% change)
linmin: converged after 2 iterations.
- iteration 136: trace = 0.0005431765856562453 (2.12488e-05% change)
+ iteration 133: trace = 0.0005431765741613696 (5.53509e-06% change)
+ large trace change predicted (3.94766e-05%)
linmin: converged after 2 iterations.
- iteration 137: trace = 0.0005431765718071127 (2.54966e-06% change)
- large trace change predicted (5.28436e-05%)
+ iteration 134: trace = 0.0005431763597343467 (3.94765e-05% change)
linmin: converged after 2 iterations.
- iteration 138: trace = 0.0005431762847744628 (5.28434e-05% change)
+ iteration 135: trace = 0.000543176350304105 (1.73613e-06% change)
+ large trace change predicted (2.12872e-05%)
linmin: converged after 2 iterations.
- iteration 139: trace = 0.0005431762754553261 (1.71567e-06% change)
- resetting CG direction...
+ iteration 136: trace = 0.0005431762346775087 (2.12871e-05% change)
linmin: converged after 2 iterations.
- iteration 140: trace = 0.0005431762667404001 (1.60444e-06% change)
- large trace change predicted (1.19454e-05%)
+ iteration 137: trace = 0.0005431762149597989 (3.63008e-06% change)
+ large trace change predicted (1.89982e-05%)
linmin: converged after 2 iterations.
- iteration 141: trace = 0.0005431762018560444 (1.19454e-05% change)
+ iteration 138: trace = 0.0005431761117660975 (1.89982e-05% change)
linmin: converged after 2 iterations.
- iteration 142: trace = 0.0005431761980762738 (6.95865e-07% change)
-Finished solving for bands 1 to 1 after 142 iterations.
+ iteration 139: trace = 0.0005431761082614572 (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: 2.0462465286254883
-total elapsed time for run: 2.0608127117156982
+elapsed time for k point: 5.13008451461792
+total elapsed time for run: 5.151307106018066
done
Initializing eigensolver data
Computing 1 bands with 1e-08 tolerance
@@ -69646,332 +69665,332 @@
Initializing fields to random numbers...
1 k-points
Vector3<0.5, 0.5, 0.0>
-elapsed time for initialization: 0.01366281509399414
+elapsed time for initialization: 0.055750131607055664
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 = 0.01396294122459344 (199.998% change)
+ iteration 1: trace = 0.01396294122459341 (199.998% change)
linmin: converged after 7 iterations.
- iteration 2: trace = 0.01327637332042482 (5.04101% change)
+ iteration 2: trace = 0.01327637332042484 (5.04101% change)
linmin: converged after 5 iterations.
- iteration 3: trace = 0.01313625235226433 (1.06102% change)
+ iteration 3: trace = 0.01313625235226446 (1.06102% change)
near maximum in trace
linmin: converged after 6 iterations.
- iteration 4: trace = 0.0114262646608427 (13.9236% change)
+ iteration 4: trace = 0.01142626466081094 (13.9236% change)
linmin: converged after 8 iterations.
- iteration 5: trace = 0.0105778426814247 (7.71149% change)
+ iteration 5: trace = 0.01057784268141021 (7.71149% change)
linmin: converged after 6 iterations.
- iteration 6: trace = 0.01013639857555772 (4.26223% change)
+ iteration 6: trace = 0.0101363985755588 (4.26223% change)
linmin: converged after 6 iterations.
- iteration 7: trace = 0.009897078209514276 (2.3892% change)
+ iteration 7: trace = 0.009897078209518385 (2.3892% change)
linmin: converged after 8 iterations.
- iteration 8: trace = 0.008886564416124102 (10.7595% change)
+ iteration 8: trace = 0.008886564416138045 (10.7595% change)
linmin: converged after 6 iterations.
- iteration 9: trace = 0.008565145991395282 (3.68352% change)
+ iteration 9: trace = 0.008565145991401256 (3.68352% change)
linmin: converged after 4 iterations.
- iteration 10: trace = 0.008397849844160287 (1.97248% change)
+ iteration 10: trace = 0.008397849844177109 (1.97248% change)
large trace change predicted (5.94936%)
linmin: converged after 8 iterations.
- iteration 11: trace = 0.007175141845411724 (15.7029% change)
+ iteration 11: trace = 0.007175141845434898 (15.7029% change)
linmin: converged after 5 iterations.
- iteration 12: trace = 0.006939886279331015 (3.33341% change)
+ iteration 12: trace = 0.00693988627934725 (3.33341% change)
linmin: converged after 5 iterations.
- iteration 13: trace = 0.006754220864490118 (2.71161% change)
+ iteration 13: trace = 0.006754220864517417 (2.71161% change)
linmin: converged after 8 iterations.
- iteration 14: trace = 0.005999068791934243 (11.8425% change)
+ iteration 14: trace = 0.005999068791940736 (11.8425% change)
linmin: converged after 5 iterations.
- iteration 15: trace = 0.005828143295089338 (2.89038% change)
+ iteration 15: trace = 0.005828143295087075 (2.89038% change)
linmin: converged after 5 iterations.
- iteration 16: trace = 0.005499745249097797 (5.79805% change)
+ iteration 16: trace = 0.005499745249108462 (5.79805% change)
linmin: converged after 5 iterations.
- iteration 17: trace = 0.004689705950872016 (15.8996% change)
+ iteration 17: trace = 0.004689705950887633 (15.8996% change)
linmin: converged after 4 iterations.
- iteration 18: trace = 0.00454821626307008 (3.06324% change)
+ iteration 18: trace = 0.004548216263088865 (3.06324% change)
linmin: converged after 3 iterations.
- iteration 19: trace = 0.004494400626848155 (1.19027% change)
+ iteration 19: trace = 0.004494400626864724 (1.19027% change)
large trace change predicted (8.55502%)
linmin: converged after 6 iterations.
- iteration 20: trace = 0.003852697661184533 (15.3755% change)
+ iteration 20: trace = 0.003852697661175374 (15.3755% change)
linmin: converged after 6 iterations.
- iteration 21: trace = 0.003401441414579496 (12.4413% change)
+ iteration 21: trace = 0.003401441414578578 (12.4413% change)
linmin: converged after 3 iterations.
- iteration 22: trace = 0.003342291500870931 (1.75422% change)
+ iteration 22: trace = 0.003342291500872484 (1.75422% change)
linmin: converged after 5 iterations.
- iteration 23: trace = 0.003210733866362605 (4.01517% change)
+ iteration 23: trace = 0.003210733866357022 (4.01517% change)
linmin: converged after 6 iterations.
- iteration 24: trace = 0.002909608419534281 (9.84015% change)
+ iteration 24: trace = 0.002909608419542651 (9.84015% change)
linmin: converged after 4 iterations.
- iteration 25: trace = 0.002833135702040715 (2.66328% change)
+ iteration 25: trace = 0.002833135702054997 (2.66328% change)
linmin: converged after 3 iterations.
- iteration 26: trace = 0.002795671508290575 (1.33116% change)
+ iteration 26: trace = 0.002795671508303086 (1.33116% change)
large trace change predicted (6.68769%)
linmin: converged after 5 iterations.
- iteration 27: trace = 0.002551161055495985 (9.14599% change)
+ iteration 27: trace = 0.002551161055497138 (9.14599% change)
linmin: converged after 6 iterations.
- iteration 28: trace = 0.002146624058566574 (17.2225% change)
+ iteration 28: trace = 0.002146624058558601 (17.2225% change)
linmin: converged after 4 iterations.
- iteration 29: trace = 0.002047335440863474 (4.73484% change)
+ iteration 29: trace = 0.002047335440850979 (4.73484% change)
linmin: converged after 3 iterations.
- iteration 30: trace = 0.002021075958935488 (1.2909% change)
+ iteration 30: trace = 0.002021075958922958 (1.2909% change)
large trace change predicted (3.49827%)
linmin: converged after 4 iterations.
- iteration 31: trace = 0.001943283503170069 (3.92459% change)
+ iteration 31: trace = 0.001943283503165571 (3.92459% change)
linmin: converged after 5 iterations.
- iteration 32: trace = 0.001807179549753952 (7.25798% change)
+ iteration 32: trace = 0.001807179549763089 (7.25798% change)
linmin: converged after 3 iterations.
- iteration 33: trace = 0.001763263473819884 (2.45998% change)
+ iteration 33: trace = 0.001763263473831708 (2.45998% change)
linmin: converged after 3 iterations.
- iteration 34: trace = 0.00173780035932814 (1.45459% change)
+ iteration 34: trace = 0.001737800359338393 (1.45459% change)
large trace change predicted (5.25882%)
linmin: converged after 4 iterations.
- iteration 35: trace = 0.001633741627719343 (6.17277% change)
+ iteration 35: trace = 0.001633741627722456 (6.17277% change)
linmin: converged after 5 iterations.
- iteration 36: trace = 0.001441114809877337 (12.5292% change)
+ iteration 36: trace = 0.00144111480988039 (12.5292% change)
linmin: converged after 4 iterations.
- iteration 37: trace = 0.001370755783728522 (5.00443% change)
+ iteration 37: trace = 0.001370755783732292 (5.00443% change)
linmin: converged after 3 iterations.
- iteration 38: trace = 0.001346317415227613 (1.79887% change)
+ iteration 38: trace = 0.001346317415230376 (1.79887% change)
linmin: converged after 3 iterations.
- iteration 39: trace = 0.001298937134873148 (3.58229% change)
+ iteration 39: trace = 0.001298937134873691 (3.58229% change)
linmin: converged after 4 iterations.
- iteration 40: trace = 0.001218627642656029 (6.37993% change)
+ iteration 40: trace = 0.001218627642653946 (6.37993% change)
linmin: converged after 3 iterations.
- iteration 41: trace = 0.001185961764719755 (2.71696% change)
+ iteration 41: trace = 0.00118596176471649 (2.71696% change)
linmin: converged after 4 iterations.
- iteration 42: trace = 0.001174813105177768 (0.944492% change)
+ iteration 42: trace = 0.001174813105174837 (0.944492% change)
linmin: converged after 3 iterations.
- iteration 43: trace = 0.001153265562989852 (1.8511% change)
+ iteration 43: trace = 0.001153265562989905 (1.8511% change)
large trace change predicted (5.22719%)
linmin: converged after 4 iterations.
- iteration 44: trace = 0.00108743367114814 (5.87601% change)
+ iteration 44: trace = 0.001087433671151787 (5.87601% change)
linmin: converged after 4 iterations.
- iteration 45: trace = 0.001034298521884282 (5.00866% change)
+ iteration 45: trace = 0.001034298521881662 (5.00866% change)
linmin: converged after 3 iterations.
- iteration 46: trace = 0.001017851035013724 (1.60295% change)
+ iteration 46: trace = 0.001017851035009094 (1.60295% change)
linmin: converged after 4 iterations.
- iteration 47: trace = 0.001004519468268955 (1.31841% change)
+ iteration 47: trace = 0.001004519468266591 (1.31841% change)
large trace change predicted (3.61609%)
linmin: converged after 3 iterations.
- iteration 48: trace = 0.0009665939687700462 (3.84813% change)
+ iteration 48: trace = 0.0009665939687762763 (3.84813% change)
linmin: converged after 3 iterations.
- iteration 49: trace = 0.0009133188303358663 (5.66783% change)
+ iteration 49: trace = 0.0009133188303390839 (5.66783% change)
linmin: converged after 3 iterations.
- iteration 50: trace = 0.0008935369733055747 (2.18964% change)
+ iteration 50: trace = 0.0008935369733028341 (2.18964% change)
linmin: converged after 4 iterations.
- iteration 51: trace = 0.0008868840069755231 (0.747348% change)
+ iteration 51: trace = 0.000886884006971483 (0.747348% change)
linmin: converged after 4 iterations.
- iteration 52: trace = 0.0008772749495180147 (1.08936% change)
+ iteration 52: trace = 0.0008772749495150331 (1.08936% change)
large trace change predicted (2.44609%)
linmin: converged after 3 iterations.
- iteration 53: trace = 0.0008552392129427833 (2.54379% change)
+ iteration 53: trace = 0.0008552392129429354 (2.54379% change)
linmin: converged after 3 iterations.
- iteration 54: trace = 0.0008389524700076778 (1.92266% change)
+ iteration 54: trace = 0.0008389524700080418 (1.92266% change)
linmin: converged after 4 iterations.
- iteration 55: trace = 0.0008335405326929656 (0.64717% change)
+ iteration 55: trace = 0.0008335405326932137 (0.64717% change)
linmin: converged after 4 iterations.
- iteration 56: trace = 0.0008288283473208021 (0.566924% change)
+ iteration 56: trace = 0.0008288283473217279 (0.566924% change)
large trace change predicted (1.66737%)
linmin: converged after 4 iterations.
- iteration 57: trace = 0.000814772592137432 (1.71036% change)
+ iteration 57: trace = 0.0008147725921408485 (1.71036% change)
linmin: converged after 3 iterations.
- iteration 58: trace = 0.000790079348502702 (3.07732% change)
+ iteration 58: trace = 0.0007900793485054786 (3.07732% change)
linmin: converged after 4 iterations.
- iteration 59: trace = 0.0007778204750144772 (1.56373% change)
+ iteration 59: trace = 0.0007778204750146602 (1.56373% change)
linmin: converged after 4 iterations.
- iteration 60: trace = 0.000772667468305976 (0.664695% change)
+ iteration 60: trace = 0.0007726674683056963 (0.664695% change)
linmin: converged after 4 iterations.
- iteration 61: trace = 0.0007649513901889924 (1.00364% change)
+ iteration 61: trace = 0.0007649513901897708 (1.00364% change)
linmin: converged after 3 iterations.
- iteration 62: trace = 0.0007496428368877253 (2.02147% change)
+ iteration 62: trace = 0.0007496428368886401 (2.02147% change)
linmin: converged after 4 iterations.
- iteration 63: trace = 0.0007398684201165921 (1.31243% change)
+ iteration 63: trace = 0.0007398684201150611 (1.31243% change)
linmin: converged after 4 iterations.
- iteration 64: trace = 0.0007370458134007473 (0.38223% change)
+ iteration 64: trace = 0.0007370458133985373 (0.38223% change)
linmin: converged after 4 iterations.
- iteration 65: trace = 0.0007351918599744119 (0.251855% change)
+ iteration 65: trace = 0.000735191859972615 (0.251855% change)
large trace change predicted (0.666574%)
linmin: converged after 4 iterations.
- iteration 66: trace = 0.0007302607013479041 (0.672988% change)
+ iteration 66: trace = 0.0007302607013482175 (0.672988% change)
large trace change predicted (1.44705%)
linmin: converged after 4 iterations.
- iteration 67: trace = 0.0007195516691332926 (1.4773% change)
+ iteration 67: trace = 0.0007195516691339608 (1.4773% change)
linmin: converged after 4 iterations.
- iteration 68: trace = 0.0007127713608906345 (0.946757% change)
+ iteration 68: trace = 0.0007127713608884197 (0.946757% change)
linmin: converged after 4 iterations.
- iteration 69: trace = 0.0007101173341157817 (0.373048% change)
+ iteration 69: trace = 0.000710117334112892 (0.373048% change)
resetting CG direction...
linmin: converged after 3 iterations.
- iteration 70: trace = 0.0007093654384218669 (0.105939% change)
+ iteration 70: trace = 0.0007093654384190247 (0.105939% change)
large trace change predicted (0.55778%)
linmin: converged after 3 iterations.
- iteration 71: trace = 0.000705411533580544 (0.558944% change)
+ iteration 71: trace = 0.0007054115335778135 (0.558944% change)
linmin: converged after 3 iterations.
- iteration 72: trace = 0.0007043508285004786 (0.15048% change)
+ iteration 72: trace = 0.0007043508284973863 (0.15048% change)
large trace change predicted (2.1297%)
linmin: converged after 3 iterations.
- iteration 73: trace = 0.0006893877837385344 (2.14718% change)
+ iteration 73: trace = 0.000689387783738627 (2.14718% change)
linmin: converged after 3 iterations.
- iteration 74: trace = 0.0006869429879499206 (0.355263% change)
+ iteration 74: trace = 0.0006869429879505159 (0.355263% change)
large trace change predicted (3.46402%)
linmin: converged after 3 iterations.
- iteration 75: trace = 0.000663241973036735 (3.51078% change)
+ iteration 75: trace = 0.000663241973040529 (3.51078% change)
linmin: converged after 4 iterations.
- iteration 76: trace = 0.0006461474496927666 (2.61107% change)
+ iteration 76: trace = 0.0006461474496940278 (2.61107% change)
linmin: converged after 2 iterations.
- iteration 77: trace = 0.0006453825708276554 (0.118445% change)
+ iteration 77: trace = 0.000645382570827874 (0.118445% change)
linmin: converged after 3 iterations.
- iteration 78: trace = 0.0006447710424076794 (0.0947993% change)
+ iteration 78: trace = 0.0006447710424067101 (0.0947993% change)
large trace change predicted (0.757839%)
linmin: converged after 3 iterations.
- iteration 79: trace = 0.0006399009415589562 (0.758186% change)
+ iteration 79: trace = 0.0006399009415614986 (0.758186% change)
linmin: converged after 3 iterations.
- iteration 80: trace = 0.0006345766138962219 (0.835531% change)
+ iteration 80: trace = 0.0006345766138954315 (0.835531% change)
linmin: converged after 3 iterations.
- iteration 81: trace = 0.0006342779858427757 (0.0470705% change)
+ iteration 81: trace = 0.0006342779858427185 (0.0470705% change)
large trace change predicted (0.197479%)
linmin: converged after 3 iterations.
- iteration 82: trace = 0.0006330287779099556 (0.197144% change)
+ iteration 82: trace = 0.0006330287779096562 (0.197144% change)
linmin: converged after 3 iterations.
- iteration 83: trace = 0.0006328503458957666 (0.028191% change)
+ iteration 83: trace = 0.0006328503458957316 (0.028191% change)
large trace change predicted (0.477008%)
linmin: converged after 3 iterations.
- iteration 84: trace = 0.0006298664595372126 (0.472614% change)
+ iteration 84: trace = 0.0006298664595368616 (0.472614% change)
linmin: converged after 3 iterations.
- iteration 85: trace = 0.0006297884416292021 (0.0123872% change)
+ iteration 85: trace = 0.0006297884416290364 (0.0123872% change)
large trace change predicted (0.134896%)
linmin: converged after 3 iterations.
- iteration 86: trace = 0.0006289405513807541 (0.134722% change)
+ iteration 86: trace = 0.0006289405513807639 (0.134722% change)
linmin: converged after 2 iterations.
- iteration 87: trace = 0.0006288999747737499 (0.00645179% change)
+ iteration 87: trace = 0.0006288999747736609 (0.00645179% change)
large trace change predicted (0.114108%)
linmin: converged after 2 iterations.
- iteration 88: trace = 0.0006281819528921858 (0.114236% change)
+ iteration 88: trace = 0.0006281819528921466 (0.114236% change)
linmin: converged after 2 iterations.
- iteration 89: trace = 0.0006281612812703783 (0.00329076% change)
+ iteration 89: trace = 0.000628161281270317 (0.00329076% change)
large trace change predicted (0.19915%)
linmin: converged after 4 iterations.
- iteration 90: trace = 0.000626904802743337 (0.200225% change)
+ iteration 90: trace = 0.0006269048027432523 (0.200225% change)
linmin: converged after 2 iterations.
- iteration 91: trace = 0.0006268416995434704 (0.0100663% change)
+ iteration 91: trace = 0.0006268416995451312 (0.0100663% change)
large trace change predicted (0.0707117%)
linmin: converged after 4 iterations.
- iteration 92: trace = 0.0006263980312007239 (0.0708034% change)
+ iteration 92: trace = 0.000626398031200671 (0.0708034% change)
linmin: converged after 2 iterations.
- iteration 93: trace = 0.0006263687788694509 (0.00467004% change)
+ iteration 93: trace = 0.0006263687788694769 (0.00467004% change)
large trace change predicted (0.100754%)
linmin: converged after 2 iterations.
- iteration 94: trace = 0.0006257376260450392 (0.100815% change)
+ iteration 94: trace = 0.0006257376260450012 (0.100815% change)
linmin: converged after 2 iterations.
- iteration 95: trace = 0.0006254476225647274 (0.0463566% change)
+ iteration 95: trace = 0.0006254476225758918 (0.0463566% change)
linmin: converged after 2 iterations.
- iteration 96: trace = 0.0006249214954456881 (0.0841555% change)
+ iteration 96: trace = 0.0006249214954458861 (0.0841555% change)
linmin: converged after 2 iterations.
- iteration 97: trace = 0.0006249085073482931 (0.00207838% change)
+ iteration 97: trace = 0.0006249085073484139 (0.00207838% change)
large trace change predicted (0.0655912%)
linmin: converged after 2 iterations.
- iteration 98: trace = 0.0006244969880428375 (0.0658744% change)
+ iteration 98: trace = 0.0006244969880426135 (0.0658744% change)
linmin: converged after 2 iterations.
- iteration 99: trace = 0.0006243594162112551 (0.0220316% change)
+ iteration 99: trace = 0.0006243594162144896 (0.0220316% change)
linmin: converged after 2 iterations.
- iteration 100: trace = 0.0006242411519433756 (0.0189435% change)
+ iteration 100: trace = 0.0006242411519433558 (0.0189435% change)
linmin: converged after 2 iterations.
- iteration 101: trace = 0.0006242120429819745 (0.0046632% change)
+ iteration 101: trace = 0.0006242120429852499 (0.0046632% change)
large trace change predicted (0.0168475%)
linmin: converged after 2 iterations.
- iteration 102: trace = 0.0006241068170757117 (0.0168588% change)
+ iteration 102: trace = 0.0006241068170755967 (0.0168588% change)
linmin: converged after 3 iterations.
- iteration 103: trace = 0.0006240132387217271 (0.0149951% change)
+ iteration 103: trace = 0.0006240132387222155 (0.0149951% change)
linmin: converged after 2 iterations.
- iteration 104: trace = 0.0006240067268226067 (0.00104356% change)
+ iteration 104: trace = 0.0006240067268226032 (0.00104356% change)
large trace change predicted (0.0183095%)
linmin: converged after 3 iterations.
- iteration 105: trace = 0.0006238926340010048 (0.0182856% change)
+ iteration 105: trace = 0.0006238926340019662 (0.0182856% change)
linmin: converged after 2 iterations.
- iteration 106: trace = 0.0006238881804011318 (0.000713843% change)
+ iteration 106: trace = 0.0006238881804011373 (0.000713843% change)
large trace change predicted (0.0117224%)
linmin: converged after 3 iterations.
- iteration 107: trace = 0.0006238150679885372 (0.0117195% change)
+ iteration 107: trace = 0.0006238150679888384 (0.0117195% change)
linmin: converged after 2 iterations.
- iteration 108: trace = 0.0006238111858541319 (0.000622323% change)
+ iteration 108: trace = 0.0006238111858541247 (0.000622323% change)
large trace change predicted (0.0102983%)
linmin: converged after 2 iterations.
- iteration 109: trace = 0.0006237468869857191 (0.010308% change)
+ iteration 109: trace = 0.000623746886985712 (0.010308% change)
linmin: converged after 2 iterations.
- iteration 110: trace = 0.0006237433266605454 (0.000570798% change)
+ iteration 110: trace = 0.0006237433266613875 (0.000570798% change)
large trace change predicted (0.00283281%)
linmin: converged after 2 iterations.
- iteration 111: trace = 0.0006237256523970991 (0.00283362% change)
+ iteration 111: trace = 0.0006237256523971031 (0.00283362% change)
linmin: converged after 2 iterations.
- iteration 112: trace = 0.0006237252184688408 (6.95704e-05% change)
+ iteration 112: trace = 0.0006237252184688577 (6.95704e-05% change)
large trace change predicted (0.00313033%)
linmin: converged after 2 iterations.
- iteration 113: trace = 0.0006237056946706663 (0.00313024% change)
+ iteration 113: trace = 0.0006237056946706505 (0.00313024% change)
linmin: converged after 2 iterations.
- iteration 114: trace = 0.0006237007607942054 (0.000791062% change)
+ iteration 114: trace = 0.0006237007607950098 (0.000791061% change)
linmin: converged after 2 iterations.
- iteration 115: trace = 0.0006236986742965006 (0.000334536% change)
+ iteration 115: trace = 0.0006236986742964966 (0.000334536% change)
linmin: converged after 2 iterations.
- iteration 116: trace = 0.0006236977784983962 (0.000143627% change)
+ iteration 116: trace = 0.0006236977784986264 (0.000143627% change)
large trace change predicted (0.0013261%)
linmin: converged after 2 iterations.
- iteration 117: trace = 0.0006236895075212109 (0.00132613% change)
+ iteration 117: trace = 0.0006236895075211971 (0.00132613% change)
linmin: converged after 2 iterations.
- iteration 118: trace = 0.0006236808514363969 (0.00138789% change)
+ iteration 118: trace = 0.0006236808514364818 (0.00138789% change)
linmin: converged after 2 iterations.
- iteration 119: trace = 0.0006236804477339188 (6.4729e-05% change)
+ iteration 119: trace = 0.0006236804477339136 (6.47291e-05% change)
large trace change predicted (0.000231625%)
linmin: converged after 2 iterations.
- iteration 120: trace = 0.0006236790031520221 (0.000231622% change)
+ iteration 120: trace = 0.0006236790031526859 (0.000231622% change)
linmin: converged after 2 iterations.
- iteration 121: trace = 0.0006236775448099845 (0.000233829% change)
+ iteration 121: trace = 0.0006236775448099675 (0.000233829% change)
large trace change predicted (0.000893709%)
linmin: converged after 3 iterations.
- iteration 122: trace = 0.0006236719715208742 (0.000893621% change)
+ iteration 122: trace = 0.000623671971520872 (0.000893621% change)
linmin: converged after 2 iterations.
- iteration 123: trace = 0.0006236719287778088 (6.85345e-06% change)
+ iteration 123: trace = 0.000623671928777806 (6.85345e-06% change)
large trace change predicted (0.000268391%)
linmin: converged after 2 iterations.
- iteration 124: trace = 0.0006236702549673057 (0.00026838% change)
+ iteration 124: trace = 0.0006236702549673972 (0.00026838% change)
linmin: converged after 2 iterations.
- iteration 125: trace = 0.0006236701591373873 (1.53655e-05% change)
+ iteration 125: trace = 0.0006236701591373892 (1.53655e-05% change)
large trace change predicted (0.000167545%)
linmin: converged after 2 iterations.
- iteration 126: trace = 0.0006236691142128384 (0.000167545% change)
+ iteration 126: trace = 0.0006236691142128331 (0.000167545% change)
linmin: converged after 2 iterations.
- iteration 127: trace = 0.0006236690826243761 (5.06494e-06% change)
+ iteration 127: trace = 0.0006236690826243756 (5.06494e-06% change)
large trace change predicted (5.07594e-05%)
linmin: converged after 2 iterations.
- iteration 128: trace = 0.0006236687660521738 (5.07597e-05% change)
+ iteration 128: trace = 0.0006236687660521714 (5.07597e-05% change)
linmin: converged after 2 iterations.
- iteration 129: trace = 0.0006236687434015886 (3.63183e-06% change)
+ iteration 129: trace = 0.0006236687434016156 (3.63182e-06% change)
large trace change predicted (3.23205e-05%)
linmin: converged after 2 iterations.
- iteration 130: trace = 0.0006236685418293253 (3.23204e-05% change)
+ iteration 130: trace = 0.0006236685418293207 (3.23204e-05% change)
linmin: converged after 2 iterations.
- iteration 131: trace = 0.0006236684592828954 (1.32356e-05% change)
+ iteration 131: trace = 0.0006236684592828836 (1.32356e-05% change)
large trace change predicted (2.8915e-05%)
linmin: converged after 2 iterations.
- iteration 132: trace = 0.0006236682789503623 (2.89148e-05% change)
+ iteration 132: trace = 0.0006236682789503597 (2.89148e-05% change)
linmin: converged after 2 iterations.
- iteration 133: trace = 0.000623668112285246 (2.67234e-05% change)
+ iteration 133: trace = 0.0006236681122852685 (2.67234e-05% change)
linmin: converged after 2 iterations.
- iteration 134: trace = 0.0006236680961513032 (2.58694e-06% change)
+ iteration 134: trace = 0.0006236680961513038 (2.58695e-06% change)
large trace change predicted (1.20072e-05%)
linmin: converged after 2 iterations.
- iteration 135: trace = 0.000623668021265661 (1.20073e-05% change)
+ iteration 135: trace = 0.0006236680212656702 (1.20073e-05% change)
large trace change predicted (3.59892e-05%)
linmin: converged after 2 iterations.
- iteration 136: trace = 0.0006236677968098788 (3.59896e-05% change)
+ iteration 136: trace = 0.0006236677968098786 (3.59896e-05% change)
linmin: converged after 2 iterations.
- iteration 137: trace = 0.0006236677322588554 (1.03502e-05% change)
+ iteration 137: trace = 0.0006236677322588559 (1.03502e-05% change)
linmin: converged after 1 iterations.
- iteration 138: trace = 0.0006236677264374821 (9.33409e-07% change)
+ iteration 138: trace = 0.0006236677264374844 (9.33409e-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: 2.787832736968994
-total elapsed time for run: 2.801638603210449
+elapsed time for k point: 5.373315334320068
+total elapsed time for run: 5.429279088973999
done
Initializing eigensolver data
Computing 1 bands with 1e-08 tolerance
@@ -70051,332 +70070,332 @@
Initializing fields to random numbers...
1 k-points
Vector3<0.5, 0.5, 0.0>
-elapsed time for initialization: 0.025667905807495117
+elapsed time for initialization: 0.04656219482421875
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 = 0.01396271777702836 (199.998% change)
+ iteration 1: trace = 0.01396271777714665 (199.998% change)
linmin: converged after 7 iterations.
- iteration 2: trace = 0.01327684379161198 (5.03587% change)
+ iteration 2: trace = 0.01327684379137829 (5.03587% change)
linmin: converged after 5 iterations.
- iteration 3: trace = 0.01313325504605953 (1.08738% change)
+ iteration 3: trace = 0.01313325504767425 (1.08738% change)
near maximum in trace
linmin: converged after 6 iterations.
- iteration 4: trace = 0.01143107375305804 (13.859% change)
+ iteration 4: trace = 0.0114310737506249 (13.859% change)
linmin: converged after 8 iterations.
- iteration 5: trace = 0.01057169175048609 (7.81158% change)
+ iteration 5: trace = 0.01057169175360215 (7.81158% change)
linmin: converged after 6 iterations.
- iteration 6: trace = 0.01011490400305185 (4.41627% change)
+ iteration 6: trace = 0.01011490401418842 (4.41627% change)
linmin: converged after 6 iterations.
- iteration 7: trace = 0.009876993326940529 (2.38007% change)
+ iteration 7: trace = 0.009876993337045219 (2.38007% change)
linmin: converged after 8 iterations.
- iteration 8: trace = 0.008846068449824534 (11.0124% change)
+ iteration 8: trace = 0.008846068470463845 (11.0124% change)
linmin: converged after 6 iterations.
- iteration 9: trace = 0.008517042033741517 (3.78995% change)
+ iteration 9: trace = 0.008517042058719481 (3.78995% change)
linmin: converged after 5 iterations.
- iteration 10: trace = 0.008326268447758417 (2.26527% change)
+ iteration 10: trace = 0.008326268486439636 (2.26527% change)
large trace change predicted (6.09955%)
linmin: converged after 8 iterations.
- iteration 11: trace = 0.007074914981587171 (16.2501% change)
+ iteration 11: trace = 0.007074915031937615 (16.2501% change)
linmin: converged after 5 iterations.
- iteration 12: trace = 0.0068424473100983 (3.34069% change)
+ iteration 12: trace = 0.006842447359053197 (3.34069% change)
linmin: converged after 5 iterations.
- iteration 13: trace = 0.006644462447490108 (2.93596% change)
+ iteration 13: trace = 0.006644462501839149 (2.93596% change)
linmin: converged after 8 iterations.
- iteration 14: trace = 0.005865808379186664 (12.4482% change)
+ iteration 14: trace = 0.005865808450963307 (12.4482% change)
linmin: converged after 5 iterations.
- iteration 15: trace = 0.005690963849388867 (3.02584% change)
+ iteration 15: trace = 0.005690963925043872 (3.02584% change)
linmin: converged after 5 iterations.
- iteration 16: trace = 0.005359508618371709 (5.99893% change)
+ iteration 16: trace = 0.005359508692920852 (5.99893% change)
linmin: converged after 6 iterations.
- iteration 17: trace = 0.004560607719456693 (16.1067% change)
+ iteration 17: trace = 0.00456060778521356 (16.1067% change)
linmin: converged after 4 iterations.
- iteration 18: trace = 0.004423220450095891 (3.05855% change)
+ iteration 18: trace = 0.004423220512570115 (3.05855% change)
linmin: converged after 3 iterations.
- iteration 19: trace = 0.004368098291745498 (1.25401% change)
+ iteration 19: trace = 0.004368098355360906 (1.25401% change)
large trace change predicted (8.81704%)
linmin: converged after 6 iterations.
- iteration 20: trace = 0.003725891927072717 (15.8687% change)
+ iteration 20: trace = 0.003725891995507452 (15.8687% change)
linmin: converged after 6 iterations.
- iteration 21: trace = 0.003276517045039942 (12.8349% change)
+ iteration 21: trace = 0.003276517110205123 (12.8349% change)
linmin: converged after 3 iterations.
- iteration 22: trace = 0.003217890421897692 (1.80545% change)
+ iteration 22: trace = 0.003217890486287238 (1.80545% change)
linmin: converged after 5 iterations.
- iteration 23: trace = 0.003089917254376704 (4.05761% change)
+ iteration 23: trace = 0.003089917318553374 (4.05761% change)
linmin: converged after 6 iterations.
- iteration 24: trace = 0.002789088802517308 (10.234% change)
+ iteration 24: trace = 0.002789088865140863 (10.234% change)
linmin: converged after 4 iterations.
- iteration 25: trace = 0.002710905354961251 (2.84304% change)
+ iteration 25: trace = 0.002710905416928298 (2.84304% change)
linmin: converged after 3 iterations.
- iteration 26: trace = 0.002674218192750009 (1.36254% change)
+ iteration 26: trace = 0.00267421825470026 (1.36254% change)
large trace change predicted (6.80506%)
linmin: converged after 5 iterations.
- iteration 27: trace = 0.002438970559116478 (9.2016% change)
+ iteration 27: trace = 0.002438970621319509 (9.2016% change)
linmin: converged after 6 iterations.
- iteration 28: trace = 0.002034189379115413 (18.0982% change)
+ iteration 28: trace = 0.00203418944010795 (18.0982% change)
linmin: converged after 4 iterations.
- iteration 29: trace = 0.001933181140043519 (5.09195% change)
+ iteration 29: trace = 0.001933181200037266 (5.09195% change)
linmin: converged after 3 iterations.
- iteration 30: trace = 0.001907998536383545 (1.31119% change)
+ iteration 30: trace = 0.001907998595895339 (1.31119% change)
large trace change predicted (3.49571%)
linmin: converged after 4 iterations.
- iteration 31: trace = 0.001834919563143996 (3.90492% change)
+ iteration 31: trace = 0.001834919621447166 (3.90492% change)
linmin: converged after 5 iterations.
- iteration 32: trace = 0.001694173040973493 (7.97636% change)
+ iteration 32: trace = 0.001694173099988268 (7.97636% change)
linmin: converged after 3 iterations.
- iteration 33: trace = 0.001646415844799382 (2.85921% change)
+ iteration 33: trace = 0.001646415904567996 (2.85921% change)
linmin: converged after 3 iterations.
- iteration 34: trace = 0.001622123099137429 (1.48646% change)
+ iteration 34: trace = 0.001622123158599355 (1.48646% change)
large trace change predicted (5.19533%)
linmin: converged after 4 iterations.
- iteration 35: trace = 0.001527365652848173 (6.01732% change)
+ iteration 35: trace = 0.001527365710188078 (6.01732% change)
linmin: converged after 5 iterations.
- iteration 36: trace = 0.001331717456680297 (13.6861% change)
+ iteration 36: trace = 0.001331717514930319 (13.6861% change)
linmin: converged after 4 iterations.
- iteration 37: trace = 0.001255605877456531 (5.88342% change)
+ iteration 37: trace = 0.0012556059370911 (5.88342% change)
linmin: converged after 3 iterations.
- iteration 38: trace = 0.001232184370411997 (1.88292% change)
+ iteration 38: trace = 0.001232184429554499 (1.88292% change)
linmin: converged after 3 iterations.
- iteration 39: trace = 0.001191709291606005 (3.33967% change)
+ iteration 39: trace = 0.001191709348343456 (3.33967% change)
linmin: converged after 4 iterations.
- iteration 40: trace = 0.001116235031558499 (6.54039% change)
+ iteration 40: trace = 0.00111623508604669 (6.54039% change)
linmin: converged after 3 iterations.
- iteration 41: trace = 0.001082435546869993 (3.07454% change)
+ iteration 41: trace = 0.001082435601416226 (3.07454% change)
linmin: converged after 4 iterations.
- iteration 42: trace = 0.001071218047810318 (1.04172% change)
+ iteration 42: trace = 0.001071218102323885 (1.04172% change)
linmin: converged after 3 iterations.
- iteration 43: trace = 0.001050833174184015 (1.92124% change)
+ iteration 43: trace = 0.001050833228335185 (1.92124% change)
large trace change predicted (5.53279%)
linmin: converged after 4 iterations.
- iteration 44: trace = 0.0009876536841237583 (6.19867% change)
+ iteration 44: trace = 0.0009876537371946072 (6.19867% change)
linmin: converged after 4 iterations.
- iteration 45: trace = 0.0009353331475532206 (5.44159% change)
+ iteration 45: trace = 0.0009353331997483407 (5.44159% change)
linmin: converged after 3 iterations.
- iteration 46: trace = 0.0009190901935964249 (1.75181% change)
+ iteration 46: trace = 0.0009190902455256912 (1.75181% change)
linmin: converged after 4 iterations.
- iteration 47: trace = 0.0009058432198162384 (1.45178% change)
+ iteration 47: trace = 0.0009058432717368889 (1.45178% change)
large trace change predicted (4.00783%)
linmin: converged after 3 iterations.
- iteration 48: trace = 0.0008679701532720463 (4.27024% change)
+ iteration 48: trace = 0.0008679702053511236 (4.27024% change)
linmin: converged after 3 iterations.
- iteration 49: trace = 0.0008163905174485772 (6.12454% change)
+ iteration 49: trace = 0.0008163905685662359 (6.12454% change)
linmin: converged after 4 iterations.
- iteration 50: trace = 0.0007981007096165986 (2.26571% change)
+ iteration 50: trace = 0.0007981007599205427 (2.26571% change)
linmin: converged after 4 iterations.
- iteration 51: trace = 0.0007920805724629956 (0.757164% change)
+ iteration 51: trace = 0.0007920806225007862 (0.757164% change)
linmin: converged after 4 iterations.
- iteration 52: trace = 0.0007831093301004699 (1.13907% change)
- large trace change predicted (2.68697%)
+ iteration 52: trace = 0.0007831093799742166 (1.13907% change)
+ large trace change predicted (2.68696%)
linmin: converged after 3 iterations.
- iteration 53: trace = 0.000761528135426248 (2.79434% change)
+ iteration 53: trace = 0.0007615281851118769 (2.79434% change)
linmin: converged after 4 iterations.
- iteration 54: trace = 0.0007452605624350398 (2.15924% change)
+ iteration 54: trace = 0.0007452606118040261 (2.15924% change)
linmin: converged after 4 iterations.
- iteration 55: trace = 0.0007399617659225152 (0.713536% change)
+ iteration 55: trace = 0.0007399618151306663 (0.713536% change)
linmin: converged after 4 iterations.
- iteration 56: trace = 0.0007354447431366061 (0.612309% change)
+ iteration 56: trace = 0.0007354447922588109 (0.612309% change)
large trace change predicted (1.82266%)
linmin: converged after 4 iterations.
- iteration 57: trace = 0.0007218264872609612 (1.86901% change)
+ iteration 57: trace = 0.000721826536302999 (1.86901% change)
linmin: converged after 3 iterations.
- iteration 58: trace = 0.0006978561395677295 (3.37686% change)
+ iteration 58: trace = 0.0006978561882555626 (3.37686% change)
linmin: converged after 4 iterations.
- iteration 59: trace = 0.0006862155723300258 (1.68208% change)
+ iteration 59: trace = 0.0006862156206211374 (1.68208% change)
linmin: converged after 4 iterations.
- iteration 60: trace = 0.0006814083599369329 (0.703002% change)
+ iteration 60: trace = 0.0006814084080539918 (0.703002% change)
linmin: converged after 4 iterations.
- iteration 61: trace = 0.0006741503650176685 (1.07085% change)
+ iteration 61: trace = 0.0006741504129753939 (1.07085% change)
linmin: converged after 4 iterations.
- iteration 62: trace = 0.0006599992435064616 (2.12137% change)
+ iteration 62: trace = 0.000659999290976045 (2.12137% change)
linmin: converged after 4 iterations.
- iteration 63: trace = 0.0006513435801790412 (1.32012% change)
+ iteration 63: trace = 0.0006513436270981244 (1.32012% change)
linmin: converged after 4 iterations.
- iteration 64: trace = 0.0006488234338593133 (0.387665% change)
+ iteration 64: trace = 0.0006488234806263591 (0.387665% change)
linmin: converged after 4 iterations.
- iteration 65: trace = 0.0006469457745291533 (0.289814% change)
+ iteration 65: trace = 0.0006469458213069393 (0.289814% change)
large trace change predicted (0.810595%)
linmin: converged after 4 iterations.
- iteration 66: trace = 0.0006416678038498573 (0.81917% change)
+ iteration 66: trace = 0.0006416678507865772 (0.81917% change)
linmin: converged after 4 iterations.
- iteration 67: trace = 0.0006315481335459715 (1.58962% change)
+ iteration 67: trace = 0.0006315481801294535 (1.58962% change)
linmin: converged after 4 iterations.
- iteration 68: trace = 0.0006260133434824635 (0.880242% change)
+ iteration 68: trace = 0.0006260133894910059 (0.880242% change)
linmin: converged after 4 iterations.
- iteration 69: trace = 0.0006237060186849304 (0.369255% change)
+ iteration 69: trace = 0.0006237060645473944 (0.369255% change)
resetting CG direction...
linmin: converged after 3 iterations.
- iteration 70: trace = 0.0006229820238752668 (0.116147% change)
+ iteration 70: trace = 0.0006229820697264652 (0.116147% change)
large trace change predicted (0.609708%)
linmin: converged after 3 iterations.
- iteration 71: trace = 0.000619185975240027 (0.611197% change)
+ iteration 71: trace = 0.0006191860209966898 (0.611197% change)
large trace change predicted (1.75539%)
linmin: converged after 3 iterations.
- iteration 72: trace = 0.000608334214180028 (1.76808% change)
+ iteration 72: trace = 0.0006083342490959136 (1.76808% change)
linmin: converged after 3 iterations.
- iteration 73: trace = 0.0006039816199266593 (0.718063% change)
+ iteration 73: trace = 0.0006039816651693376 (0.718061% change)
linmin: converged after 3 iterations.
- iteration 74: trace = 0.0005953484819626666 (1.43966% change)
+ iteration 74: trace = 0.0005953484401947215 (1.43967% change)
linmin: converged after 3 iterations.
- iteration 75: trace = 0.0005790995314258247 (2.76708% change)
+ iteration 75: trace = 0.0005790995758180866 (2.76706% change)
linmin: converged after 4 iterations.
- iteration 76: trace = 0.0005636612320257452 (2.70193% change)
+ iteration 76: trace = 0.0005636612735800872 (2.70193% change)
linmin: converged after 2 iterations.
- iteration 77: trace = 0.0005632764663985446 (0.0682852% change)
- large trace change predicted (0.152933%)
+ iteration 77: trace = 0.0005632765099694987 (0.0682848% change)
+ large trace change predicted (0.152934%)
linmin: converged after 3 iterations.
- iteration 78: trace = 0.0005624156431369534 (0.152941% change)
- large trace change predicted (0.911933%)
+ iteration 78: trace = 0.0005624156809985814 (0.152942% change)
+ large trace change predicted (0.911932%)
linmin: converged after 3 iterations.
- iteration 79: trace = 0.0005573059832628463 (0.912666% change)
+ iteration 79: trace = 0.0005573060269179165 (0.912665% change)
linmin: converged after 3 iterations.
- iteration 80: trace = 0.0005534005750334278 (0.70323% change)
+ iteration 80: trace = 0.000553400616087157 (0.70323% change)
linmin: converged after 3 iterations.
- iteration 81: trace = 0.00055274427599954 (0.118664% change)
+ iteration 81: trace = 0.0005527443191087428 (0.118664% change)
linmin: converged after 3 iterations.
- iteration 82: trace = 0.0005523218980174362 (0.0764439% change)
+ iteration 82: trace = 0.000552321941088286 (0.0764439% change)
linmin: converged after 3 iterations.
- iteration 83: trace = 0.0005515157998726197 (0.146054% change)
+ iteration 83: trace = 0.0005515158430655318 (0.146054% change)
large trace change predicted (0.4562%)
linmin: converged after 3 iterations.
- iteration 84: trace = 0.0005490273906202861 (0.452215% change)
+ iteration 84: trace = 0.0005490274322695059 (0.452215% change)
linmin: converged after 3 iterations.
- iteration 85: trace = 0.0005486973062606488 (0.0601397% change)
+ iteration 85: trace = 0.0005486973491229925 (0.0601395% change)
linmin: converged after 3 iterations.
- iteration 86: trace = 0.0005485468194065228 (0.02743% change)
+ iteration 86: trace = 0.0005485468627374394 (0.0274299% change)
large trace change predicted (0.104833%)
linmin: converged after 3 iterations.
- iteration 87: trace = 0.0005479724554569566 (0.104761% change)
+ iteration 87: trace = 0.000547972498211812 (0.104761% change)
linmin: converged after 2 iterations.
- iteration 88: trace = 0.0005475043874774154 (0.0854547% change)
+ iteration 88: trace = 0.0005475044292061455 (0.0854548% change)
linmin: converged after 2 iterations.
- iteration 89: trace = 0.0005473523294807735 (0.0277768% change)
+ iteration 89: trace = 0.0005473523724161047 (0.0277766% change)
linmin: converged after 2 iterations.
- iteration 90: trace = 0.0005472797076870569 (0.0132687% change)
+ iteration 90: trace = 0.0005472797511647959 (0.0132686% change)
large trace change predicted (0.180542%)
linmin: converged after 4 iterations.
- iteration 91: trace = 0.0005462877992637638 (0.181408% change)
+ iteration 91: trace = 0.0005462878420903345 (0.181408% change)
linmin: converged after 2 iterations.
- iteration 92: trace = 0.0005461204284860174 (0.0306425% change)
+ iteration 92: trace = 0.0005461204693934086 (0.0306429% change)
linmin: converged after 2 iterations.
- iteration 93: trace = 0.0005458502535363965 (0.0494839% change)
+ iteration 93: trace = 0.0005458502963198951 (0.0494836% change)
linmin: converged after 2 iterations.
- iteration 94: trace = 0.0005457795521222682 (0.0129534% change)
- large trace change predicted (0.0900911%)
+ iteration 94: trace = 0.0005457795958192028 (0.0129532% change)
+ large trace change predicted (0.0900913%)
linmin: converged after 3 iterations.
- iteration 95: trace = 0.0005452879398776338 (0.0901158% change)
+ iteration 95: trace = 0.0005452879826597424 (0.090116% change)
linmin: converged after 2 iterations.
- iteration 96: trace = 0.0005451433198611155 (0.0265253% change)
- large trace change predicted (0.0932212%)
+ iteration 96: trace = 0.0005451433594185627 (0.0265259% change)
+ large trace change predicted (0.0932206%)
linmin: converged after 2 iterations.
- iteration 97: trace = 0.0005446350610887845 (0.0932775% change)
+ iteration 97: trace = 0.0005446351038603798 (0.0932769% change)
linmin: converged after 2 iterations.
- iteration 98: trace = 0.000544624438164947 (0.00195049% change)
+ iteration 98: trace = 0.0005446244809478326 (0.00195048% change)
large trace change predicted (0.0828769%)
linmin: converged after 3 iterations.
- iteration 99: trace = 0.0005441708252562894 (0.0833238% change)
+ iteration 99: trace = 0.000544170867685768 (0.0833239% change)
linmin: converged after 2 iterations.
- iteration 100: trace = 0.000544155958915407 (0.00273196% change)
- large trace change predicted (0.0234908%)
+ iteration 100: trace = 0.0005441560011641659 (0.002732% change)
+ large trace change predicted (0.0234907%)
linmin: converged after 2 iterations.
- iteration 101: trace = 0.0005440279380228253 (0.0235293% change)
+ iteration 101: trace = 0.0005440279807565414 (0.0235292% change)
linmin: converged after 2 iterations.
- iteration 102: trace = 0.0005440224436552551 (0.00100995% change)
+ iteration 102: trace = 0.0005440224863450129 (0.00100996% change)
large trace change predicted (0.0204396%)
linmin: converged after 2 iterations.
- iteration 103: trace = 0.0005439111758877257 (0.0204549% change)
+ iteration 103: trace = 0.0005439112184851628 (0.0204549% change)
linmin: converged after 2 iterations.
- iteration 104: trace = 0.0005439049303812264 (0.00114827% change)
+ iteration 104: trace = 0.0005439049728337337 (0.00114829% change)
large trace change predicted (0.011884%)
linmin: converged after 3 iterations.
- iteration 105: trace = 0.0005438403048495797 (0.0118825% change)
+ iteration 105: trace = 0.0005438403475057928 (0.0118824% change)
linmin: converged after 2 iterations.
- iteration 106: trace = 0.0005438366903992418 (0.000664618% change)
+ iteration 106: trace = 0.0005438367330668095 (0.000664616% change)
large trace change predicted (0.0154665%)
linmin: converged after 3 iterations.
- iteration 107: trace = 0.000543752654461827 (0.0154536% change)
+ iteration 107: trace = 0.0005437526970877011 (0.0154536% change)
linmin: converged after 2 iterations.
- iteration 108: trace = 0.0005437508689527801 (0.000328368% change)
+ iteration 108: trace = 0.0005437509115470904 (0.000328374% change)
large trace change predicted (0.011514%)
linmin: converged after 3 iterations.
- iteration 109: trace = 0.0005436882857253549 (0.0115102% change)
+ iteration 109: trace = 0.000543688328493036 (0.0115102% change)
linmin: converged after 2 iterations.
- iteration 110: trace = 0.000543684890476973 (0.000624486% change)
- large trace change predicted (0.00985789%)
+ iteration 110: trace = 0.0005436849331146804 (0.00062451% change)
+ large trace change predicted (0.00985792%)
linmin: converged after 2 iterations.
- iteration 111: trace = 0.0005436312612632965 (0.00986451% change)
+ iteration 111: trace = 0.00054363130372977 (0.00986454% change)
linmin: converged after 2 iterations.
- iteration 112: trace = 0.0005436281807409389 (0.000566658% change)
- large trace change predicted (0.00213148%)
+ iteration 112: trace = 0.0005436282233598913 (0.00056663% change)
+ large trace change predicted (0.00213147%)
linmin: converged after 2 iterations.
- iteration 113: trace = 0.000543616591628237 (0.00213183% change)
+ iteration 113: trace = 0.0005436166343019083 (0.00213182% change)
linmin: converged after 2 iterations.
- iteration 114: trace = 0.0005436156048902152 (0.000181514% change)
- large trace change predicted (0.0028618%)
+ iteration 114: trace = 0.0005436156475184242 (0.000181522% change)
+ large trace change predicted (0.00286181%)
linmin: converged after 2 iterations.
- iteration 115: trace = 0.0005436000468416936 (0.002862% change)
+ iteration 115: trace = 0.0005436000893744547 (0.00286202% change)
linmin: converged after 2 iterations.
- iteration 116: trace = 0.0005435987076421373 (0.000246358% change)
- large trace change predicted (0.000702186%)
+ iteration 116: trace = 0.0005435987502667062 (0.000246341% change)
+ large trace change predicted (0.00070217%)
linmin: converged after 2 iterations.
- iteration 117: trace = 0.0005435948906151827 (0.00070218% change)
+ iteration 117: trace = 0.000543594933324994 (0.000702164% change)
linmin: converged after 2 iterations.
- iteration 118: trace = 0.0005435929921312011 (0.000349247% change)
- large trace change predicted (0.000866577%)
+ iteration 118: trace = 0.0005435930347529551 (0.000349263% change)
+ large trace change predicted (0.000866591%)
linmin: converged after 2 iterations.
- iteration 119: trace = 0.0005435882815001127 (0.000866577% change)
+ iteration 119: trace = 0.0005435883240475034 (0.000866591% change)
linmin: converged after 2 iterations.
- iteration 120: trace = 0.0005435871105991721 (0.000215402% change)
- large trace change predicted (0.000869541%)
+ iteration 120: trace = 0.0005435871532213428 (0.000215389% change)
+ large trace change predicted (0.000869521%)
linmin: converged after 2 iterations.
- iteration 121: trace = 0.0005435823838934027 (0.000869543% change)
+ iteration 121: trace = 0.0005435824266276365 (0.000869523% change)
linmin: converged after 2 iterations.
- iteration 122: trace = 0.0005435803690114208 (0.000370668% change)
+ iteration 122: trace = 0.0005435804116347921 (0.000370688% change)
linmin: converged after 2 iterations.
- iteration 123: trace = 0.0005435791307631939 (0.000227795% change)
+ iteration 123: trace = 0.0005435791733245793 (0.000227807% change)
linmin: converged after 2 iterations.
- iteration 124: trace = 0.0005435777689746245 (0.000250523% change)
+ iteration 124: trace = 0.0005435778115970969 (0.000250512% change)
linmin: converged after 2 iterations.
- iteration 125: trace = 0.0005435751707260391 (0.000477991% change)
+ iteration 125: trace = 0.0005435752134200393 (0.000477978% change)
linmin: converged after 2 iterations.
- iteration 126: trace = 0.0005435739679067277 (0.00022128% change)
+ iteration 126: trace = 0.0005435740105292077 (0.000221293% change)
linmin: converged after 2 iterations.
- iteration 127: trace = 0.0005435737252640443 (4.46384e-05% change)
- large trace change predicted (0.000217277%)
+ iteration 127: trace = 0.0005435737678652137 (4.46423e-05% change)
+ large trace change predicted (0.000217273%)
linmin: converged after 2 iterations.
- iteration 128: trace = 0.0005435725442399476 (0.000217271% change)
+ iteration 128: trace = 0.0005435725868624793 (0.000217267% change)
linmin: converged after 2 iterations.
- iteration 129: trace = 0.0005435724752420875 (1.26934e-05% change)
- large trace change predicted (0.000125578%)
+ iteration 129: trace = 0.0005435725178691449 (1.26926e-05% change)
+ large trace change predicted (0.000125579%)
linmin: converged after 2 iterations.
- iteration 130: trace = 0.000543571792640621 (0.000125577% change)
+ iteration 130: trace = 0.0005435718352625699 (0.000125578% change)
linmin: converged after 2 iterations.
- iteration 131: trace = 0.0005435717814305401 (2.0623e-06% change)
- large trace change predicted (1.96196e-05%)
+ iteration 131: trace = 0.0005435718240520626 (2.06238e-06% change)
+ large trace change predicted (1.96195e-05%)
linmin: converged after 2 iterations.
- iteration 132: trace = 0.0005435716747838638 (1.96196e-05% change)
+ iteration 132: trace = 0.0005435717174059902 (1.96195e-05% change)
linmin: converged after 2 iterations.
- iteration 133: trace = 0.0005435716602874839 (2.66688e-06% change)
- large trace change predicted (4.27176e-05%)
+ iteration 133: trace = 0.0005435717029106299 (2.66669e-06% change)
+ large trace change predicted (4.27178e-05%)
linmin: converged after 2 iterations.
- iteration 134: trace = 0.0005435714280874962 (4.27175e-05% change)
+ iteration 134: trace = 0.0005435714707094334 (4.27177e-05% change)
linmin: converged after 2 iterations.
- iteration 135: trace = 0.0005435714166124248 (2.11105e-06% change)
- large trace change predicted (2.06104e-05%)
+ iteration 135: trace = 0.0005435714592337781 (2.11116e-06% change)
+ large trace change predicted (2.06103e-05%)
linmin: converged after 2 iterations.
- iteration 136: trace = 0.0005435713045803726 (2.06104e-05% change)
+ iteration 136: trace = 0.0005435713472024276 (2.06102e-05% change)
linmin: converged after 2 iterations.
- iteration 137: trace = 0.0005435712951288903 (1.73878e-06% change)
- large trace change predicted (2.10131e-05%)
+ iteration 137: trace = 0.0005435713377516353 (1.73865e-06% change)
+ large trace change predicted (2.10132e-05%)
linmin: converged after 2 iterations.
- iteration 138: trace = 0.0005435711809078232 (2.10131e-05% change)
+ iteration 138: trace = 0.0005435712235298028 (2.10132e-05% change)
linmin: converged after 2 iterations.
- iteration 139: trace = 0.0005435711770990963 (7.00686e-07% change)
+ iteration 139: trace = 0.0005435712197209093 (7.00717e-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: 1.630974292755127
-total elapsed time for run: 1.6567769050598145
+elapsed time for k point: 4.916609287261963
+total elapsed time for run: 4.96333122253418
done
Initializing eigensolver data
Computing 1 bands with 1e-08 tolerance
@@ -70456,326 +70475,326 @@
Initializing fields to random numbers...
1 k-points
Vector3<0.5, 0.5, 0.0>
-elapsed time for initialization: 0.029718875885009766
+elapsed time for initialization: 0.05732321739196777
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 = 0.01396282863185967 (199.998% change)
+ iteration 1: trace = 0.01396282863191972 (199.998% change)
linmin: converged after 7 iterations.
- iteration 2: trace = 0.01327661774833224 (5.03836% change)
+ iteration 2: trace = 0.01327661774820582 (5.03836% change)
linmin: converged after 5 iterations.
- iteration 3: trace = 0.01313475705841226 (1.07424% change)
+ iteration 3: trace = 0.01313475705921867 (1.07424% change)
near maximum in trace
linmin: converged after 6 iterations.
- iteration 4: trace = 0.01142848206141128 (13.8929% change)
+ iteration 4: trace = 0.0114284820601211 (13.8929% change)
linmin: converged after 8 iterations.
- iteration 5: trace = 0.0105745914587231 (7.76156% change)
+ iteration 5: trace = 0.01057459146038172 (7.76156% change)
linmin: converged after 6 iterations.
- iteration 6: trace = 0.0101254999134157 (4.33903% change)
+ iteration 6: trace = 0.01012549991920006 (4.33903% change)
linmin: converged after 6 iterations.
- iteration 7: trace = 0.009886881709701506 (2.38471% change)
+ iteration 7: trace = 0.009886881715103948 (2.38471% change)
linmin: converged after 8 iterations.
- iteration 8: trace = 0.008866172549101381 (10.8858% change)
+ iteration 8: trace = 0.008866172559988101 (10.8858% change)
linmin: converged after 6 iterations.
- iteration 9: trace = 0.008540877157839653 (3.73751% change)
+ iteration 9: trace = 0.008540877170779771 (3.73751% change)
linmin: converged after 4 iterations.
- iteration 10: trace = 0.008362498787756292 (2.11057% change)
+ iteration 10: trace = 0.008362498806993695 (2.11056% change)
large trace change predicted (6.02681%)
linmin: converged after 8 iterations.
- iteration 11: trace = 0.007124056920432608 (15.9938% change)
+ iteration 11: trace = 0.00712405694737991 (15.9938% change)
linmin: converged after 5 iterations.
- iteration 12: trace = 0.006890108024926639 (3.33875% change)
+ iteration 12: trace = 0.006890108051136173 (3.33875% change)
linmin: converged after 5 iterations.
- iteration 13: trace = 0.006697796618362754 (2.83063% change)
+ iteration 13: trace = 0.006697796647897047 (2.83063% change)
linmin: converged after 8 iterations.
- iteration 14: trace = 0.005932474462820255 (12.1189% change)
+ iteration 14: trace = 0.005932474498651875 (12.1189% change)
linmin: converged after 5 iterations.
- iteration 15: trace = 0.005760215664354896 (2.94644% change)
+ iteration 15: trace = 0.005760215701241404 (2.94644% change)
linmin: converged after 5 iterations.
- iteration 16: trace = 0.005429156702961628 (5.91738% change)
+ iteration 16: trace = 0.005429156740656219 (5.91738% change)
linmin: converged after 6 iterations.
- iteration 17: trace = 0.004623726896251719 (16.0239% change)
+ iteration 17: trace = 0.0046237269309487 (16.0239% change)
linmin: converged after 4 iterations.
- iteration 18: trace = 0.004483952612336179 (3.06937% change)
+ iteration 18: trace = 0.004483952645940373 (3.06937% change)
linmin: converged after 3 iterations.
- iteration 19: trace = 0.004429612815687704 (1.21926% change)
+ iteration 19: trace = 0.004429612849637454 (1.21926% change)
large trace change predicted (8.67783%)
linmin: converged after 6 iterations.
- iteration 20: trace = 0.003789077305098401 (15.5873% change)
+ iteration 20: trace = 0.00378907733911895 (15.5873% change)
linmin: converged after 6 iterations.
- iteration 21: trace = 0.003338025632710932 (12.6574% change)
+ iteration 21: trace = 0.003338025666280661 (12.6574% change)
linmin: converged after 3 iterations.
- iteration 22: trace = 0.003278987412972769 (1.78444% change)
+ iteration 22: trace = 0.003278987446412594 (1.78444% change)
linmin: converged after 5 iterations.
- iteration 23: trace = 0.003149820574125448 (4.01838% change)
+ iteration 23: trace = 0.003149820606566866 (4.01838% change)
linmin: converged after 6 iterations.
- iteration 24: trace = 0.002848331479516706 (10.0527% change)
+ iteration 24: trace = 0.002848331511886508 (10.0527% change)
linmin: converged after 4 iterations.
- iteration 25: trace = 0.002770456662601979 (2.77194% change)
+ iteration 25: trace = 0.002770456695460308 (2.77194% change)
linmin: converged after 3 iterations.
- iteration 26: trace = 0.002733517960519107 (1.34226% change)
+ iteration 26: trace = 0.002733517993166782 (1.34226% change)
large trace change predicted (6.7119%)
linmin: converged after 5 iterations.
- iteration 27: trace = 0.00249541863440773 (9.10699% change)
+ iteration 27: trace = 0.002495418664506267 (9.10699% change)
linmin: converged after 6 iterations.
- iteration 28: trace = 0.002090277716031493 (17.6698% change)
+ iteration 28: trace = 0.002090277746202956 (17.6698% change)
linmin: converged after 4 iterations.
- iteration 29: trace = 0.001989520858154074 (4.93931% change)
+ iteration 29: trace = 0.001989520888821057 (4.93931% change)
linmin: converged after 3 iterations.
- iteration 30: trace = 0.001963871567932314 (1.29758% change)
+ iteration 30: trace = 0.001963871598315264 (1.29758% change)
large trace change predicted (3.47594%)
linmin: converged after 4 iterations.
- iteration 31: trace = 0.001888954606964787 (3.88894% change)
+ iteration 31: trace = 0.001888954636072926 (3.88894% change)
linmin: converged after 5 iterations.
- iteration 32: trace = 0.001749742176070534 (7.65177% change)
+ iteration 32: trace = 0.001749742206433316 (7.65177% change)
linmin: converged after 3 iterations.
- iteration 33: trace = 0.001703401480554153 (2.68397% change)
+ iteration 33: trace = 0.001703401511977219 (2.68397% change)
linmin: converged after 3 iterations.
- iteration 34: trace = 0.001678658538789076 (1.46319% change)
+ iteration 34: trace = 0.001678658569900026 (1.46319% change)
large trace change predicted (5.18144%)
linmin: converged after 4 iterations.
- iteration 35: trace = 0.001580381790441264 (6.03102% change)
+ iteration 35: trace = 0.00158038181903199 (6.03102% change)
linmin: converged after 5 iterations.
- iteration 36: trace = 0.001385927730520019 (13.1108% change)
+ iteration 36: trace = 0.001385927759958251 (13.1108% change)
linmin: converged after 4 iterations.
- iteration 37: trace = 0.001312106672370231 (5.47221% change)
+ iteration 37: trace = 0.001312106703421751 (5.47221% change)
linmin: converged after 3 iterations.
- iteration 38: trace = 0.001288217043449629 (1.83743% change)
+ iteration 38: trace = 0.001288217074223725 (1.83743% change)
linmin: converged after 3 iterations.
- iteration 39: trace = 0.001244812774042486 (3.42706% change)
+ iteration 39: trace = 0.001244812802907718 (3.42706% change)
linmin: converged after 4 iterations.
- iteration 40: trace = 0.001167068483765795 (6.44678% change)
+ iteration 40: trace = 0.001167068511293832 (6.44678% change)
linmin: converged after 3 iterations.
- iteration 41: trace = 0.001133684434178517 (2.90201% change)
+ iteration 41: trace = 0.001133684462043659 (2.90201% change)
linmin: converged after 4 iterations.
- iteration 42: trace = 0.001122485542989582 (0.992735% change)
+ iteration 42: trace = 0.001122485570880647 (0.992735% change)
linmin: converged after 3 iterations.
- iteration 43: trace = 0.001101592535747345 (1.8788% change)
+ iteration 43: trace = 0.001101592563315935 (1.8788% change)
large trace change predicted (5.3706%)
linmin: converged after 4 iterations.
- iteration 44: trace = 0.001037151646856844 (6.02605% change)
+ iteration 44: trace = 0.001037151673681686 (6.02605% change)
linmin: converged after 4 iterations.
- iteration 45: trace = 0.0009842870679438447 (5.23039% change)
+ iteration 45: trace = 0.000984287094551253 (5.23039% change)
linmin: converged after 3 iterations.
- iteration 46: trace = 0.0009678995681967128 (1.67889% change)
+ iteration 46: trace = 0.0009678995947534663 (1.67889% change)
linmin: converged after 4 iterations.
- iteration 47: trace = 0.0009546160172788697 (1.38189% change)
+ iteration 47: trace = 0.000954616043814449 (1.38189% change)
large trace change predicted (3.80118%)
linmin: converged after 3 iterations.
- iteration 48: trace = 0.000916747039961763 (4.04721% change)
+ iteration 48: trace = 0.0009167470664848677 (4.04721% change)
linmin: converged after 3 iterations.
- iteration 49: trace = 0.0008643207411316604 (5.88706% change)
+ iteration 49: trace = 0.0008643207672006787 (5.88706% change)
linmin: converged after 3 iterations.
- iteration 50: trace = 0.000845315910739186 (2.22326% change)
+ iteration 50: trace = 0.0008453159364075107 (2.22326% change)
linmin: converged after 4 iterations.
- iteration 51: trace = 0.0008390202664902233 (0.747552% change)
+ iteration 51: trace = 0.0008390202919889473 (0.747552% change)
linmin: converged after 4 iterations.
- iteration 52: trace = 0.0008298050946925792 (1.10439% change)
+ iteration 52: trace = 0.0008298051200206901 (1.10439% change)
large trace change predicted (2.55833%)
linmin: converged after 3 iterations.
- iteration 53: trace = 0.0008080190305708065 (2.66037% change)
+ iteration 53: trace = 0.0008080190557798996 (2.66037% change)
linmin: converged after 4 iterations.
- iteration 54: trace = 0.00079162854181852 (2.04926% change)
+ iteration 54: trace = 0.0007916285670272648 (2.04926% change)
linmin: converged after 4 iterations.
- iteration 55: trace = 0.0007862346521403004 (0.683695% change)
+ iteration 55: trace = 0.0007862346773187763 (0.683695% change)
linmin: converged after 4 iterations.
- iteration 56: trace = 0.0007816219005136344 (0.588415% change)
+ iteration 56: trace = 0.0007816219256371879 (0.588415% change)
large trace change predicted (1.73592%)
linmin: converged after 4 iterations.
- iteration 57: trace = 0.0007678304581465391 (1.78017% change)
+ iteration 57: trace = 0.0007678304831481996 (1.78017% change)
linmin: converged after 3 iterations.
- iteration 58: trace = 0.0007435387605412753 (3.21453% change)
+ iteration 58: trace = 0.0007435387853656353 (3.21453% change)
linmin: converged after 4 iterations.
- iteration 59: trace = 0.0007315946250854298 (1.6194% change)
+ iteration 59: trace = 0.0007315946497581579 (1.6194% change)
linmin: converged after 4 iterations.
- iteration 60: trace = 0.0007266202261531445 (0.682259% change)
+ iteration 60: trace = 0.0007266202507324377 (0.682259% change)
linmin: converged after 4 iterations.
- iteration 61: trace = 0.0007191450877924227 (1.03407% change)
+ iteration 61: trace = 0.0007191451122354838 (1.03407% change)
linmin: converged after 4 iterations.
- iteration 62: trace = 0.0007044525736362298 (2.06414% change)
+ iteration 62: trace = 0.0007044525977504645 (2.06414% change)
linmin: converged after 4 iterations.
- iteration 63: trace = 0.0006952825101851143 (1.31026% change)
+ iteration 63: trace = 0.0006952825340002982 (1.31026% change)
linmin: converged after 4 iterations.
- iteration 64: trace = 0.0006926243302519913 (0.383049% change)
+ iteration 64: trace = 0.0006926243539879241 (0.383049% change)
linmin: converged after 4 iterations.
- iteration 65: trace = 0.0006907570224824894 (0.269963% change)
+ iteration 65: trace = 0.0006907570462254813 (0.269963% change)
large trace change predicted (0.737695%)
linmin: converged after 4 iterations.
- iteration 66: trace = 0.0006856288435497712 (0.745166% change)
+ iteration 66: trace = 0.0006856288673857626 (0.745166% change)
large trace change predicted (1.50311%)
linmin: converged after 4 iterations.
- iteration 67: trace = 0.0006751904863054357 (1.53413% change)
+ iteration 67: trace = 0.0006751905099784166 (1.53413% change)
linmin: converged after 4 iterations.
- iteration 68: trace = 0.000669088687421683 (0.907817% change)
+ iteration 68: trace = 0.0006690887107596064 (0.907817% change)
linmin: converged after 4 iterations.
- iteration 69: trace = 0.0006666308209190745 (0.368021% change)
+ iteration 69: trace = 0.0006666308441649182 (0.368021% change)
resetting CG direction...
linmin: converged after 3 iterations.
- iteration 70: trace = 0.0006658947431497208 (0.110479% change)
+ iteration 70: trace = 0.000665894766388288 (0.110479% change)
large trace change predicted (0.583051%)
linmin: converged after 3 iterations.
- iteration 71: trace = 0.0006620147732805265 (0.584373% change)
+ iteration 71: trace = 0.0006620147964764045 (0.584373% change)
linmin: converged after 3 iterations.
- iteration 72: trace = 0.0006593874122261623 (0.397663% change)
+ iteration 72: trace = 0.0006593874374268467 (0.397662% change)
large trace change predicted (1.97433%)
linmin: converged after 3 iterations.
- iteration 73: trace = 0.0006463944240491453 (1.99007% change)
+ iteration 73: trace = 0.0006463944470279967 (1.99007% change)
linmin: converged after 3 iterations.
- iteration 74: trace = 0.0006439167738414215 (0.384039% change)
+ iteration 74: trace = 0.0006439167969047001 (0.384039% change)
large trace change predicted (3.60299%)
linmin: converged after 3 iterations.
- iteration 75: trace = 0.0006208046743833662 (3.65489% change)
+ iteration 75: trace = 0.0006208046970247754 (3.65489% change)
linmin: converged after 4 iterations.
- iteration 76: trace = 0.0006051224092766447 (2.55843% change)
+ iteration 76: trace = 0.0006051224312603996 (2.55843% change)
linmin: converged after 2 iterations.
- iteration 77: trace = 0.0006040729301268874 (0.173583% change)
+ iteration 77: trace = 0.0006040729522161915 (0.173583% change)
linmin: converged after 3 iterations.
- iteration 78: trace = 0.0006035815539733843 (0.0813769% change)
+ iteration 78: trace = 0.0006035815759967994 (0.081377% change)
large trace change predicted (0.878809%)
linmin: converged after 3 iterations.
- iteration 79: trace = 0.0005982971533915254 (0.879357% change)
+ iteration 79: trace = 0.0005982971756216459 (0.879357% change)
linmin: converged after 3 iterations.
- iteration 80: trace = 0.0005936478594285522 (0.780119% change)
+ iteration 80: trace = 0.0005936478812236439 (0.780119% change)
linmin: converged after 3 iterations.
- iteration 81: trace = 0.0005932851018423737 (0.0611252% change)
+ iteration 81: trace = 0.0005932851237795748 (0.0611252% change)
large trace change predicted (0.129434%)
linmin: converged after 3 iterations.
- iteration 82: trace = 0.0005925185855030427 (0.129282% change)
+ iteration 82: trace = 0.0005925186070021892 (0.129282% change)
linmin: converged after 3 iterations.
- iteration 83: trace = 0.00059196003377382 (0.0943118% change)
+ iteration 83: trace = 0.0005919600556577167 (0.0943118% change)
large trace change predicted (0.482135%)
linmin: converged after 3 iterations.
- iteration 84: trace = 0.0005891395482870437 (0.477603% change)
+ iteration 84: trace = 0.0005891395700540513 (0.477603% change)
linmin: converged after 3 iterations.
- iteration 85: trace = 0.0005890400906086922 (0.0168833% change)
+ iteration 85: trace = 0.0005890401124208378 (0.0168833% change)
large trace change predicted (0.0998023%)
linmin: converged after 3 iterations.
- iteration 86: trace = 0.0005884530451308513 (0.0997111% change)
+ iteration 86: trace = 0.0005884530666234435 (0.0997111% change)
linmin: converged after 3 iterations.
- iteration 87: trace = 0.0005882459056956921 (0.0352069% change)
+ iteration 87: trace = 0.0005882459274655951 (0.0352068% change)
large trace change predicted (0.114927%)
linmin: converged after 4 iterations.
- iteration 88: trace = 0.0005875693433606549 (0.11508% change)
+ iteration 88: trace = 0.000587569365086292 (0.11508% change)
linmin: converged after 2 iterations.
- iteration 89: trace = 0.000587543283532003 (0.00443529% change)
+ iteration 89: trace = 0.0005875433052722463 (0.00443529% change)
large trace change predicted (0.146911%)
linmin: converged after 4 iterations.
- iteration 90: trace = 0.0005866772914158684 (0.147501% change)
+ iteration 90: trace = 0.000586677312479834 (0.147501% change)
linmin: converged after 4 iterations.
- iteration 91: trace = 0.0005863761995034629 (0.0513347% change)
+ iteration 91: trace = 0.0005863762211877365 (0.0513346% change)
linmin: converged after 4 iterations.
- iteration 92: trace = 0.0005859485209182793 (0.0729625% change)
+ iteration 92: trace = 0.0005859485425554373 (0.0729625% change)
linmin: converged after 2 iterations.
- iteration 93: trace = 0.0005859110691555368 (0.00639185% change)
+ iteration 93: trace = 0.0005859110908195298 (0.00639185% change)
large trace change predicted (0.101499%)
linmin: converged after 3 iterations.
- iteration 94: trace = 0.0005853164403279337 (0.101539% change)
+ iteration 94: trace = 0.0005853164619594189 (0.101539% change)
linmin: converged after 2 iterations.
- iteration 95: trace = 0.0005852989725401113 (0.00298438% change)
+ iteration 95: trace = 0.0005852989941774052 (0.00298438% change)
large trace change predicted (0.116394%)
linmin: converged after 2 iterations.
- iteration 96: trace = 0.0005846175436137281 (0.116492% change)
+ iteration 96: trace = 0.0005846175651494939 (0.116492% change)
linmin: converged after 2 iterations.
- iteration 97: trace = 0.0005845742773228976 (0.00740106% change)
+ iteration 97: trace = 0.0005845742989223471 (0.00740105% change)
large trace change predicted (0.0708106%)
linmin: converged after 3 iterations.
- iteration 98: trace = 0.0005841585760057476 (0.0711371% change)
+ iteration 98: trace = 0.0005841585976180495 (0.0711371% change)
linmin: converged after 2 iterations.
- iteration 99: trace = 0.000584138895070905 (0.00336917% change)
+ iteration 99: trace = 0.0005841389166808024 (0.00336917% change)
large trace change predicted (0.0329036%)
linmin: converged after 2 iterations.
- iteration 100: trace = 0.0005839462455993263 (0.0329855% change)
+ iteration 100: trace = 0.0005839462671582482 (0.0329855% change)
linmin: converged after 2 iterations.
- iteration 101: trace = 0.0005839312708413394 (0.00256444% change)
+ iteration 101: trace = 0.0005839312924220045 (0.00256444% change)
large trace change predicted (0.020159%)
linmin: converged after 2 iterations.
- iteration 102: trace = 0.0005838134763641139 (0.0201747% change)
+ iteration 102: trace = 0.0005838134979407572 (0.0201747% change)
linmin: converged after 2 iterations.
- iteration 103: trace = 0.0005837926761916925 (0.00356287% change)
+ iteration 103: trace = 0.0005837926977464793 (0.00356288% change)
large trace change predicted (0.0112663%)
linmin: converged after 3 iterations.
- iteration 104: trace = 0.0005837269107374333 (0.0112658% change)
+ iteration 104: trace = 0.000583726932305375 (0.0112658% change)
linmin: converged after 2 iterations.
- iteration 105: trace = 0.0005837235112543789 (0.000582377% change)
+ iteration 105: trace = 0.0005837235328225389 (0.000582377% change)
large trace change predicted (0.0172364%)
linmin: converged after 3 iterations.
- iteration 106: trace = 0.0005836230152130138 (0.0172179% change)
+ iteration 106: trace = 0.0005836230367732215 (0.0172179% change)
linmin: converged after 2 iterations.
- iteration 107: trace = 0.0005836125618292835 (0.00179114% change)
+ iteration 107: trace = 0.0005836125833710618 (0.00179114% change)
large trace change predicted (0.0105648%)
linmin: converged after 3 iterations.
- iteration 108: trace = 0.0005835509247703784 (0.0105619% change)
+ iteration 108: trace = 0.0005835509463284342 (0.0105619% change)
linmin: converged after 2 iterations.
- iteration 109: trace = 0.0005835489219978633 (0.000343205% change)
+ iteration 109: trace = 0.000583548943557194 (0.000343205% change)
large trace change predicted (0.0100451%)
linmin: converged after 2 iterations.
- iteration 110: trace = 0.0005834902614464862 (0.0100529% change)
+ iteration 110: trace = 0.0005834902830011508 (0.0100529% change)
linmin: converged after 2 iterations.
- iteration 111: trace = 0.0005834861728487699 (0.000700716% change)
+ iteration 111: trace = 0.0005834861943973631 (0.000700717% change)
large trace change predicted (0.00228227%)
linmin: converged after 2 iterations.
- iteration 112: trace = 0.0005834728536184104 (0.00228272% change)
+ iteration 112: trace = 0.0005834728751719849 (0.00228272% change)
linmin: converged after 2 iterations.
- iteration 113: trace = 0.0005834693335156781 (0.000603304% change)
+ iteration 113: trace = 0.0005834693550789713 (0.000603302% change)
large trace change predicted (0.00250098%)
linmin: converged after 2 iterations.
- iteration 114: trace = 0.0005834547408249953 (0.00250105% change)
+ iteration 114: trace = 0.0005834547623777847 (0.00250105% change)
linmin: converged after 2 iterations.
- iteration 115: trace = 0.0005834540189343517 (0.000123727% change)
+ iteration 115: trace = 0.0005834540404858172 (0.000123727% change)
large trace change predicted (0.000981181%)
linmin: converged after 2 iterations.
- iteration 116: trace = 0.0005834482943557169 (0.000981158% change)
+ iteration 116: trace = 0.0005834483159081694 (0.000981158% change)
linmin: converged after 2 iterations.
- iteration 117: trace = 0.0005834430685521981 (0.00089568% change)
+ iteration 117: trace = 0.0005834430901088519 (0.000895679% change)
linmin: converged after 2 iterations.
- iteration 118: trace = 0.0005834414246136493 (0.000281765% change)
+ iteration 118: trace = 0.000583441446165329 (0.000281766% change)
linmin: converged after 2 iterations.
- iteration 119: trace = 0.000583440021815303 (0.000240435% change)
+ iteration 119: trace = 0.0005834400433656973 (0.000240436% change)
large trace change predicted (0.00122504%)
linmin: converged after 2 iterations.
- iteration 120: trace = 0.0005834328742578728 (0.00122508% change)
+ iteration 120: trace = 0.0005834328958088951 (0.00122508% change)
linmin: converged after 2 iterations.
- iteration 121: trace = 0.0005834306782744242 (0.000376391% change)
+ iteration 121: trace = 0.0005834306998253411 (0.000376391% change)
linmin: converged after 2 iterations.
- iteration 122: trace = 0.0005834302085139139 (8.0517e-05% change)
- large trace change predicted (0.000409963%)
+ iteration 122: trace = 0.000583430230064665 (8.0517e-05% change)
+ large trace change predicted (0.000409962%)
linmin: converged after 2 iterations.
- iteration 123: trace = 0.0005834278167548468 (0.000409949% change)
+ iteration 123: trace = 0.0005834278383109291 (0.000409948% change)
linmin: converged after 2 iterations.
- iteration 124: trace = 0.0005834254578601202 (0.000404317% change)
+ iteration 124: trace = 0.0005834254794106187 (0.000404318% change)
linmin: converged after 2 iterations.
- iteration 125: trace = 0.0005834241763966919 (0.000219645% change)
+ iteration 125: trace = 0.0005834241979465319 (0.000219645% change)
linmin: converged after 2 iterations.
- iteration 126: trace = 0.0005834238920162862 (4.87433e-05% change)
+ iteration 126: trace = 0.0005834239135666888 (4.87432e-05% change)
linmin: converged after 2 iterations.
- iteration 127: trace = 0.0005834234814189031 (7.03772e-05% change)
+ iteration 127: trace = 0.0005834235029711146 (7.03769e-05% change)
linmin: converged after 2 iterations.
- iteration 128: trace = 0.0005834229276800435 (9.4912e-05% change)
+ iteration 128: trace = 0.0005834229492303538 (9.49124e-05% change)
linmin: converged after 2 iterations.
- iteration 129: trace = 0.000583422777757594 (2.5697e-05% change)
+ iteration 129: trace = 0.0005834227993077964 (2.56971e-05% change)
linmin: converged after 2 iterations.
- iteration 130: trace = 0.0005834227469414697 (5.28195e-06% change)
- large trace change predicted (3.57129e-05%)
+ iteration 130: trace = 0.00058342276849174 (5.28194e-06% change)
+ large trace change predicted (3.57128e-05%)
linmin: converged after 2 iterations.
- iteration 131: trace = 0.0005834225385851272 (3.57128e-05% change)
+ iteration 131: trace = 0.0005834225601355878 (3.57127e-05% change)
linmin: converged after 2 iterations.
- iteration 132: trace = 0.0005834225079959275 (5.24306e-06% change)
+ iteration 132: trace = 0.0005834225295461926 (5.24309e-06% change)
large trace change predicted (2.86351e-05%)
linmin: converged after 2 iterations.
- iteration 133: trace = 0.0005834223409330843 (2.8635e-05% change)
+ iteration 133: trace = 0.0005834223624832906 (2.8635e-05% change)
linmin: converged after 2 iterations.
- iteration 134: trace = 0.0005834223248947772 (2.749e-06% change)
+ iteration 134: trace = 0.000583422346445021 (2.749e-06% change)
large trace change predicted (2.51074e-05%)
linmin: converged after 2 iterations.
- iteration 135: trace = 0.0005834221784127051 (2.51074e-05% change)
+ iteration 135: trace = 0.0005834221999629322 (2.51074e-05% change)
linmin: converged after 2 iterations.
- iteration 136: trace = 0.0005834221738396828 (7.83827e-07% change)
+ iteration 136: trace = 0.0005834221953899253 (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: 1.8153607845306396
-total elapsed time for run: 1.845226526260376
+elapsed time for k point: 9.258405447006226
+total elapsed time for run: 9.315921306610107
done
Initializing eigensolver data
Computing 1 bands with 1e-08 tolerance
@@ -70855,332 +70874,332 @@
Initializing fields to random numbers...
1 k-points
Vector3<0.5, 0.5, 0.0>
-elapsed time for initialization: 0.01345968246459961
+elapsed time for initialization: 0.05364346504211426
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 = 0.01396271777790272 (199.998% change)
+ iteration 1: trace = 0.01396271777790268 (199.998% change)
linmin: converged after 7 iterations.
- iteration 2: trace = 0.01327684378988524 (5.03587% change)
+ iteration 2: trace = 0.01327684378988518 (5.03587% change)
linmin: converged after 5 iterations.
- iteration 3: trace = 0.01313325505801595 (1.08738% change)
+ iteration 3: trace = 0.01313325505801615 (1.08738% change)
near maximum in trace
linmin: converged after 6 iterations.
- iteration 4: trace = 0.01143107373108091 (13.859% change)
+ iteration 4: trace = 0.01143107373108108 (13.859% change)
linmin: converged after 8 iterations.
- iteration 5: trace = 0.01057169177208885 (7.81158% change)
+ iteration 5: trace = 0.01057169177208894 (7.81158% change)
linmin: converged after 6 iterations.
- iteration 6: trace = 0.01011490408591771 (4.41627% change)
+ iteration 6: trace = 0.01011490408591372 (4.41627% change)
linmin: converged after 6 iterations.
- iteration 7: trace = 0.009876993404033396 (2.38007% change)
+ iteration 7: trace = 0.009876993404015133 (2.38007% change)
linmin: converged after 8 iterations.
- iteration 8: trace = 0.008846068607940587 (11.0124% change)
+ iteration 8: trace = 0.008846068607896451 (11.0124% change)
linmin: converged after 6 iterations.
- iteration 9: trace = 0.008517042221060056 (3.78995% change)
+ iteration 9: trace = 0.008517042221037384 (3.78995% change)
linmin: converged after 5 iterations.
- iteration 10: trace = 0.008326268739073096 (2.26527% change)
+ iteration 10: trace = 0.008326268739036802 (2.26527% change)
large trace change predicted (6.09955%)
linmin: converged after 8 iterations.
- iteration 11: trace = 0.007074915363396836 (16.2501% change)
+ iteration 11: trace = 0.00707491536331146 (16.2501% change)
linmin: converged after 5 iterations.
- iteration 12: trace = 0.006842447679414089 (3.34069% change)
+ iteration 12: trace = 0.006842447679345932 (3.34069% change)
linmin: converged after 5 iterations.
- iteration 13: trace = 0.006644462857372367 (2.93596% change)
+ iteration 13: trace = 0.006644462857291975 (2.93596% change)
linmin: converged after 8 iterations.
- iteration 14: trace = 0.005865808909841453 (12.4482% change)
+ iteration 14: trace = 0.005865808909859432 (12.4482% change)
linmin: converged after 5 iterations.
- iteration 15: trace = 0.00569096440608213 (3.02584% change)
+ iteration 15: trace = 0.005690964406135154 (3.02584% change)
linmin: converged after 5 iterations.
- iteration 16: trace = 0.005359509169240911 (5.99893% change)
+ iteration 16: trace = 0.005359509169257815 (5.99893% change)
linmin: converged after 6 iterations.
- iteration 17: trace = 0.004560608209893305 (16.1067% change)
+ iteration 17: trace = 0.004560608209853334 (16.1067% change)
linmin: converged after 4 iterations.
- iteration 18: trace = 0.004423220918162126 (3.05855% change)
+ iteration 18: trace = 0.004423220918100116 (3.05855% change)
linmin: converged after 3 iterations.
- iteration 19: trace = 0.00436809876742301 (1.25401% change)
+ iteration 19: trace = 0.004368098767370809 (1.25401% change)
large trace change predicted (8.81704%)
linmin: converged after 6 iterations.
- iteration 20: trace = 0.003725892430833046 (15.8687% change)
+ iteration 20: trace = 0.003725892430871452 (15.8687% change)
linmin: converged after 6 iterations.
- iteration 21: trace = 0.00327651752727828 (12.8349% change)
+ iteration 21: trace = 0.003276517527282185 (12.8349% change)
linmin: converged after 3 iterations.
- iteration 22: trace = 0.003217890899184164 (1.80545% change)
+ iteration 22: trace = 0.003217890899178432 (1.80545% change)
linmin: converged after 5 iterations.
- iteration 23: trace = 0.003089917728414731 (4.05761% change)
+ iteration 23: trace = 0.003089917728431033 (4.05761% change)
linmin: converged after 6 iterations.
- iteration 24: trace = 0.002789089266636267 (10.234% change)
+ iteration 24: trace = 0.002789089266631641 (10.234% change)
linmin: converged after 4 iterations.
- iteration 25: trace = 0.002710905815916347 (2.84304% change)
+ iteration 25: trace = 0.002710905815890919 (2.84304% change)
linmin: converged after 3 iterations.
- iteration 26: trace = 0.002674218653000225 (1.36254% change)
+ iteration 26: trace = 0.002674218652981606 (1.36254% change)
large trace change predicted (6.80505%)
linmin: converged after 5 iterations.
- iteration 27: trace = 0.002438971014403337 (9.2016% change)
+ iteration 27: trace = 0.002438971014462638 (9.2016% change)
linmin: converged after 6 iterations.
- iteration 28: trace = 0.00203418982681894 (18.0982% change)
+ iteration 28: trace = 0.002034189826864542 (18.0982% change)
linmin: converged after 4 iterations.
- iteration 29: trace = 0.001933181583129513 (5.09195% change)
+ iteration 29: trace = 0.001933181583146438 (5.09195% change)
linmin: converged after 3 iterations.
- iteration 30: trace = 0.001907998976145633 (1.31119% change)
+ iteration 30: trace = 0.001907998976159604 (1.31119% change)
large trace change predicted (3.49571%)
linmin: converged after 4 iterations.
- iteration 31: trace = 0.001834919993043693 (3.90492% change)
+ iteration 31: trace = 0.001834919993063269 (3.90492% change)
linmin: converged after 5 iterations.
- iteration 32: trace = 0.001694173476495419 (7.97636% change)
+ iteration 32: trace = 0.001694173476510432 (7.97636% change)
linmin: converged after 3 iterations.
- iteration 33: trace = 0.001646416286550433 (2.85921% change)
+ iteration 33: trace = 0.001646416286560637 (2.85921% change)
linmin: converged after 3 iterations.
- iteration 34: trace = 0.00162212353838028 (1.48646% change)
+ iteration 34: trace = 0.001622123538393179 (1.48646% change)
large trace change predicted (5.19533%)
linmin: converged after 4 iterations.
- iteration 35: trace = 0.001527366074293748 (6.01732% change)
+ iteration 35: trace = 0.001527366074325336 (6.01732% change)
linmin: converged after 5 iterations.
- iteration 36: trace = 0.001331717884162799 (13.6861% change)
+ iteration 36: trace = 0.00133171788420354 (13.6861% change)
linmin: converged after 4 iterations.
- iteration 37: trace = 0.001255606316193439 (5.88342% change)
+ iteration 37: trace = 0.001255606316228162 (5.88342% change)
linmin: converged after 3 iterations.
- iteration 38: trace = 0.001232184805791781 (1.88292% change)
+ iteration 38: trace = 0.001232184805823635 (1.88292% change)
linmin: converged after 3 iterations.
- iteration 39: trace = 0.001191709709360204 (3.33967% change)
+ iteration 39: trace = 0.001191709709386529 (3.33967% change)
linmin: converged after 4 iterations.
- iteration 40: trace = 0.00111623543338231 (6.54039% change)
+ iteration 40: trace = 0.001116235433399129 (6.54039% change)
linmin: converged after 3 iterations.
- iteration 41: trace = 0.001082435949633795 (3.07454% change)
+ iteration 41: trace = 0.001082435949647599 (3.07454% change)
linmin: converged after 4 iterations.
- iteration 42: trace = 0.001071218450357667 (1.04172% change)
+ iteration 42: trace = 0.001071218450371559 (1.04172% change)
linmin: converged after 3 iterations.
- iteration 43: trace = 0.001050833573696028 (1.92124% change)
+ iteration 43: trace = 0.001050833573711885 (1.92124% change)
large trace change predicted (5.53279%)
linmin: converged after 4 iterations.
- iteration 44: trace = 0.000987654075200929 (6.19866% change)
+ iteration 44: trace = 0.0009876540752187157 (6.19866% change)
linmin: converged after 4 iterations.
- iteration 45: trace = 0.0009353335329052125 (5.44159% change)
+ iteration 45: trace = 0.0009353335329191517 (5.44159% change)
linmin: converged after 3 iterations.
- iteration 46: trace = 0.0009190905772408482 (1.75181% change)
+ iteration 46: trace = 0.0009190905772535928 (1.75181% change)
linmin: converged after 4 iterations.
- iteration 47: trace = 0.0009058436032251132 (1.45178% change)
+ iteration 47: trace = 0.0009058436032386659 (1.45178% change)
large trace change predicted (4.00783%)
linmin: converged after 3 iterations.
- iteration 48: trace = 0.0008679705371473983 (4.27024% change)
+ iteration 48: trace = 0.0008679705371639546 (4.27024% change)
linmin: converged after 3 iterations.
- iteration 49: trace = 0.0008163908944839804 (6.12453% change)
+ iteration 49: trace = 0.0008163908944991696 (6.12453% change)
linmin: converged after 4 iterations.
- iteration 50: trace = 0.000798101081069695 (2.26571% change)
+ iteration 50: trace = 0.0007981010810829556 (2.26571% change)
linmin: converged after 4 iterations.
- iteration 51: trace = 0.000792080942015712 (0.757164% change)
+ iteration 51: trace = 0.0007920809420285585 (0.757164% change)
linmin: converged after 4 iterations.
- iteration 52: trace = 0.0007831096983221053 (1.13907% change)
+ iteration 52: trace = 0.0007831096983349729 (1.13907% change)
large trace change predicted (2.68696%)
linmin: converged after 3 iterations.
- iteration 53: trace = 0.0007615285021463531 (2.79434% change)
+ iteration 53: trace = 0.0007615285021586937 (2.79434% change)
linmin: converged after 4 iterations.
- iteration 54: trace = 0.0007452609270883194 (2.15924% change)
+ iteration 54: trace = 0.0007452609270992502 (2.15924% change)
linmin: converged after 4 iterations.
- iteration 55: trace = 0.0007399621294902495 (0.713536% change)
+ iteration 55: trace = 0.0007399621295006832 (0.713536% change)
linmin: converged after 4 iterations.
- iteration 56: trace = 0.0007354451060370818 (0.612309% change)
+ iteration 56: trace = 0.0007354451060474361 (0.612309% change)
large trace change predicted (1.82266%)
linmin: converged after 4 iterations.
- iteration 57: trace = 0.0007218268493208867 (1.86901% change)
+ iteration 57: trace = 0.0007218268493318061 (1.86901% change)
linmin: converged after 3 iterations.
- iteration 58: trace = 0.0006978564988970681 (3.37686% change)
+ iteration 58: trace = 0.0006978564989097587 (3.37686% change)
linmin: converged after 4 iterations.
- iteration 59: trace = 0.0006862159288384622 (1.68208% change)
+ iteration 59: trace = 0.0006862159288520401 (1.68208% change)
linmin: converged after 4 iterations.
- iteration 60: trace = 0.0006814087151783378 (0.703002% change)
+ iteration 60: trace = 0.0006814087151919372 (0.703002% change)
linmin: converged after 4 iterations.
- iteration 61: trace = 0.0006741507190322297 (1.07085% change)
+ iteration 61: trace = 0.0006741507190451401 (1.07085% change)
linmin: converged after 4 iterations.
- iteration 62: trace = 0.000659999593990964 (2.12137% change)
+ iteration 62: trace = 0.0006599995940020362 (2.12137% change)
linmin: converged after 4 iterations.
- iteration 63: trace = 0.0006513439268060546 (1.32012% change)
+ iteration 63: trace = 0.0006513439268160724 (1.32012% change)
linmin: converged after 4 iterations.
- iteration 64: trace = 0.0006488237794177938 (0.387665% change)
+ iteration 64: trace = 0.0006488237794276031 (0.387665% change)
linmin: converged after 4 iterations.
- iteration 65: trace = 0.0006469461201474936 (0.289814% change)
+ iteration 65: trace = 0.0006469461201572879 (0.289814% change)
large trace change predicted (0.810595%)
linmin: converged after 4 iterations.
- iteration 66: trace = 0.0006416681505262758 (0.81917% change)
+ iteration 66: trace = 0.0006416681505362096 (0.81917% change)
linmin: converged after 4 iterations.
- iteration 67: trace = 0.0006315484776250485 (1.58962% change)
+ iteration 67: trace = 0.0006315484776349438 (1.58962% change)
linmin: converged after 4 iterations.
- iteration 68: trace = 0.0006260136834478266 (0.880242% change)
+ iteration 68: trace = 0.0006260136834575379 (0.880242% change)
linmin: converged after 4 iterations.
- iteration 69: trace = 0.0006237063575923773 (0.369255% change)
+ iteration 69: trace = 0.0006237063576020632 (0.369255% change)
resetting CG direction...
linmin: converged after 3 iterations.
- iteration 70: trace = 0.0006229823626952816 (0.116147% change)
+ iteration 70: trace = 0.0006229823627049681 (0.116147% change)
large trace change predicted (0.609708%)
linmin: converged after 3 iterations.
- iteration 71: trace = 0.0006191863133616069 (0.611197% change)
+ iteration 71: trace = 0.0006191863133713059 (0.611197% change)
large trace change predicted (1.7554%)
linmin: converged after 3 iterations.
- iteration 72: trace = 0.0006083344730580587 (1.76809% change)
+ iteration 72: trace = 0.0006083344730560348 (1.76809% change)
linmin: converged after 3 iterations.
- iteration 73: trace = 0.0006039819543628497 (0.71805% change)
+ iteration 73: trace = 0.0006039819543703536 (0.71805% change)
linmin: converged after 3 iterations.
- iteration 74: trace = 0.0005953481798910976 (1.43977% change)
+ iteration 74: trace = 0.0005953481798126799 (1.43977% change)
linmin: converged after 3 iterations.
- iteration 75: trace = 0.0005790998596877415 (2.76697% change)
+ iteration 75: trace = 0.0005790998596931895 (2.76697% change)
linmin: converged after 4 iterations.
- iteration 76: trace = 0.0005636615393331692 (2.70193% change)
+ iteration 76: trace = 0.0005636615393384122 (2.70193% change)
linmin: converged after 2 iterations.
- iteration 77: trace = 0.0005632767884665681 (0.0682825% change)
+ iteration 77: trace = 0.0005632767884742088 (0.0682825% change)
large trace change predicted (0.15294%)
linmin: converged after 3 iterations.
- iteration 78: trace = 0.0005624159234190719 (0.152948% change)
+ iteration 78: trace = 0.0005624159234211975 (0.152948% change)
large trace change predicted (0.911925%)
linmin: converged after 3 iterations.
- iteration 79: trace = 0.0005573063060359069 (0.912658% change)
+ iteration 79: trace = 0.0005573063060419916 (0.912658% change)
linmin: converged after 3 iterations.
- iteration 80: trace = 0.0005534008786385157 (0.703233% change)
+ iteration 80: trace = 0.0005534008786441685 (0.703233% change)
linmin: converged after 3 iterations.
- iteration 81: trace = 0.0005527445946466324 (0.118661% change)
+ iteration 81: trace = 0.0005527445946543162 (0.118661% change)
linmin: converged after 3 iterations.
- iteration 82: trace = 0.0005523222163898547 (0.0764439% change)
+ iteration 82: trace = 0.0005523222163979377 (0.0764439% change)
linmin: converged after 3 iterations.
- iteration 83: trace = 0.0005515161191466685 (0.146053% change)
+ iteration 83: trace = 0.0005515161191542267 (0.146053% change)
large trace change predicted (0.456202%)
linmin: converged after 3 iterations.
- iteration 84: trace = 0.0005490276985879651 (0.452217% change)
+ iteration 84: trace = 0.0005490276985936896 (0.452217% change)
linmin: converged after 3 iterations.
- iteration 85: trace = 0.000548697623110483 (0.0601381% change)
+ iteration 85: trace = 0.0005486976231178065 (0.0601381% change)
linmin: converged after 3 iterations.
- iteration 86: trace = 0.0005485471396821204 (0.0274293% change)
+ iteration 86: trace = 0.000548547139690023 (0.0274293% change)
large trace change predicted (0.104834%)
linmin: converged after 3 iterations.
- iteration 87: trace = 0.0005479727715095822 (0.104762% change)
+ iteration 87: trace = 0.0005479727715169625 (0.104762% change)
linmin: converged after 2 iterations.
- iteration 88: trace = 0.0005475046960192314 (0.085456% change)
+ iteration 88: trace = 0.0005475046960250568 (0.085456% change)
linmin: converged after 2 iterations.
- iteration 89: trace = 0.0005473526468567757 (0.0277752% change)
+ iteration 89: trace = 0.0005473526468642252 (0.0277752% change)
linmin: converged after 2 iterations.
- iteration 90: trace = 0.0005472800290293612 (0.013268% change)
+ iteration 90: trace = 0.0005472800290374552 (0.013268% change)
large trace change predicted (0.180543%)
linmin: converged after 4 iterations.
- iteration 91: trace = 0.0005462881158297369 (0.181409% change)
+ iteration 91: trace = 0.0005462881158373021 (0.181409% change)
linmin: converged after 2 iterations.
- iteration 92: trace = 0.0005461207310050715 (0.0306451% change)
+ iteration 92: trace = 0.0005461207310099491 (0.0306451% change)
linmin: converged after 2 iterations.
- iteration 93: trace = 0.000545850569783267 (0.0494814% change)
+ iteration 93: trace = 0.000545850569790862 (0.0494814% change)
linmin: converged after 2 iterations.
- iteration 94: trace = 0.0005457798750513594 (0.0129521% change)
+ iteration 94: trace = 0.0005457798750599606 (0.0129521% change)
large trace change predicted (0.0900923%)
linmin: converged after 3 iterations.
- iteration 95: trace = 0.0005452882561203112 (0.090117% change)
+ iteration 95: trace = 0.0005452882561277402 (0.090117% change)
linmin: converged after 2 iterations.
- iteration 96: trace = 0.0005451436124974445 (0.0265296% change)
+ iteration 96: trace = 0.0005451436125004581 (0.0265296% change)
large trace change predicted (0.0932169%)
linmin: converged after 2 iterations.
- iteration 97: trace = 0.0005446353772469695 (0.0932731% change)
+ iteration 97: trace = 0.000544635377254499 (0.0932731% change)
linmin: converged after 2 iterations.
- iteration 98: trace = 0.0005446247544056486 (0.00195047% change)
+ iteration 98: trace = 0.0005446247544131938 (0.00195047% change)
large trace change predicted (0.0828773%)
linmin: converged after 3 iterations.
- iteration 99: trace = 0.0005441711389092806 (0.0833242% change)
+ iteration 99: trace = 0.0005441711389165505 (0.0833242% change)
linmin: converged after 2 iterations.
- iteration 100: trace = 0.0005441562712456721 (0.0027322% change)
+ iteration 100: trace = 0.0005441562712526624 (0.0027322% change)
large trace change predicted (0.0234901%)
linmin: converged after 2 iterations.
- iteration 101: trace = 0.0005440282539033368 (0.0235286% change)
+ iteration 101: trace = 0.0005440282539108269 (0.0235286% change)
linmin: converged after 2 iterations.
- iteration 102: trace = 0.0005440227592140726 (0.00101001% change)
+ iteration 102: trace = 0.0005440227592215187 (0.00101001% change)
large trace change predicted (0.0204397%)
linmin: converged after 2 iterations.
- iteration 103: trace = 0.0005439114907695426 (0.020455% change)
+ iteration 103: trace = 0.000543911490776917 (0.020455% change)
linmin: converged after 2 iterations.
- iteration 104: trace = 0.000543905244202147 (0.00114846% change)
+ iteration 104: trace = 0.0005439052442093183 (0.00114846% change)
large trace change predicted (0.0118837%)
linmin: converged after 3 iterations.
- iteration 105: trace = 0.0005438406201617806 (0.0118822% change)
+ iteration 105: trace = 0.0005438406201691981 (0.0118822% change)
linmin: converged after 2 iterations.
- iteration 106: trace = 0.0005438370057943893 (0.000664603% change)
+ iteration 106: trace = 0.0005438370058018202 (0.000664603% change)
large trace change predicted (0.0154666%)
linmin: converged after 3 iterations.
- iteration 107: trace = 0.0005437529695511694 (0.0154537% change)
+ iteration 107: trace = 0.0005437529695585424 (0.0154537% change)
linmin: converged after 2 iterations.
- iteration 108: trace = 0.0005437511838110207 (0.000328411% change)
+ iteration 108: trace = 0.0005437511838183545 (0.000328411% change)
large trace change predicted (0.0115138%)
linmin: converged after 3 iterations.
- iteration 109: trace = 0.0005436886018522329 (0.01151% change)
+ iteration 109: trace = 0.0005436886018597631 (0.01151% change)
linmin: converged after 2 iterations.
- iteration 110: trace = 0.0005436852056529515 (0.000624661% change)
+ iteration 110: trace = 0.0005436852056603425 (0.000624661% change)
large trace change predicted (0.00985811%)
linmin: converged after 2 iterations.
- iteration 111: trace = 0.0005436315751854617 (0.00986474% change)
+ iteration 111: trace = 0.000543631575192658 (0.00986474% change)
linmin: converged after 2 iterations.
- iteration 112: trace = 0.0005436284957788854 (0.000566453% change)
+ iteration 112: trace = 0.0005436284957862889 (0.000566453% change)
large trace change predicted (0.0021314%)
linmin: converged after 2 iterations.
- iteration 113: trace = 0.0005436169070668722 (0.00213176% change)
+ iteration 113: trace = 0.0005436169070743091 (0.00213176% change)
linmin: converged after 2 iterations.
- iteration 114: trace = 0.000543615919996248 (0.000181575% change)
+ iteration 114: trace = 0.0005436159200036327 (0.000181575% change)
large trace change predicted (0.00286192%)
linmin: converged after 2 iterations.
- iteration 115: trace = 0.0005436003612492462 (0.00286213% change)
+ iteration 115: trace = 0.0005436003612565019 (0.00286213% change)
linmin: converged after 2 iterations.
- iteration 116: trace = 0.0005435990227215039 (0.000246234% change)
+ iteration 116: trace = 0.0005435990227288805 (0.000246234% change)
large trace change predicted (0.000702071%)
linmin: converged after 2 iterations.
- iteration 117: trace = 0.0005435952063180369 (0.000702065% change)
+ iteration 117: trace = 0.0005435952063255064 (0.000702065% change)
linmin: converged after 2 iterations.
- iteration 118: trace = 0.0005435933071898066 (0.000349365% change)
- large trace change predicted (0.000866676%)
+ iteration 118: trace = 0.0005435933071971904 (0.000349365% change)
+ large trace change predicted (0.000866677%)
linmin: converged after 2 iterations.
- iteration 119: trace = 0.00054358859601461 (0.000866677% change)
+ iteration 119: trace = 0.000543588596021889 (0.000866677% change)
linmin: converged after 2 iterations.
- iteration 120: trace = 0.0005435874256609328 (0.000215302% change)
+ iteration 120: trace = 0.000543587425668311 (0.000215302% change)
large trace change predicted (0.00086939%)
linmin: converged after 2 iterations.
- iteration 121: trace = 0.0005435826997748046 (0.000869392% change)
+ iteration 121: trace = 0.0005435826997823042 (0.000869392% change)
linmin: converged after 2 iterations.
- iteration 122: trace = 0.0005435806840818036 (0.000370817% change)
+ iteration 122: trace = 0.0005435806840891893 (0.000370817% change)
linmin: converged after 2 iterations.
- iteration 123: trace = 0.0005435794453798377 (0.000227878% change)
+ iteration 123: trace = 0.0005435794453871397 (0.000227878% change)
linmin: converged after 2 iterations.
- iteration 124: trace = 0.0005435780840383554 (0.000250441% change)
+ iteration 124: trace = 0.0005435780840457415 (0.000250441% change)
linmin: converged after 2 iterations.
- iteration 125: trace = 0.0005435754863130363 (0.000477895% change)
+ iteration 125: trace = 0.0005435754863204967 (0.000477895% change)
linmin: converged after 2 iterations.
- iteration 126: trace = 0.0005435742829705516 (0.000221376% change)
+ iteration 126: trace = 0.0005435742829779346 (0.000221376% change)
linmin: converged after 2 iterations.
- iteration 127: trace = 0.0005435740401718096 (4.46671e-05% change)
+ iteration 127: trace = 0.0005435740401791636 (4.46671e-05% change)
large trace change predicted (0.000217248%)
linmin: converged after 2 iterations.
- iteration 128: trace = 0.0005435728593041579 (0.000217242% change)
+ iteration 128: trace = 0.0005435728593115377 (0.000217242% change)
linmin: converged after 2 iterations.
- iteration 129: trace = 0.0005435727903393508 (1.26873e-05% change)
+ iteration 129: trace = 0.0005435727903467334 (1.26873e-05% change)
large trace change predicted (0.000125585%)
linmin: converged after 2 iterations.
- iteration 130: trace = 0.0005435721077005028 (0.000125584% change)
+ iteration 130: trace = 0.0005435721077078836 (0.000125584% change)
linmin: converged after 2 iterations.
- iteration 131: trace = 0.0005435720964873088 (2.06287e-06% change)
+ iteration 131: trace = 0.0005435720964946919 (2.06287e-06% change)
large trace change predicted (1.96188e-05%)
linmin: converged after 2 iterations.
- iteration 132: trace = 0.0005435719898450592 (1.96188e-05% change)
+ iteration 132: trace = 0.0005435719898524396 (1.96188e-05% change)
linmin: converged after 2 iterations.
- iteration 133: trace = 0.0005435719753561549 (2.6655e-06% change)
+ iteration 133: trace = 0.0005435719753635353 (2.6655e-06% change)
large trace change predicted (4.27192e-05%)
linmin: converged after 2 iterations.
- iteration 134: trace = 0.0005435717431473075 (4.27191e-05% change)
+ iteration 134: trace = 0.0005435717431546864 (4.27191e-05% change)
linmin: converged after 2 iterations.
- iteration 135: trace = 0.0005435717316679715 (2.11183e-06% change)
+ iteration 135: trace = 0.0005435717316753489 (2.11183e-06% change)
large trace change predicted (2.06095e-05%)
linmin: converged after 2 iterations.
- iteration 136: trace = 0.0005435716196410212 (2.06094e-05% change)
+ iteration 136: trace = 0.0005435716196483994 (2.06094e-05% change)
linmin: converged after 2 iterations.
- iteration 137: trace = 0.0005435716101946184 (1.73784e-06% change)
+ iteration 137: trace = 0.0005435716102019987 (1.73784e-06% change)
large trace change predicted (2.10141e-05%)
linmin: converged after 2 iterations.
- iteration 138: trace = 0.0005435714959679594 (2.10141e-05% change)
+ iteration 138: trace = 0.0005435714959753419 (2.10141e-05% change)
linmin: converged after 2 iterations.
- iteration 139: trace = 0.0005435714921580013 (7.00912e-07% change)
+ iteration 139: trace = 0.0005435714921653785 (7.00913e-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: 1.1609179973602295
-total elapsed time for run: 1.174536943435669
+elapsed time for k point: 5.774415493011475
+total elapsed time for run: 5.828240394592285
done
Initializing eigensolver data
Computing 1 bands with 1e-08 tolerance
@@ -71260,342 +71279,342 @@
Initializing fields to random numbers...
1 k-points
Vector3<0.5, 0.5, 0.0>
-elapsed time for initialization: 0.013791799545288086
+elapsed time for initialization: 0.056845903396606445
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 = 0.01396277298193044 (199.998% change)
+ iteration 1: trace = 0.01396277298196031 (199.998% change)
linmin: converged after 7 iterations.
- iteration 2: trace = 0.01327673301533037 (5.0371% change)
+ iteration 2: trace = 0.01327673301526952 (5.0371% change)
linmin: converged after 5 iterations.
- iteration 3: trace = 0.0131340065823002 (1.08082% change)
+ iteration 3: trace = 0.01313400658270512 (1.08082% change)
near maximum in trace
linmin: converged after 6 iterations.
- iteration 4: trace = 0.01142972906174647 (13.8764% change)
+ iteration 4: trace = 0.01142972906089904 (13.8764% change)
linmin: converged after 8 iterations.
- iteration 5: trace = 0.01057309468615556 (7.78659% change)
+ iteration 5: trace = 0.01057309468687932 (7.78659% change)
linmin: converged after 6 iterations.
- iteration 6: trace = 0.01012016037275556 (4.3776% change)
+ iteration 6: trace = 0.01012016037562604 (4.3776% change)
linmin: converged after 6 iterations.
- iteration 7: trace = 0.009881894697410781 (2.38241% change)
+ iteration 7: trace = 0.00988189470015354 (2.38241% change)
linmin: converged after 8 iterations.
- iteration 8: trace = 0.008856077201693171 (10.9491% change)
+ iteration 8: trace = 0.008856077207293008 (10.9491% change)
linmin: converged after 6 iterations.
- iteration 9: trace = 0.008528897105585187 (3.76394% change)
+ iteration 9: trace = 0.008528897112091316 (3.76394% change)
linmin: converged after 5 iterations.
- iteration 10: trace = 0.008344493537139449 (2.18573% change)
+ iteration 10: trace = 0.008344493547064824 (2.18573% change)
large trace change predicted (6.06381%)
linmin: converged after 8 iterations.
- iteration 11: trace = 0.007099225557790662 (16.1265% change)
+ iteration 11: trace = 0.007099225571348929 (16.1265% change)
linmin: converged after 5 iterations.
- iteration 12: trace = 0.006865992360834375 (3.3402% change)
+ iteration 12: trace = 0.006865992373916016 (3.3402% change)
linmin: converged after 5 iterations.
- iteration 13: trace = 0.006670707148711022 (2.88527% change)
+ iteration 13: trace = 0.006670707163359137 (2.88527% change)
linmin: converged after 8 iterations.
- iteration 14: trace = 0.005899156585908601 (12.2762% change)
+ iteration 14: trace = 0.005899156603844815 (12.2762% change)
linmin: converged after 5 iterations.
- iteration 15: trace = 0.005725769803554808 (2.98302% change)
+ iteration 15: trace = 0.005725769822090341 (2.98302% change)
linmin: converged after 5 iterations.
- iteration 16: trace = 0.005394233022473838 (5.96289% change)
+ iteration 16: trace = 0.005394233041198144 (5.96289% change)
linmin: converged after 6 iterations.
- iteration 17: trace = 0.004591812072306974 (16.0708% change)
+ iteration 17: trace = 0.004591812089426319 (16.0708% change)
linmin: converged after 4 iterations.
- iteration 18: trace = 0.004453132493966217 (3.06646% change)
+ iteration 18: trace = 0.004453132510518065 (3.06646% change)
linmin: converged after 3 iterations.
- iteration 19: trace = 0.004398441223102513 (1.23574% change)
+ iteration 19: trace = 0.00439844123983224 (1.23574% change)
large trace change predicted (8.74475%)
linmin: converged after 6 iterations.
- iteration 20: trace = 0.00375749804619481 (15.7172% change)
+ iteration 20: trace = 0.003757498063057178 (15.7172% change)
linmin: converged after 6 iterations.
- iteration 21: trace = 0.003307049608431147 (12.7524% change)
+ iteration 21: trace = 0.00330704962497418 (12.7524% change)
linmin: converged after 3 iterations.
- iteration 22: trace = 0.003248169178898424 (1.79644% change)
+ iteration 22: trace = 0.003248169195365587 (1.79644% change)
linmin: converged after 5 iterations.
- iteration 23: trace = 0.003119780792087666 (4.03233% change)
+ iteration 23: trace = 0.003119780808145288 (4.03233% change)
linmin: converged after 6 iterations.
- iteration 24: trace = 0.002818482749328674 (10.1477% change)
+ iteration 24: trace = 0.002818482765282546 (10.1477% change)
linmin: converged after 4 iterations.
- iteration 25: trace = 0.002740289448139258 (2.81333% change)
+ iteration 25: trace = 0.002740289464262866 (2.81333% change)
linmin: converged after 3 iterations.
- iteration 26: trace = 0.002703514620462402 (1.35107% change)
+ iteration 26: trace = 0.002703514636492719 (1.35107% change)
large trace change predicted (6.74778%)
linmin: converged after 5 iterations.
- iteration 27: trace = 0.002467359171340254 (9.13406% change)
+ iteration 27: trace = 0.002467359186283343 (9.13406% change)
linmin: converged after 6 iterations.
- iteration 28: trace = 0.00206225991818911 (17.8867% change)
+ iteration 28: trace = 0.002062259933119868 (17.8867% change)
linmin: converged after 4 iterations.
- iteration 29: trace = 0.001961187565261313 (5.02417% change)
+ iteration 29: trace = 0.001961187580392719 (5.02417% change)
linmin: converged after 3 iterations.
- iteration 30: trace = 0.001935785434790516 (1.30369% change)
+ iteration 30: trace = 0.001935785449801616 (1.30369% change)
large trace change predicted (3.47972%)
linmin: converged after 4 iterations.
- iteration 31: trace = 0.001861930131884017 (3.88946% change)
+ iteration 31: trace = 0.001861930146339076 (3.88946% change)
linmin: converged after 5 iterations.
- iteration 32: trace = 0.001721746440539104 (7.82346% change)
+ iteration 32: trace = 0.001721746455463286 (7.82346% change)
linmin: converged after 3 iterations.
- iteration 33: trace = 0.001674547840472606 (2.77942% change)
+ iteration 33: trace = 0.001674547855835646 (2.77942% change)
linmin: converged after 3 iterations.
- iteration 34: trace = 0.001650063387730005 (1.47292% change)
+ iteration 34: trace = 0.001650063402957579 (1.47292% change)
large trace change predicted (5.17495%)
linmin: converged after 4 iterations.
- iteration 35: trace = 0.001553854509801499 (6.0057% change)
+ iteration 35: trace = 0.001553854523947556 (6.0057% change)
linmin: converged after 5 iterations.
- iteration 36: trace = 0.001358699721755437 (13.4009% change)
+ iteration 36: trace = 0.001358699736245246 (13.4009% change)
linmin: converged after 4 iterations.
- iteration 37: trace = 0.001283533360390276 (5.68961% change)
+ iteration 37: trace = 0.001283533375593248 (5.68961% change)
linmin: converged after 3 iterations.
- iteration 38: trace = 0.001259889725910674 (1.8592% change)
+ iteration 38: trace = 0.001259889740991772 (1.8592% change)
linmin: converged after 3 iterations.
- iteration 39: trace = 0.001218118502169543 (3.37135% change)
+ iteration 39: trace = 0.001218118516413135 (3.37135% change)
linmin: converged after 4 iterations.
- iteration 40: trace = 0.001141570245456244 (6.488% change)
+ iteration 40: trace = 0.001141570259086005 (6.488% change)
linmin: converged after 3 iterations.
- iteration 41: trace = 0.001107914306451573 (2.99232% change)
+ iteration 41: trace = 0.001107914320236318 (2.99232% change)
linmin: converged after 4 iterations.
- iteration 42: trace = 0.001096696598318582 (1.01766% change)
+ iteration 42: trace = 0.001096696612114239 (1.01766% change)
linmin: converged after 3 iterations.
- iteration 43: trace = 0.001076085099834844 (1.89725% change)
+ iteration 43: trace = 0.001076085113472459 (1.89725% change)
large trace change predicted (5.44733%)
linmin: converged after 4 iterations.
- iteration 44: trace = 0.001012315847811798 (6.10699% change)
+ iteration 44: trace = 0.001012315861074462 (6.10699% change)
linmin: converged after 4 iterations.
- iteration 45: trace = 0.0009596843690857711 (5.33788% change)
+ iteration 45: trace = 0.000959684382235147 (5.33788% change)
linmin: converged after 3 iterations.
- iteration 46: trace = 0.0009433542238913189 (1.71622% change)
+ iteration 46: trace = 0.000943354237015166 (1.71622% change)
linmin: converged after 4 iterations.
- iteration 47: trace = 0.0009300901104504688 (1.41601% change)
+ iteration 47: trace = 0.0009300901235595421 (1.41601% change)
large trace change predicted (3.90141%)
linmin: converged after 3 iterations.
- iteration 48: trace = 0.00089222882172979 (4.15529% change)
+ iteration 48: trace = 0.0008922288348162437 (4.15529% change)
linmin: converged after 3 iterations.
- iteration 49: trace = 0.0008402236657553657 (6.00365% change)
+ iteration 49: trace = 0.0008402236786248237 (6.00365% change)
linmin: converged after 3 iterations.
- iteration 50: trace = 0.0008215818401916776 (2.24356% change)
+ iteration 50: trace = 0.0008215818528832003 (2.24356% change)
linmin: converged after 4 iterations.
- iteration 51: trace = 0.0008154335263502658 (0.751161% change)
+ iteration 51: trace = 0.0008154335389685196 (0.751161% change)
linmin: converged after 4 iterations.
- iteration 52: trace = 0.0008063589903628583 (1.11907% change)
+ iteration 52: trace = 0.0008063590029084615 (1.11907% change)
large trace change predicted (2.62064%)
linmin: converged after 3 iterations.
- iteration 53: trace = 0.0007846792731413529 (2.72523% change)
+ iteration 53: trace = 0.000784679285628749 (2.72523% change)
linmin: converged after 4 iterations.
- iteration 54: trace = 0.000768317837295277 (2.10708% change)
+ iteration 54: trace = 0.0007683178497659083 (2.10708% change)
linmin: converged after 4 iterations.
- iteration 55: trace = 0.0007629615120579575 (0.699588% change)
+ iteration 55: trace = 0.0007629615245081469 (0.699588% change)
linmin: converged after 4 iterations.
- iteration 56: trace = 0.0007583989589652365 (0.599799% change)
+ iteration 56: trace = 0.0007583989713872566 (0.599799% change)
large trace change predicted (1.77635%)
linmin: converged after 4 iterations.
- iteration 57: trace = 0.0007447092724235094 (1.82152% change)
+ iteration 57: trace = 0.0007447092847867087 (1.82152% change)
linmin: converged after 3 iterations.
- iteration 58: trace = 0.0007205764025318598 (3.29395% change)
+ iteration 58: trace = 0.0007205764148131018 (3.29395% change)
linmin: converged after 4 iterations.
- iteration 59: trace = 0.0007087748269204777 (1.65132% change)
+ iteration 59: trace = 0.0007087748391318638 (1.65132% change)
linmin: converged after 4 iterations.
- iteration 60: trace = 0.0007038858072162644 (0.692172% change)
+ iteration 60: trace = 0.0007038858193829798 (0.692172% change)
linmin: converged after 4 iterations.
- iteration 61: trace = 0.0006965316746020617 (1.05028% change)
+ iteration 61: trace = 0.0006965316867013873 (1.05028% change)
linmin: converged after 4 iterations.
- iteration 62: trace = 0.0006821310514575978 (2.08907% change)
+ iteration 62: trace = 0.000682131063403791 (2.08907% change)
linmin: converged after 4 iterations.
- iteration 63: trace = 0.0006732272384762677 (1.31387% change)
+ iteration 63: trace = 0.000673227250291219 (1.31387% change)
linmin: converged after 4 iterations.
- iteration 64: trace = 0.0006706397158021367 (0.385086% change)
+ iteration 64: trace = 0.0006706397275826058 (0.385086% change)
linmin: converged after 4 iterations.
- iteration 65: trace = 0.0006687664837587572 (0.279711% change)
+ iteration 65: trace = 0.000668766495541807 (0.279711% change)
large trace change predicted (0.773811%)
linmin: converged after 4 iterations.
- iteration 66: trace = 0.0006635582507514787 (0.781826% change)
+ iteration 66: trace = 0.0006635582625713897 (0.781826% change)
linmin: converged after 4 iterations.
- iteration 67: trace = 0.0006532764406302264 (1.56159% change)
+ iteration 67: trace = 0.0006532764523630681 (1.56159% change)
linmin: converged after 4 iterations.
- iteration 68: trace = 0.0006474716240992867 (0.892535% change)
+ iteration 68: trace = 0.0006474716356827301 (0.892535% change)
linmin: converged after 4 iterations.
- iteration 69: trace = 0.0006450938464760763 (0.367916% change)
+ iteration 69: trace = 0.0006450938580197538 (0.367916% change)
resetting CG direction...
linmin: converged after 3 iterations.
- iteration 70: trace = 0.0006443641242639965 (0.113183% change)
+ iteration 70: trace = 0.0006443641358044016 (0.113183% change)
large trace change predicted (0.596167%)
linmin: converged after 3 iterations.
- iteration 71: trace = 0.0006405250656691629 (0.59757% change)
+ iteration 71: trace = 0.000640525077187094 (0.59757% change)
linmin: converged after 3 iterations.
- iteration 72: trace = 0.0006341861310018571 (0.994568% change)
+ iteration 72: trace = 0.0006341861459371877 (0.994567% change)
linmin: converged after 3 iterations.
- iteration 73: trace = 0.0006251090508931411 (1.44161% change)
+ iteration 73: trace = 0.0006251090623055692 (1.44161% change)
linmin: converged after 3 iterations.
- iteration 74: trace = 0.0006222593592231807 (0.456913% change)
+ iteration 74: trace = 0.0006222593712666321 (0.456912% change)
large trace change predicted (3.61349%)
linmin: converged after 3 iterations.
- iteration 75: trace = 0.0005998530361937158 (3.66682% change)
+ iteration 75: trace = 0.000599853047422651 (3.66682% change)
linmin: converged after 4 iterations.
- iteration 76: trace = 0.0005843776608078627 (2.61357% change)
+ iteration 76: trace = 0.0005843776721892269 (2.61357% change)
linmin: converged after 2 iterations.
- iteration 77: trace = 0.0005836056777493907 (0.132191% change)
+ iteration 77: trace = 0.0005836056887256307 (0.132191% change)
linmin: converged after 3 iterations.
- iteration 78: trace = 0.0005831765035536832 (0.0735654% change)
+ iteration 78: trace = 0.0005831765145365822 (0.0735654% change)
large trace change predicted (0.940528%)
linmin: converged after 3 iterations.
- iteration 79: trace = 0.0005777134877799168 (0.941177% change)
+ iteration 79: trace = 0.0005777134988161396 (0.941177% change)
linmin: converged after 3 iterations.
- iteration 80: trace = 0.0005735210724651654 (0.728334% change)
+ iteration 80: trace = 0.0005735210833033399 (0.728334% change)
linmin: converged after 3 iterations.
- iteration 81: trace = 0.000572950170249479 (0.0995929% change)
+ iteration 81: trace = 0.0005729501811560183 (0.0995929% change)
linmin: converged after 3 iterations.
- iteration 82: trace = 0.0005724824548323525 (0.0816662% change)
+ iteration 82: trace = 0.0005724824656890279 (0.0816662% change)
linmin: converged after 3 iterations.
- iteration 83: trace = 0.0005716748702563557 (0.141167% change)
+ iteration 83: trace = 0.0005716748811385896 (0.141167% change)
large trace change predicted (0.473833%)
linmin: converged after 3 iterations.
- iteration 84: trace = 0.0005689973259428325 (0.469468% change)
+ iteration 84: trace = 0.0005689973367348973 (0.469468% change)
linmin: converged after 3 iterations.
- iteration 85: trace = 0.0005688164250848475 (0.031798% change)
+ iteration 85: trace = 0.0005688164359378014 (0.031798% change)
linmin: converged after 3 iterations.
- iteration 86: trace = 0.0005685240979241484 (0.0514054% change)
+ iteration 86: trace = 0.0005685241086948509 (0.0514054% change)
linmin: converged after 3 iterations.
- iteration 87: trace = 0.0005680601598486073 (0.0816373% change)
+ iteration 87: trace = 0.0005680601706818471 (0.0816372% change)
linmin: converged after 4 iterations.
- iteration 88: trace = 0.0005674452518002897 (0.108306% change)
+ iteration 88: trace = 0.0005674452625847519 (0.108306% change)
linmin: converged after 2 iterations.
- iteration 89: trace = 0.0005673892407550663 (0.00987123% change)
- large trace change predicted (0.046611%)
+ iteration 89: trace = 0.0005673892515685824 (0.00987122% change)
+ large trace change predicted (0.0466111%)
linmin: converged after 2 iterations.
- iteration 90: trace = 0.0005671245000603766 (0.0466703% change)
+ iteration 90: trace = 0.0005671245107265056 (0.0466704% change)
large trace change predicted (0.149567%)
linmin: converged after 4 iterations.
- iteration 91: trace = 0.0005662735233497347 (0.150164% change)
+ iteration 91: trace = 0.0005662735341356239 (0.150164% change)
linmin: converged after 4 iterations.
- iteration 92: trace = 0.0005659201234487485 (0.0624275% change)
+ iteration 92: trace = 0.0005659201341644 (0.0624275% change)
linmin: converged after 2 iterations.
- iteration 93: trace = 0.0005658242095445518 (0.0169497% change)
- large trace change predicted (0.0719273%)
+ iteration 93: trace = 0.0005658242203232565 (0.0169497% change)
+ large trace change predicted (0.0719274%)
linmin: converged after 3 iterations.
- iteration 94: trace = 0.0005654172619089741 (0.0719471% change)
+ iteration 94: trace = 0.0005654172724862558 (0.0719471% change)
linmin: converged after 2 iterations.
- iteration 95: trace = 0.0005652372569088804 (0.0318408% change)
+ iteration 95: trace = 0.0005652372676748471 (0.0318408% change)
large trace change predicted (0.0910646%)
linmin: converged after 2 iterations.
- iteration 96: trace = 0.0005647224524696528 (0.0911191% change)
+ iteration 96: trace = 0.0005647224630764961 (0.0911191% change)
linmin: converged after 2 iterations.
- iteration 97: trace = 0.0005645479760857395 (0.0309007% change)
+ iteration 97: trace = 0.0005645479868322593 (0.0309007% change)
linmin: converged after 2 iterations.
- iteration 98: trace = 0.0005643908474158557 (0.0278365% change)
+ iteration 98: trace = 0.0005643908579165657 (0.0278366% change)
linmin: converged after 2 iterations.
- iteration 99: trace = 0.0005641061311855421 (0.0504594% change)
+ iteration 99: trace = 0.0005641061419382308 (0.0504593% change)
linmin: converged after 2 iterations.
- iteration 100: trace = 0.0005639955064155911 (0.0196126% change)
+ iteration 100: trace = 0.0005639955171002747 (0.0196126% change)
linmin: converged after 2 iterations.
- iteration 101: trace = 0.0005639228512580232 (0.0128831% change)
+ iteration 101: trace = 0.0005639228619948146 (0.012883% change)
linmin: converged after 2 iterations.
- iteration 102: trace = 0.0005638118778751996 (0.0196808% change)
+ iteration 102: trace = 0.0005638118885827305 (0.0196808% change)
linmin: converged after 2 iterations.
- iteration 103: trace = 0.0005638049865089762 (0.00122229% change)
+ iteration 103: trace = 0.0005638049972376717 (0.00122228% change)
large trace change predicted (0.0112905%)
linmin: converged after 3 iterations.
- iteration 104: trace = 0.0005637413373947629 (0.0112898% change)
+ iteration 104: trace = 0.0005637413480909509 (0.0112899% change)
linmin: converged after 2 iterations.
- iteration 105: trace = 0.0005637272003570407 (0.00250775% change)
+ iteration 105: trace = 0.0005637272110879312 (0.00250774% change)
large trace change predicted (0.0167509%)
linmin: converged after 3 iterations.
- iteration 106: trace = 0.0005636328701905146 (0.0167347% change)
+ iteration 106: trace = 0.0005636328809173329 (0.0167347% change)
linmin: converged after 2 iterations.
- iteration 107: trace = 0.0005636302031810029 (0.000473183% change)
+ iteration 107: trace = 0.0005636302139017894 (0.000473184% change)
large trace change predicted (0.011255%)
linmin: converged after 3 iterations.
- iteration 108: trace = 0.0005635667907629519 (0.0112513% change)
+ iteration 108: trace = 0.0005635668014342314 (0.0112514% change)
linmin: converged after 2 iterations.
- iteration 109: trace = 0.0005635621975576329 (0.000815027% change)
+ iteration 109: trace = 0.0005635622082828341 (0.000815018% change)
large trace change predicted (0.0100084%)
linmin: converged after 2 iterations.
- iteration 110: trace = 0.0005635057562367899 (0.0100156% change)
+ iteration 110: trace = 0.0005635057669609862 (0.0100156% change)
linmin: converged after 2 iterations.
- iteration 111: trace = 0.0005635037657161913 (0.000353239% change)
+ iteration 111: trace = 0.0005635037764395068 (0.00035324% change)
large trace change predicted (0.0026277%)
linmin: converged after 2 iterations.
- iteration 112: trace = 0.0005634889554967986 (0.00262827% change)
+ iteration 112: trace = 0.0005634889662202358 (0.00262827% change)
linmin: converged after 2 iterations.
- iteration 113: trace = 0.0005634882500207041 (0.000125198% change)
- large trace change predicted (0.00291265%)
+ iteration 113: trace = 0.0005634882607326908 (0.0001252% change)
+ large trace change predicted (0.00291264%)
linmin: converged after 2 iterations.
- iteration 114: trace = 0.0005634718368606323 (0.00291282% change)
+ iteration 114: trace = 0.0005634718475843487 (0.00291282% change)
linmin: converged after 2 iterations.
- iteration 115: trace = 0.0005634714629588591 (6.63568e-05% change)
+ iteration 115: trace = 0.0005634714736823217 (6.63568e-05% change)
large trace change predicted (0.000998649%)
linmin: converged after 2 iterations.
- iteration 116: trace = 0.0005634658359835452 (0.000998631% change)
+ iteration 116: trace = 0.0005634658467070847 (0.000998631% change)
linmin: converged after 2 iterations.
- iteration 117: trace = 0.0005634622611012143 (0.000634447% change)
+ iteration 117: trace = 0.0005634622717781715 (0.000634456% change)
linmin: converged after 2 iterations.
- iteration 118: trace = 0.0005634592206841031 (0.000539597% change)
+ iteration 118: trace = 0.0005634592314072815 (0.000539589% change)
linmin: converged after 2 iterations.
- iteration 119: trace = 0.0005634586717534609 (9.74216e-05% change)
- large trace change predicted (0.00131779%)
+ iteration 119: trace = 0.0005634586824729545 (9.74222e-05% change)
+ large trace change predicted (0.00131778%)
linmin: converged after 2 iterations.
- iteration 120: trace = 0.000563451246499804 (0.00131781% change)
+ iteration 120: trace = 0.0005634512572225861 (0.00131781% change)
linmin: converged after 2 iterations.
- iteration 121: trace = 0.0005634495308804212 (0.000304485% change)
+ iteration 121: trace = 0.0005634495415996299 (0.000304485% change)
linmin: converged after 2 iterations.
- iteration 122: trace = 0.0005634488859421463 (0.000114463% change)
- large trace change predicted (0.000368047%)
+ iteration 122: trace = 0.0005634488966648234 (0.000114462% change)
+ large trace change predicted (0.000368054%)
linmin: converged after 2 iterations.
- iteration 123: trace = 0.0005634468122471659 (0.000368037% change)
+ iteration 123: trace = 0.0005634468229277085 (0.000368044% change)
linmin: converged after 2 iterations.
- iteration 124: trace = 0.0005634442896276727 (0.000447713% change)
+ iteration 124: trace = 0.0005634443003502043 (0.000447706% change)
linmin: converged after 2 iterations.
- iteration 125: trace = 0.0005634433217870025 (0.000171772% change)
+ iteration 125: trace = 0.0005634433325083359 (0.000171773% change)
linmin: converged after 2 iterations.
- iteration 126: trace = 0.0005634428100498415 (9.08232e-05% change)
+ iteration 126: trace = 0.0005634428207723466 (9.0823e-05% change)
linmin: converged after 2 iterations.
- iteration 127: trace = 0.000563442286896471 (9.28495e-05% change)
+ iteration 127: trace = 0.0005634422976099442 (9.28511e-05% change)
linmin: converged after 2 iterations.
- iteration 128: trace = 0.0005634419936475005 (5.2046e-05% change)
+ iteration 128: trace = 0.0005634420043699671 (5.20444e-05% change)
linmin: converged after 2 iterations.
- iteration 129: trace = 0.0005634418360346279 (2.79732e-05% change)
+ iteration 129: trace = 0.0005634418467569304 (2.79733e-05% change)
linmin: converged after 2 iterations.
- iteration 130: trace = 0.0005634417906624986 (8.05267e-06% change)
+ iteration 130: trace = 0.0005634418013849211 (8.05265e-06% change)
large trace change predicted (3.45757e-05%)
linmin: converged after 2 iterations.
- iteration 131: trace = 0.0005634415958488791 (3.45756e-05% change)
+ iteration 131: trace = 0.0005634416065711369 (3.45757e-05% change)
linmin: converged after 1 iterations.
- iteration 132: trace = 0.0005634415811014236 (2.61739e-06% change)
+ iteration 132: trace = 0.0005634415918236819 (2.61739e-06% change)
large trace change predicted (2.99597e-05%)
linmin: converged after 2 iterations.
- iteration 133: trace = 0.0005634414122970389 (2.99595e-05% change)
+ iteration 133: trace = 0.0005634414230192412 (2.99595e-05% change)
linmin: converged after 2 iterations.
- iteration 134: trace = 0.0005634413950827437 (3.05521e-06% change)
+ iteration 134: trace = 0.0005634414058051536 (3.05517e-06% change)
large trace change predicted (2.45802e-05%)
linmin: converged after 2 iterations.
- iteration 135: trace = 0.0005634412565880829 (2.45801e-05% change)
+ iteration 135: trace = 0.0005634412673104865 (2.45801e-05% change)
linmin: converged after 2 iterations.
- iteration 136: trace = 0.0005634412488816005 (1.36775e-06% change)
- large trace change predicted (3.3994e-05%)
+ iteration 136: trace = 0.0005634412596039256 (1.36777e-06% change)
+ large trace change predicted (3.39941e-05%)
linmin: converged after 2 iterations.
- iteration 137: trace = 0.0005634410573433432 (3.39944e-05% change)
+ iteration 137: trace = 0.0005634410680651487 (3.39945e-05% change)
linmin: converged after 2 iterations.
- iteration 138: trace = 0.0005634410448110749 (2.22424e-06% change)
+ iteration 138: trace = 0.0005634410555334601 (2.22413e-06% change)
large trace change predicted (8.09133e-06%)
linmin: converged after 2 iterations.
- iteration 139: trace = 0.0005634409992211973 (8.09133e-06% change)
+ iteration 139: trace = 0.0005634410099435853 (8.09133e-06% change)
resetting CG direction...
linmin: converged after 2 iterations.
- iteration 140: trace = 0.0005634409924951389 (1.19375e-06% change)
- large trace change predicted (4.46351e-06%)
+ iteration 140: trace = 0.000563441003217511 (1.19375e-06% change)
+ large trace change predicted (4.4635e-06%)
linmin: converged after 2 iterations.
- iteration 141: trace = 0.0005634409673459414 (4.4635e-06% change)
+ iteration 141: trace = 0.0005634409780683253 (4.4635e-06% change)
linmin: converged after 2 iterations.
- iteration 142: trace = 0.000563440954752899 (2.23502e-06% change)
- large trace change predicted (1.00798e-05%)
+ iteration 142: trace = 0.0005634409654746167 (2.23514e-06% change)
+ large trace change predicted (1.00797e-05%)
linmin: converged after 2 iterations.
- iteration 143: trace = 0.0005634408979593727 (1.00798e-05% change)
+ iteration 143: trace = 0.0005634409086817542 (1.00796e-05% change)
linmin: converged after 2 iterations.
- iteration 144: trace = 0.0005634408714991074 (4.69619e-06% change)
+ iteration 144: trace = 0.0005634408822215101 (4.69619e-06% change)
linmin: converged after 2 iterations.
- iteration 145: trace = 0.0005634408687754137 (4.83404e-07% change)
+ iteration 145: trace = 0.0005634408794977981 (4.83407e-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: 1.1629788875579834
-total elapsed time for run: 1.1769120693206787
+elapsed time for k point: 6.034660816192627
+total elapsed time for run: 6.091681718826294
done
Initializing eigensolver data
Computing 1 bands with 1e-08 tolerance
@@ -71675,332 +71694,332 @@
Initializing fields to random numbers...
1 k-points
Vector3<0.5, 0.5, 0.0>
-elapsed time for initialization: 0.013400554656982422
+elapsed time for initialization: 0.053855180740356445
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)
+ iteration 1: trace = 0.01396271777790279 (199.998% change)
linmin: converged after 7 iterations.
- iteration 2: trace = 0.01327684378988494 (5.03587% change)
+ iteration 2: trace = 0.01327684378988493 (5.03587% change)
linmin: converged after 5 iterations.
- iteration 3: trace = 0.01313325505801604 (1.08738% change)
+ iteration 3: trace = 0.01313325505801896 (1.08738% change)
near maximum in trace
linmin: converged after 6 iterations.
- iteration 4: trace = 0.01143107373144277 (13.859% change)
+ iteration 4: trace = 0.01143107373087056 (13.859% change)
linmin: converged after 8 iterations.
- iteration 5: trace = 0.01057169177223048 (7.81158% change)
+ iteration 5: trace = 0.0105716917720197 (7.81158% change)
linmin: converged after 6 iterations.
- iteration 6: trace = 0.01011490408587956 (4.41627% change)
+ iteration 6: trace = 0.01011490408595862 (4.41627% change)
linmin: converged after 6 iterations.
- iteration 7: trace = 0.009876993403827727 (2.38007% change)
+ iteration 7: trace = 0.009876993404167896 (2.38007% change)
linmin: converged after 8 iterations.
- iteration 8: trace = 0.008846068607452543 (11.0124% change)
+ iteration 8: trace = 0.008846068608249009 (11.0124% change)
linmin: converged after 6 iterations.
- iteration 9: trace = 0.008517042220838404 (3.78995% change)
+ iteration 9: trace = 0.008517042221226631 (3.78995% change)
linmin: converged after 5 iterations.
- iteration 10: trace = 0.00832626873861899 (2.26527% change)
+ iteration 10: trace = 0.008326268739399675 (2.26527% change)
large trace change predicted (6.09955%)
linmin: converged after 8 iterations.
- iteration 11: trace = 0.007074915362555521 (16.2501% change)
+ iteration 11: trace = 0.007074915363949338 (16.2501% change)
linmin: converged after 5 iterations.
- iteration 12: trace = 0.006842447678772904 (3.34069% change)
+ iteration 12: trace = 0.006842447679850567 (3.34069% change)
linmin: converged after 5 iterations.
- iteration 13: trace = 0.006644462856663876 (2.93596% change)
+ iteration 13: trace = 0.006644462857852558 (2.93596% change)
linmin: converged after 8 iterations.
- iteration 14: trace = 0.005865808909928048 (12.4482% change)
+ iteration 14: trace = 0.005865808909947778 (12.4482% change)
linmin: converged after 5 iterations.
- iteration 15: trace = 0.005690964406428773 (3.02584% change)
+ iteration 15: trace = 0.005690964406063527 (3.02584% change)
linmin: converged after 5 iterations.
- iteration 16: trace = 0.005359509169359012 (5.99893% change)
+ iteration 16: trace = 0.005359509169335739 (5.99893% change)
linmin: converged after 6 iterations.
- iteration 17: trace = 0.004560608209572242 (16.1067% change)
+ iteration 17: trace = 0.004560608210191721 (16.1067% change)
linmin: converged after 4 iterations.
- iteration 18: trace = 0.004423220917649123 (3.05855% change)
+ iteration 18: trace = 0.004423220918551189 (3.05855% change)
linmin: converged after 3 iterations.
- iteration 19: trace = 0.004368098766993594 (1.25401% change)
+ iteration 19: trace = 0.004368098767771778 (1.25401% change)
large trace change predicted (8.81704%)
linmin: converged after 6 iterations.
- iteration 20: trace = 0.003725892431179084 (15.8687% change)
+ iteration 20: trace = 0.003725892430793943 (15.8687% change)
linmin: converged after 6 iterations.
- iteration 21: trace = 0.003276517527330652 (12.8349% change)
+ iteration 21: trace = 0.003276517527378307 (12.8349% change)
linmin: converged after 3 iterations.
- iteration 22: trace = 0.003217890899153946 (1.80545% change)
+ iteration 22: trace = 0.003217890899324664 (1.80545% change)
linmin: converged after 5 iterations.
- iteration 23: trace = 0.003089917728573023 (4.05761% change)
+ iteration 23: trace = 0.003089917728461154 (4.05761% change)
linmin: converged after 6 iterations.
- iteration 24: trace = 0.002789089266622837 (10.234% change)
+ iteration 24: trace = 0.002789089266770034 (10.234% change)
linmin: converged after 4 iterations.
- iteration 25: trace = 0.002710905815715941 (2.84304% change)
+ iteration 25: trace = 0.00271090581614276 (2.84304% change)
linmin: converged after 3 iterations.
- iteration 26: trace = 0.002674218652860022 (1.36254% change)
+ iteration 26: trace = 0.002674218653196001 (1.36254% change)
large trace change predicted (6.80505%)
linmin: converged after 5 iterations.
- iteration 27: trace = 0.002438971014983271 (9.2016% change)
+ iteration 27: trace = 0.002438971014238784 (9.2016% change)
linmin: converged after 6 iterations.
- iteration 28: trace = 0.002034189827240201 (18.0982% change)
+ iteration 28: trace = 0.002034189826722568 (18.0982% change)
linmin: converged after 4 iterations.
- iteration 29: trace = 0.001933181583259006 (5.09195% change)
+ iteration 29: trace = 0.001933181583173824 (5.09195% change)
linmin: converged after 3 iterations.
- iteration 30: trace = 0.001907998976254398 (1.31119% change)
+ iteration 30: trace = 0.001907998976199941 (1.31119% change)
large trace change predicted (3.49571%)
linmin: converged after 4 iterations.
- iteration 31: trace = 0.001834919993259559 (3.90492% change)
+ iteration 31: trace = 0.001834919993046496 (3.90492% change)
linmin: converged after 5 iterations.
- iteration 32: trace = 0.001694173476638622 (7.97636% change)
+ iteration 32: trace = 0.001694173476539198 (7.97636% change)
linmin: converged after 3 iterations.
- iteration 33: trace = 0.00164641628660496 (2.85921% change)
+ iteration 33: trace = 0.001646416286639807 (2.85921% change)
linmin: converged after 3 iterations.
- iteration 34: trace = 0.001622123538462435 (1.48646% change)
+ iteration 34: trace = 0.001622123538454886 (1.48646% change)
large trace change predicted (5.19533%)
linmin: converged after 4 iterations.
- iteration 35: trace = 0.001527366074622875 (6.01732% change)
+ iteration 35: trace = 0.0015273660742384 (6.01732% change)
linmin: converged after 5 iterations.
- iteration 36: trace = 0.001331717884523096 (13.6861% change)
+ iteration 36: trace = 0.001331717884091911 (13.6861% change)
linmin: converged after 4 iterations.
- iteration 37: trace = 0.001255606316411443 (5.88342% change)
+ iteration 37: trace = 0.001255606316197076 (5.88342% change)
linmin: converged after 3 iterations.
- iteration 38: trace = 0.001232184805986955 (1.88292% change)
+ iteration 38: trace = 0.001232184805805843 (1.88292% change)
linmin: converged after 3 iterations.
- iteration 39: trace = 0.0011917097095799 (3.33967% change)
+ iteration 39: trace = 0.001191709709356282 (3.33967% change)
linmin: converged after 4 iterations.
- iteration 40: trace = 0.001116235433554249 (6.54039% change)
+ iteration 40: trace = 0.001116235433397763 (6.54039% change)
linmin: converged after 3 iterations.
- iteration 41: trace = 0.00108243594973899 (3.07454% change)
+ iteration 41: trace = 0.001082435949683927 (3.07454% change)
linmin: converged after 4 iterations.
- iteration 42: trace = 0.00107121845045674 (1.04172% change)
+ iteration 42: trace = 0.001071218450411151 (1.04172% change)
linmin: converged after 3 iterations.
- iteration 43: trace = 0.001050833573834345 (1.92124% change)
+ iteration 43: trace = 0.001050833573729051 (1.92124% change)
large trace change predicted (5.53279%)
linmin: converged after 4 iterations.
- iteration 44: trace = 0.0009876540753936851 (6.19866% change)
+ iteration 44: trace = 0.0009876540752039222 (6.19866% change)
linmin: converged after 4 iterations.
- iteration 45: trace = 0.0009353335330215574 (5.44159% change)
+ iteration 45: trace = 0.0009353335329453021 (5.44159% change)
linmin: converged after 3 iterations.
- iteration 46: trace = 0.000919090577329504 (1.75181% change)
+ iteration 46: trace = 0.0009190905772947226 (1.75181% change)
linmin: converged after 4 iterations.
- iteration 47: trace = 0.0009058436033286145 (1.45178% change)
+ iteration 47: trace = 0.0009058436032717036 (1.45178% change)
large trace change predicted (4.00783%)
linmin: converged after 3 iterations.
- iteration 48: trace = 0.0008679705373148768 (4.27024% change)
+ iteration 48: trace = 0.0008679705371620204 (4.27024% change)
linmin: converged after 3 iterations.
- iteration 49: trace = 0.0008163908946244975 (6.12453% change)
+ iteration 49: trace = 0.0008163908945098342 (6.12453% change)
linmin: converged after 4 iterations.
- iteration 50: trace = 0.0007981010811704082 (2.26571% change)
+ iteration 50: trace = 0.0007981010811138573 (2.26571% change)
linmin: converged after 4 iterations.
- iteration 51: trace = 0.0007920809421113702 (0.757164% change)
+ iteration 51: trace = 0.0007920809420618214 (0.757164% change)
linmin: converged after 4 iterations.
- iteration 52: trace = 0.0007831096984309267 (1.13907% change)
+ iteration 52: trace = 0.0007831096983610429 (1.13907% change)
large trace change predicted (2.68696%)
linmin: converged after 3 iterations.
- iteration 53: trace = 0.0007615285022641504 (2.79434% change)
+ iteration 53: trace = 0.0007615285021806699 (2.79434% change)
linmin: converged after 4 iterations.
- iteration 54: trace = 0.0007452609271744184 (2.15924% change)
+ iteration 54: trace = 0.0007452609271391329 (2.15924% change)
linmin: converged after 4 iterations.
- iteration 55: trace = 0.0007399621295651155 (0.713536% change)
+ iteration 55: trace = 0.0007399621295468081 (0.713536% change)
linmin: converged after 4 iterations.
- iteration 56: trace = 0.0007354451061155918 (0.612309% change)
+ iteration 56: trace = 0.0007354451060916182 (0.612309% change)
large trace change predicted (1.82266%)
linmin: converged after 4 iterations.
- iteration 57: trace = 0.0007218268494247323 (1.86901% change)
+ iteration 57: trace = 0.0007218268493620257 (1.86901% change)
linmin: converged after 3 iterations.
- iteration 58: trace = 0.0006978564990052765 (3.37686% change)
+ iteration 58: trace = 0.0006978564989355831 (3.37686% change)
linmin: converged after 4 iterations.
- iteration 59: trace = 0.0006862159289306486 (1.68208% change)
+ iteration 59: trace = 0.0006862159288848806 (1.68208% change)
linmin: converged after 4 iterations.
- iteration 60: trace = 0.0006814087152688499 (0.703002% change)
+ iteration 60: trace = 0.0006814087152252336 (0.703002% change)
linmin: converged after 4 iterations.
- iteration 61: trace = 0.0006741507191320719 (1.07085% change)
+ iteration 61: trace = 0.000674150719073446 (1.07085% change)
linmin: converged after 4 iterations.
- iteration 62: trace = 0.0006599995940900468 (2.12137% change)
+ iteration 62: trace = 0.0006599995940308902 (2.12137% change)
linmin: converged after 4 iterations.
- iteration 63: trace = 0.0006513439268854088 (1.32012% change)
+ iteration 63: trace = 0.0006513439268552154 (1.32012% change)
linmin: converged after 4 iterations.
- iteration 64: trace = 0.0006488237794914478 (0.387665% change)
+ iteration 64: trace = 0.0006488237794697233 (0.387665% change)
linmin: converged after 4 iterations.
- iteration 65: trace = 0.0006469461202225589 (0.289814% change)
+ iteration 65: trace = 0.0006469461201987571 (0.289814% change)
large trace change predicted (0.810595%)
linmin: converged after 4 iterations.
- iteration 66: trace = 0.0006416681506114926 (0.81917% change)
+ iteration 66: trace = 0.0006416681505726042 (0.81917% change)
linmin: converged after 4 iterations.
- iteration 67: trace = 0.0006315484777095407 (1.58962% change)
+ iteration 67: trace = 0.0006315484776710645 (1.58962% change)
linmin: converged after 4 iterations.
- iteration 68: trace = 0.0006260136835207942 (0.880242% change)
+ iteration 68: trace = 0.0006260136834987559 (0.880242% change)
linmin: converged after 4 iterations.
- iteration 69: trace = 0.0006237063576633713 (0.369255% change)
+ iteration 69: trace = 0.0006237063576440872 (0.369255% change)
resetting CG direction...
linmin: converged after 3 iterations.
- iteration 70: trace = 0.0006229823627665605 (0.116147% change)
+ iteration 70: trace = 0.0006229823627468336 (0.116147% change)
large trace change predicted (0.609708%)
linmin: converged after 3 iterations.
- iteration 71: trace = 0.0006191863134326038 (0.611197% change)
+ iteration 71: trace = 0.0006191863134131451 (0.611197% change)
large trace change predicted (1.7554%)
linmin: converged after 3 iterations.
- iteration 72: trace = 0.0006083344730289698 (1.76809% change)
+ iteration 72: trace = 0.0006083344731421098 (1.76809% change)
linmin: converged after 3 iterations.
- iteration 73: trace = 0.0006039819544199722 (0.71805% change)
+ iteration 73: trace = 0.0006039819544211147 (0.71805% change)
linmin: converged after 3 iterations.
- iteration 74: trace = 0.000595348179189886 (1.43977% change)
+ iteration 74: trace = 0.0005953481801856599 (1.43977% change)
linmin: converged after 3 iterations.
- iteration 75: trace = 0.0005790998597295305 (2.76697% change)
+ iteration 75: trace = 0.0005790998597530178 (2.76697% change)
linmin: converged after 4 iterations.
- iteration 76: trace = 0.0005636615393726269 (2.70193% change)
+ iteration 76: trace = 0.0005636615393937976 (2.70193% change)
linmin: converged after 2 iterations.
- iteration 77: trace = 0.0005632767885226191 (0.0682825% change)
+ iteration 77: trace = 0.0005632767885222335 (0.0682825% change)
large trace change predicted (0.15294%)
linmin: converged after 3 iterations.
- iteration 78: trace = 0.0005624159234280986 (0.152949% change)
+ iteration 78: trace = 0.0005624159234887405 (0.152948% change)
large trace change predicted (0.911925%)
linmin: converged after 3 iterations.
- iteration 79: trace = 0.000557306306080149 (0.912658% change)
+ iteration 79: trace = 0.0005573063060985239 (0.912658% change)
linmin: converged after 3 iterations.
- iteration 80: trace = 0.0005534008786782638 (0.703233% change)
+ iteration 80: trace = 0.0005534008786990929 (0.703233% change)
linmin: converged after 3 iterations.
- iteration 81: trace = 0.0005527445947025942 (0.118661% change)
+ iteration 81: trace = 0.0005527445947014258 (0.118661% change)
linmin: converged after 3 iterations.
- iteration 82: trace = 0.0005523222164461232 (0.0764439% change)
+ iteration 82: trace = 0.000552322216445164 (0.0764439% change)
linmin: converged after 3 iterations.
- iteration 83: trace = 0.0005515161192021391 (0.146053% change)
+ iteration 83: trace = 0.0005515161192019065 (0.146053% change)
large trace change predicted (0.456202%)
linmin: converged after 3 iterations.
- iteration 84: trace = 0.0005490276986329888 (0.452217% change)
+ iteration 84: trace = 0.0005490276986459375 (0.452217% change)
linmin: converged after 3 iterations.
- iteration 85: trace = 0.0005486976231640826 (0.0601381% change)
+ iteration 85: trace = 0.0005486976231660303 (0.0601381% change)
linmin: converged after 3 iterations.
- iteration 86: trace = 0.0005485471397404792 (0.0274293% change)
+ iteration 86: trace = 0.0005485471397362772 (0.0274293% change)
large trace change predicted (0.104834%)
linmin: converged after 3 iterations.
- iteration 87: trace = 0.0005479727715634857 (0.104762% change)
+ iteration 87: trace = 0.0005479727715647271 (0.104762% change)
linmin: converged after 2 iterations.
- iteration 88: trace = 0.0005475046960650282 (0.085456% change)
+ iteration 88: trace = 0.0005475046960766316 (0.085456% change)
linmin: converged after 2 iterations.
- iteration 89: trace = 0.0005473526469117775 (0.0277752% change)
+ iteration 89: trace = 0.0005473526469117029 (0.0277752% change)
linmin: converged after 2 iterations.
- iteration 90: trace = 0.0005472800290895339 (0.013268% change)
+ iteration 90: trace = 0.0005472800290826607 (0.013268% change)
large trace change predicted (0.180543%)
linmin: converged after 4 iterations.
- iteration 91: trace = 0.0005462881158850799 (0.181409% change)
+ iteration 91: trace = 0.0005462881158843215 (0.181409% change)
linmin: converged after 2 iterations.
- iteration 92: trace = 0.0005461207310450219 (0.0306451% change)
+ iteration 92: trace = 0.0005461207310638469 (0.0306451% change)
linmin: converged after 2 iterations.
- iteration 93: trace = 0.0005458505698385225 (0.0494814% change)
+ iteration 93: trace = 0.0005458505698378529 (0.0494814% change)
linmin: converged after 2 iterations.
- iteration 94: trace = 0.0005457798751148077 (0.0129521% change)
+ iteration 94: trace = 0.0005457798751033381 (0.0129521% change)
large trace change predicted (0.0900923%)
linmin: converged after 3 iterations.
- iteration 95: trace = 0.000545288256175199 (0.090117% change)
+ iteration 95: trace = 0.000545288256175002 (0.090117% change)
linmin: converged after 2 iterations.
- iteration 96: trace = 0.0005451436125263715 (0.0265296% change)
+ iteration 96: trace = 0.0005451436125592623 (0.0265296% change)
large trace change predicted (0.0932169%)
linmin: converged after 2 iterations.
- iteration 97: trace = 0.0005446353773024997 (0.0932731% change)
+ iteration 97: trace = 0.0005446353773013098 (0.0932731% change)
linmin: converged after 2 iterations.
- iteration 98: trace = 0.000544624754461276 (0.00195047% change)
+ iteration 98: trace = 0.0005446247544599609 (0.00195047% change)
large trace change predicted (0.0828773%)
linmin: converged after 3 iterations.
- iteration 99: trace = 0.0005441711389623531 (0.0833242% change)
+ iteration 99: trace = 0.0005441711389643854 (0.0833242% change)
linmin: converged after 2 iterations.
- iteration 100: trace = 0.0005441562712972161 (0.0027322% change)
+ iteration 100: trace = 0.0005441562713011943 (0.0027322% change)
large trace change predicted (0.0234901%)
linmin: converged after 2 iterations.
- iteration 101: trace = 0.0005440282539585996 (0.0235286% change)
+ iteration 101: trace = 0.0005440282539577455 (0.0235286% change)
linmin: converged after 2 iterations.
- iteration 102: trace = 0.000544022759268954 (0.00101001% change)
+ iteration 102: trace = 0.0005440227592686041 (0.00101001% change)
large trace change predicted (0.0204397%)
linmin: converged after 2 iterations.
- iteration 103: trace = 0.0005439114908238331 (0.020455% change)
+ iteration 103: trace = 0.0005439114908242292 (0.020455% change)
linmin: converged after 2 iterations.
- iteration 104: trace = 0.0005439052442552366 (0.00114846% change)
+ iteration 104: trace = 0.0005439052442571621 (0.00114846% change)
large trace change predicted (0.0118837%)
linmin: converged after 3 iterations.
- iteration 105: trace = 0.0005438406202165299 (0.0118822% change)
+ iteration 105: trace = 0.0005438406202163108 (0.0118822% change)
linmin: converged after 2 iterations.
- iteration 106: trace = 0.0005438370058492408 (0.000664603% change)
+ iteration 106: trace = 0.0005438370058488941 (0.000664603% change)
large trace change predicted (0.0154666%)
linmin: converged after 3 iterations.
- iteration 107: trace = 0.0005437529696057079 (0.0154537% change)
+ iteration 107: trace = 0.000543752969605734 (0.0154537% change)
linmin: converged after 2 iterations.
- iteration 108: trace = 0.0005437511838653024 (0.000328411% change)
+ iteration 108: trace = 0.0005437511838656576 (0.000328411% change)
large trace change predicted (0.0115138%)
linmin: converged after 3 iterations.
- iteration 109: trace = 0.0005436886019079867 (0.01151% change)
+ iteration 109: trace = 0.0005436886019064124 (0.01151% change)
linmin: converged after 2 iterations.
- iteration 110: trace = 0.000543685205707564 (0.000624661% change)
+ iteration 110: trace = 0.0005436852057075105 (0.000624661% change)
large trace change predicted (0.00985811%)
linmin: converged after 2 iterations.
- iteration 111: trace = 0.0005436315752387429 (0.00986474% change)
+ iteration 111: trace = 0.0005436315752403894 (0.00986474% change)
linmin: converged after 2 iterations.
- iteration 112: trace = 0.0005436284958334151 (0.000566452% change)
+ iteration 112: trace = 0.0005436284958334678 (0.000566453% change)
large trace change predicted (0.0021314%)
linmin: converged after 2 iterations.
- iteration 113: trace = 0.000543616907121843 (0.00213176% change)
+ iteration 113: trace = 0.0005436169071213004 (0.00213176% change)
linmin: converged after 2 iterations.
- iteration 114: trace = 0.0005436159200508196 (0.000181575% change)
+ iteration 114: trace = 0.0005436159200508085 (0.000181575% change)
large trace change predicted (0.00286192%)
linmin: converged after 2 iterations.
- iteration 115: trace = 0.0005436003613030362 (0.00286213% change)
+ iteration 115: trace = 0.0005436003613040285 (0.00286213% change)
linmin: converged after 2 iterations.
- iteration 116: trace = 0.0005435990227760433 (0.000246234% change)
- large trace change predicted (0.00070207%)
+ iteration 116: trace = 0.0005435990227760772 (0.000246234% change)
+ large trace change predicted (0.000702071%)
linmin: converged after 2 iterations.
- iteration 117: trace = 0.0005435952063733386 (0.000702065% change)
+ iteration 117: trace = 0.0005435952063723431 (0.000702065% change)
linmin: converged after 2 iterations.
- iteration 118: trace = 0.0005435933072443479 (0.000349365% change)
- large trace change predicted (0.000866677%)
+ iteration 118: trace = 0.0005435933072443747 (0.000349365% change)
+ large trace change predicted (0.000866676%)
linmin: converged after 2 iterations.
- iteration 119: trace = 0.0005435885960685232 (0.000866677% change)
+ iteration 119: trace = 0.0005435885960693559 (0.000866676% change)
linmin: converged after 2 iterations.
- iteration 120: trace = 0.0005435874257154622 (0.000215301% change)
+ iteration 120: trace = 0.0005435874257155064 (0.000215302% change)
large trace change predicted (0.00086939%)
linmin: converged after 2 iterations.
- iteration 121: trace = 0.0005435826998303329 (0.000869392% change)
+ iteration 121: trace = 0.0005435826998290416 (0.000869392% change)
linmin: converged after 2 iterations.
- iteration 122: trace = 0.0005435806841363563 (0.000370817% change)
+ iteration 122: trace = 0.0005435806841363679 (0.000370817% change)
linmin: converged after 2 iterations.
- iteration 123: trace = 0.000543579445433883 (0.000227879% change)
+ iteration 123: trace = 0.0005435794454345423 (0.000227878% change)
linmin: converged after 2 iterations.
- iteration 124: trace = 0.0005435780840929086 (0.00025044% change)
+ iteration 124: trace = 0.0005435780840929133 (0.000250441% change)
linmin: converged after 2 iterations.
- iteration 125: trace = 0.00054357548636822 (0.000477895% change)
+ iteration 125: trace = 0.0005435754863673889 (0.000477895% change)
linmin: converged after 2 iterations.
- iteration 126: trace = 0.0005435742830251029 (0.000221376% change)
+ iteration 126: trace = 0.000543574283025115 (0.000221376% change)
linmin: converged after 2 iterations.
- iteration 127: trace = 0.0005435740402261877 (4.46671e-05% change)
+ iteration 127: trace = 0.0005435740402264217 (4.46671e-05% change)
large trace change predicted (0.000217248%)
linmin: converged after 2 iterations.
- iteration 128: trace = 0.000543572859358711 (0.000217242% change)
+ iteration 128: trace = 0.0005435728593587195 (0.000217242% change)
linmin: converged after 2 iterations.
- iteration 129: trace = 0.0005435727903939424 (1.26873e-05% change)
+ iteration 129: trace = 0.0005435727903938972 (1.26873e-05% change)
large trace change predicted (0.000125585%)
linmin: converged after 2 iterations.
- iteration 130: trace = 0.0005435721077550543 (0.000125584% change)
+ iteration 130: trace = 0.0005435721077550639 (0.000125584% change)
linmin: converged after 2 iterations.
- iteration 131: trace = 0.0005435720965418547 (2.06287e-06% change)
+ iteration 131: trace = 0.0005435720965418716 (2.06287e-06% change)
large trace change predicted (1.96188e-05%)
linmin: converged after 2 iterations.
- iteration 132: trace = 0.0005435719898996097 (1.96188e-05% change)
+ iteration 132: trace = 0.0005435719898996194 (1.96188e-05% change)
linmin: converged after 2 iterations.
- iteration 133: trace = 0.0005435719754107123 (2.6655e-06% change)
+ iteration 133: trace = 0.0005435719754107097 (2.6655e-06% change)
large trace change predicted (4.27192e-05%)
linmin: converged after 2 iterations.
- iteration 134: trace = 0.0005435717432018567 (4.27191e-05% change)
+ iteration 134: trace = 0.0005435717432018648 (4.27191e-05% change)
linmin: converged after 2 iterations.
- iteration 135: trace = 0.0005435717317225109 (2.11184e-06% change)
+ iteration 135: trace = 0.0005435717317225318 (2.11183e-06% change)
large trace change predicted (2.06095e-05%)
linmin: converged after 2 iterations.
- iteration 136: trace = 0.0005435716196955692 (2.06094e-05% change)
+ iteration 136: trace = 0.0005435716196955803 (2.06094e-05% change)
linmin: converged after 2 iterations.
- iteration 137: trace = 0.0005435716102491742 (1.73784e-06% change)
+ iteration 137: trace = 0.0005435716102491758 (1.73784e-06% change)
large trace change predicted (2.10141e-05%)
linmin: converged after 2 iterations.
- iteration 138: trace = 0.0005435714960225137 (2.10141e-05% change)
+ iteration 138: trace = 0.0005435714960225187 (2.10141e-05% change)
linmin: converged after 2 iterations.
- iteration 139: trace = 0.0005435714922125518 (7.00913e-07% change)
+ iteration 139: trace = 0.0005435714922125636 (7.00911e-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: 1.1555941104888916
-total elapsed time for run: 1.1691360473632812
+elapsed time for k point: 4.3236963748931885
+total elapsed time for run: 4.377725601196289
done
Initializing eigensolver data
Computing 1 bands with 1e-08 tolerance
@@ -72080,331 +72099,331 @@
Initializing fields to random numbers...
1 k-points
Vector3<0.5, 0.5, 0.0>
-elapsed time for initialization: 0.013576030731201172
+elapsed time for initialization: 0.0212709903717041
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 = 0.01396274532345199 (199.998% change)
+ iteration 1: trace = 0.01396274532346681 (199.998% change)
linmin: converged after 7 iterations.
- iteration 2: trace = 0.01327678895735416 (5.03648% change)
+ iteration 2: trace = 0.01327678895732442 (5.03648% change)
linmin: converged after 5 iterations.
- iteration 3: trace = 0.01313363091081478 (1.0841% change)
+ iteration 3: trace = 0.01313363091101133 (1.0841% change)
near maximum in trace
linmin: converged after 6 iterations.
- iteration 4: trace = 0.01143038892773263 (13.8678% change)
+ iteration 4: trace = 0.01143038892843357 (13.8678% change)
linmin: converged after 8 iterations.
- iteration 5: trace = 0.01057238111512836 (7.79909% change)
+ iteration 5: trace = 0.01057238111590396 (7.79909% change)
linmin: converged after 6 iterations.
- iteration 6: trace = 0.01011752134264548 (4.39693% change)
+ iteration 6: trace = 0.01011752134392836 (4.39693% change)
linmin: converged after 6 iterations.
- iteration 7: trace = 0.00987943278063535 (2.38125% change)
+ iteration 7: trace = 0.009879432781382317 (2.38125% change)
linmin: converged after 8 iterations.
- iteration 8: trace = 0.00885106110892064 (10.9807% change)
+ iteration 8: trace = 0.008851061110265412 (10.9807% change)
linmin: converged after 6 iterations.
- iteration 9: trace = 0.008522952952031241 (3.777% change)
+ iteration 9: trace = 0.008522952954569507 (3.777% change)
linmin: converged after 5 iterations.
- iteration 10: trace = 0.008335408560051114 (2.22494% change)
+ iteration 10: trace = 0.008335408563637261 (2.22494% change)
large trace change predicted (6.08184%)
linmin: converged after 8 iterations.
- iteration 11: trace = 0.007087003145631657 (16.1895% change)
+ iteration 11: trace = 0.007087003149811437 (16.1895% change)
linmin: converged after 5 iterations.
- iteration 12: trace = 0.00685414605224165 (3.34057% change)
+ iteration 12: trace = 0.006854146056769756 (3.34057% change)
linmin: converged after 5 iterations.
- iteration 13: trace = 0.006657474924917567 (2.91114% change)
+ iteration 13: trace = 0.006657474929944862 (2.91114% change)
linmin: converged after 8 iterations.
- iteration 14: trace = 0.005882487142524704 (12.3603% change)
+ iteration 14: trace = 0.005882487151458949 (12.3603% change)
linmin: converged after 5 iterations.
- iteration 15: trace = 0.005708413859144998 (3.00362% change)
+ iteration 15: trace = 0.005708413869126732 (3.00362% change)
linmin: converged after 5 iterations.
- iteration 16: trace = 0.005376848399666821 (5.98209% change)
+ iteration 16: trace = 0.005376848409038072 (5.98209% change)
linmin: converged after 6 iterations.
- iteration 17: trace = 0.004576121718146103 (16.0902% change)
+ iteration 17: trace = 0.004576121725483166 (16.0902% change)
linmin: converged after 4 iterations.
- iteration 18: trace = 0.004438061810781949 (3.06317% change)
+ iteration 18: trace = 0.004438061817300529 (3.06317% change)
linmin: converged after 3 iterations.
- iteration 19: trace = 0.00438316601402464 (1.24463% change)
+ iteration 19: trace = 0.004383166020863904 (1.24463% change)
large trace change predicted (8.78014%)
linmin: converged after 6 iterations.
- iteration 20: trace = 0.003741707616867863 (15.79% change)
+ iteration 20: trace = 0.003741707625962468 (15.79% change)
linmin: converged after 6 iterations.
- iteration 21: trace = 0.003291730456564279 (12.7954% change)
+ iteration 21: trace = 0.003291730464672096 (12.7954% change)
linmin: converged after 3 iterations.
- iteration 22: trace = 0.003232963605492641 (1.80137% change)
+ iteration 22: trace = 0.003232963613330976 (1.80137% change)
linmin: converged after 5 iterations.
- iteration 23: trace = 0.003104832642680174 (4.04339% change)
+ iteration 23: trace = 0.003104832650860507 (4.04339% change)
linmin: converged after 6 iterations.
- iteration 24: trace = 0.002803732815933639 (10.192% change)
+ iteration 24: trace = 0.002803732823570167 (10.192% change)
linmin: converged after 4 iterations.
- iteration 25: trace = 0.002725499787831527 (2.8298% change)
+ iteration 25: trace = 0.002725499795014969 (2.8298% change)
linmin: converged after 3 iterations.
- iteration 26: trace = 0.002688778920353689 (1.35645% change)
+ iteration 26: trace = 0.002688778927662695 (1.35645% change)
large trace change predicted (6.77346%)
linmin: converged after 5 iterations.
- iteration 27: trace = 0.002453217035233222 (9.16227% change)
+ iteration 27: trace = 0.002453217044062932 (9.16227% change)
linmin: converged after 6 iterations.
- iteration 28: trace = 0.002048239450115387 (17.9932% change)
+ iteration 28: trace = 0.002048239458495249 (17.9932% change)
linmin: converged after 4 iterations.
- iteration 29: trace = 0.001947146658689011 (5.06048% change)
+ iteration 29: trace = 0.001947146666345405 (5.06048% change)
linmin: converged after 3 iterations.
- iteration 30: trace = 0.001921857255198897 (1.30728% change)
+ iteration 30: trace = 0.001921857262743795 (1.30728% change)
large trace change predicted (3.48607%)
linmin: converged after 4 iterations.
- iteration 31: trace = 0.001848427630163147 (3.89518% change)
+ iteration 31: trace = 0.001848427637753061 (3.89518% change)
linmin: converged after 5 iterations.
- iteration 32: trace = 0.001707910796829429 (7.90233% change)
+ iteration 32: trace = 0.001707910804402407 (7.90233% change)
linmin: converged after 3 iterations.
- iteration 33: trace = 0.001660392694279697 (2.82149% change)
+ iteration 33: trace = 0.001660392701795978 (2.82149% change)
linmin: converged after 3 iterations.
- iteration 34: trace = 0.001636012390877175 (1.47921% change)
+ iteration 34: trace = 0.00163601239841142 (1.47921% change)
large trace change predicted (5.18152%)
linmin: converged after 4 iterations.
- iteration 35: trace = 0.001540609381198778 (6.00657% change)
+ iteration 35: trace = 0.001540609388946792 (6.00657% change)
linmin: converged after 5 iterations.
- iteration 36: trace = 0.001345179659130357 (13.5443% change)
+ iteration 36: trace = 0.001345179667105351 (13.5443% change)
linmin: converged after 4 iterations.
- iteration 37: trace = 0.001269484303369937 (5.79006% change)
+ iteration 37: trace = 0.001269484311269727 (5.79006% change)
linmin: converged after 3 iterations.
- iteration 38: trace = 0.00124595473258455 (1.87081% change)
+ iteration 38: trace = 0.001245954740368374 (1.87081% change)
linmin: converged after 3 iterations.
- iteration 39: trace = 0.001204877453793583 (3.35211% change)
+ iteration 39: trace = 0.001204877461275777 (3.35211% change)
linmin: converged after 4 iterations.
- iteration 40: trace = 0.001128884034380323 (6.51253% change)
+ iteration 40: trace = 0.001128884041444548 (6.51253% change)
linmin: converged after 3 iterations.
- iteration 41: trace = 0.001095136820478046 (3.03479% change)
+ iteration 41: trace = 0.001095136827422327 (3.03479% change)
linmin: converged after 4 iterations.
- iteration 42: trace = 0.001083916125271786 (1.02987% change)
+ iteration 42: trace = 0.001083916132202665 (1.02987% change)
linmin: converged after 3 iterations.
- iteration 43: trace = 0.001063426112071413 (1.90841% change)
+ iteration 43: trace = 0.001063426119037512 (1.90841% change)
large trace change predicted (5.48869%)
linmin: converged after 4 iterations.
- iteration 44: trace = 0.0009999651536852572 (6.15113% change)
+ iteration 44: trace = 0.0009999651606262207 (6.15113% change)
linmin: converged after 4 iterations.
- iteration 45: trace = 0.0009474780881622484 (5.39036% change)
+ iteration 45: trace = 0.0009474780948363509 (5.39036% change)
linmin: converged after 3 iterations.
- iteration 46: trace = 0.0009311870143909756 (1.73432% change)
+ iteration 46: trace = 0.0009311870209754286 (1.73432% change)
linmin: converged after 4 iterations.
- iteration 47: trace = 0.0009179318538772493 (1.43367% change)
+ iteration 47: trace = 0.0009179318604942043 (1.43367% change)
large trace change predicted (3.95373%)
linmin: converged after 3 iterations.
- iteration 48: trace = 0.000880068055644531 (4.21177% change)
+ iteration 48: trace = 0.0008800680624236033 (4.21177% change)
linmin: converged after 3 iterations.
- iteration 49: trace = 0.0008282748430209194 (6.06356% change)
+ iteration 49: trace = 0.0008282748496241889 (6.06356% change)
linmin: converged after 4 iterations.
- iteration 50: trace = 0.0008098098586010984 (2.25446% change)
+ iteration 50: trace = 0.0008098098650128671 (2.25446% change)
linmin: converged after 4 iterations.
- iteration 51: trace = 0.0008037279013024407 (0.753866% change)
+ iteration 51: trace = 0.000803727907667054 (0.753866% change)
linmin: converged after 4 iterations.
- iteration 52: trace = 0.0007947097569508062 (1.12837% change)
+ iteration 52: trace = 0.0007947097633189683 (1.12837% change)
large trace change predicted (2.65329%)
linmin: converged after 3 iterations.
- iteration 53: trace = 0.0007730802219368811 (2.75924% change)
+ iteration 53: trace = 0.0007730802283003459 (2.75924% change)
linmin: converged after 4 iterations.
- iteration 54: trace = 0.0007567571063197923 (2.13397% change)
+ iteration 54: trace = 0.0007567571125824832 (2.13397% change)
linmin: converged after 4 iterations.
- iteration 55: trace = 0.000751426980649221 (0.706827% change)
+ iteration 55: trace = 0.0007514269868695347 (0.706827% change)
linmin: converged after 4 iterations.
- iteration 56: trace = 0.0007468879897502856 (0.605879% change)
+ iteration 56: trace = 0.0007468879959671537 (0.605879% change)
large trace change predicted (1.79868%)
linmin: converged after 4 iterations.
- iteration 57: trace = 0.0007332382876161394 (1.8444% change)
+ iteration 57: trace = 0.00073323829387571 (1.8444% change)
linmin: converged after 3 iterations.
- iteration 58: trace = 0.0007091847681686304 (3.33515% change)
+ iteration 58: trace = 0.0007091847744003555 (3.33515% change)
linmin: converged after 4 iterations.
- iteration 59: trace = 0.000697460113919857 (1.66704% change)
+ iteration 59: trace = 0.0006974601200729702 (1.66704% change)
linmin: converged after 4 iterations.
- iteration 60: trace = 0.0006926125195355992 (0.697459% change)
+ iteration 60: trace = 0.0006926125256631087 (0.697459% change)
linmin: converged after 4 iterations.
- iteration 61: trace = 0.0006853107633063429 (1.05982% change)
+ iteration 61: trace = 0.0006853107694293103 (1.05982% change)
linmin: converged after 4 iterations.
- iteration 62: trace = 0.0006710414539639322 (2.10407% change)
+ iteration 62: trace = 0.0006710414600158428 (2.10407% change)
linmin: converged after 4 iterations.
- iteration 63: trace = 0.0006622634805351842 (1.31672% change)
+ iteration 63: trace = 0.0006622634864719859 (1.31672% change)
linmin: converged after 4 iterations.
- iteration 64: trace = 0.0006597098183746356 (0.386341% change)
+ iteration 64: trace = 0.000659709824279411 (0.386341% change)
linmin: converged after 4 iterations.
- iteration 65: trace = 0.0006578341833856041 (0.284717% change)
+ iteration 65: trace = 0.0006578341892949849 (0.284717% change)
large trace change predicted (0.792077%)
linmin: converged after 4 iterations.
- iteration 66: trace = 0.0006525900666344896 (0.800369% change)
+ iteration 66: trace = 0.0006525900725874763 (0.800369% change)
linmin: converged after 4 iterations.
- iteration 67: trace = 0.0006423889557766171 (1.57549% change)
+ iteration 67: trace = 0.000642388961685999 (1.57549% change)
linmin: converged after 4 iterations.
- iteration 68: trace = 0.0006367222296475303 (0.886041% change)
+ iteration 68: trace = 0.0006367222354566554 (0.886041% change)
linmin: converged after 4 iterations.
- iteration 69: trace = 0.0006343807315119314 (0.36842% change)
+ iteration 69: trace = 0.0006343807372973155 (0.36842% change)
resetting CG direction...
linmin: converged after 3 iterations.
- iteration 70: trace = 0.0006336539325867029 (0.114634% change)
+ iteration 70: trace = 0.0006336539383712605 (0.114634% change)
large trace change predicted (0.602878%)
linmin: converged after 3 iterations.
- iteration 71: trace = 0.0006298361444676808 (0.604324% change)
+ iteration 71: trace = 0.0006298361502404347 (0.604324% change)
large trace change predicted (1.59666%)
linmin: converged after 3 iterations.
- iteration 72: trace = 0.0006197950705668873 (1.60705% change)
+ iteration 72: trace = 0.0006197950784855538 (1.60705% change)
linmin: converged after 3 iterations.
- iteration 73: trace = 0.0006145237711094804 (0.854123% change)
+ iteration 73: trace = 0.0006145237767925286 (0.854123% change)
linmin: converged after 3 iterations.
- iteration 74: trace = 0.00060943528135768 (0.83148% change)
- large trace change predicted (3.28751%)
+ iteration 74: trace = 0.000609435291222769 (0.83148% change)
+ large trace change predicted (3.28752%)
linmin: converged after 3 iterations.
- iteration 75: trace = 0.0005894510758235764 (3.33379% change)
+ iteration 75: trace = 0.0005894510813689335 (3.3338% change)
linmin: converged after 4 iterations.
- iteration 76: trace = 0.0005738959926328641 (2.67419% change)
+ iteration 76: trace = 0.000573895998218523 (2.67419% change)
linmin: converged after 2 iterations.
- iteration 77: trace = 0.0005734237136369151 (0.0823274% change)
+ iteration 77: trace = 0.0005734237191076151 (0.0823274% change)
linmin: converged after 3 iterations.
- iteration 78: trace = 0.0005728368852598585 (0.10239% change)
+ iteration 78: trace = 0.0005728368909269688 (0.10239% change)
large trace change predicted (0.937866%)
linmin: converged after 3 iterations.
- iteration 79: trace = 0.0005674860345540375 (0.93848% change)
+ iteration 79: trace = 0.0005674860400195972 (0.93848% change)
linmin: converged after 3 iterations.
- iteration 80: trace = 0.0005634781408502864 (0.708757% change)
+ iteration 80: trace = 0.0005634781462050233 (0.708757% change)
linmin: converged after 3 iterations.
- iteration 81: trace = 0.0005628279160634426 (0.115461% change)
+ iteration 81: trace = 0.0005628279215195455 (0.115461% change)
linmin: converged after 3 iterations.
- iteration 82: trace = 0.000562401753440582 (0.0757468% change)
+ iteration 82: trace = 0.0005624017587803822 (0.0757468% change)
linmin: converged after 3 iterations.
- iteration 83: trace = 0.0005615784873196465 (0.146491% change)
+ iteration 83: trace = 0.0005615784927467394 (0.146491% change)
large trace change predicted (0.462977%)
linmin: converged after 3 iterations.
- iteration 84: trace = 0.0005590077447160486 (0.458821% change)
+ iteration 84: trace = 0.0005590077500580899 (0.458821% change)
linmin: converged after 3 iterations.
- iteration 85: trace = 0.0005587367968293207 (0.0484812% change)
+ iteration 85: trace = 0.0005587368022629768 (0.0484812% change)
linmin: converged after 3 iterations.
- iteration 86: trace = 0.0005585444822600169 (0.0344255% change)
- large trace change predicted (0.0980601%)
+ iteration 86: trace = 0.0005585444875551931 (0.0344255% change)
+ large trace change predicted (0.09806%)
linmin: converged after 3 iterations.
- iteration 87: trace = 0.0005579974496586074 (0.0979869% change)
+ iteration 87: trace = 0.0005579974550874225 (0.0979869% change)
linmin: converged after 2 iterations.
- iteration 88: trace = 0.0005574604257531709 (0.0962876% change)
+ iteration 88: trace = 0.0005574604311120414 (0.0962876% change)
linmin: converged after 2 iterations.
- iteration 89: trace = 0.0005573550060506588 (0.0189125% change)
+ iteration 89: trace = 0.0005573550114442508 (0.0189125% change)
linmin: converged after 2 iterations.
- iteration 90: trace = 0.0005572367068811221 (0.0212274% change)
+ iteration 90: trace = 0.0005572367121219963 (0.0212274% change)
large trace change predicted (0.173746%)
linmin: converged after 4 iterations.
- iteration 91: trace = 0.0005562649067894762 (0.174548% change)
+ iteration 91: trace = 0.0005562649121706465 (0.174548% change)
linmin: converged after 2 iterations.
- iteration 92: trace = 0.0005560155397419369 (0.0448389% change)
+ iteration 92: trace = 0.000556015545082571 (0.0448389% change)
linmin: converged after 2 iterations.
- iteration 93: trace = 0.0005558214361062283 (0.0349158% change)
+ iteration 93: trace = 0.0005558214414858337 (0.0349158% change)
linmin: converged after 2 iterations.
- iteration 94: trace = 0.0005556746041428932 (0.0264206% change)
+ iteration 94: trace = 0.0005556746092447472 (0.0264207% change)
large trace change predicted (0.0768704%)
linmin: converged after 3 iterations.
- iteration 95: trace = 0.0005552475251490131 (0.0768873% change)
+ iteration 95: trace = 0.0005552475305168484 (0.0768872% change)
linmin: converged after 2 iterations.
- iteration 96: trace = 0.0005549565338333275 (0.0524212% change)
+ iteration 96: trace = 0.0005549565391504256 (0.0524212% change)
linmin: converged after 2 iterations.
- iteration 97: trace = 0.0005545759572209267 (0.0686013% change)
+ iteration 97: trace = 0.0005545759625785963 (0.0686012% change)
linmin: converged after 2 iterations.
- iteration 98: trace = 0.0005545580205542874 (0.00323436% change)
+ iteration 98: trace = 0.0005545580258696537 (0.00323436% change)
large trace change predicted (0.0788885%)
linmin: converged after 3 iterations.
- iteration 99: trace = 0.0005541184588816557 (0.0792948% change)
+ iteration 99: trace = 0.00055411846426551 (0.0792948% change)
linmin: converged after 2 iterations.
- iteration 100: trace = 0.000554082736280887 (0.00644695% change)
+ iteration 100: trace = 0.0005540827416458937 (0.00644696% change)
large trace change predicted (0.0221441%)
linmin: converged after 2 iterations.
- iteration 101: trace = 0.0005539598592354416 (0.0221791% change)
+ iteration 101: trace = 0.0005539598645882885 (0.0221791% change)
linmin: converged after 2 iterations.
- iteration 102: trace = 0.0005539509588129941 (0.0016067% change)
+ iteration 102: trace = 0.0005539509641368791 (0.00160671% change)
large trace change predicted (0.0194904%)
linmin: converged after 2 iterations.
- iteration 103: trace = 0.0005538429254436012 (0.0195042% change)
+ iteration 103: trace = 0.0005538429308002455 (0.0195042% change)
linmin: converged after 2 iterations.
- iteration 104: trace = 0.0005538212457364587 (0.00391449% change)
+ iteration 104: trace = 0.0005538212510818653 (0.00391449% change)
large trace change predicted (0.00948118%)
linmin: converged after 3 iterations.
- iteration 105: trace = 0.0005537687439932844 (0.00948036% change)
+ iteration 105: trace = 0.0005537687493456982 (0.00948036% change)
linmin: converged after 3 iterations.
- iteration 106: trace = 0.0005537545211433081 (0.00256841% change)
+ iteration 106: trace = 0.0005537545264203815 (0.00256842% change)
large trace change predicted (0.0139068%)
linmin: converged after 3 iterations.
- iteration 107: trace = 0.0005536775773464506 (0.0138959% change)
+ iteration 107: trace = 0.0005536775826951027 (0.0138959% change)
linmin: converged after 2 iterations.
- iteration 108: trace = 0.0005536699660741084 (0.00137469% change)
+ iteration 108: trace = 0.000553669971418078 (0.00137469% change)
large trace change predicted (0.0109183%)
linmin: converged after 3 iterations.
- iteration 109: trace = 0.0005536095366249503 (0.0109149% change)
+ iteration 109: trace = 0.0005536095419715826 (0.0109149% change)
linmin: converged after 2 iterations.
- iteration 110: trace = 0.000553607371353823 (0.00039112% change)
+ iteration 110: trace = 0.0005536073766916744 (0.000391121% change)
large trace change predicted (0.00997282%)
linmin: converged after 2 iterations.
- iteration 111: trace = 0.0005535521251509467 (0.00997981% change)
+ iteration 111: trace = 0.0005535521304989175 (0.00997981% change)
linmin: converged after 2 iterations.
- iteration 112: trace = 0.0005535500065698937 (0.000382725% change)
+ iteration 112: trace = 0.0005535500119166871 (0.000382726% change)
large trace change predicted (0.00221526%)
linmin: converged after 2 iterations.
- iteration 113: trace = 0.0005535377419750228 (0.00221565% change)
+ iteration 113: trace = 0.0005535377473214596 (0.00221565% change)
linmin: converged after 2 iterations.
- iteration 114: trace = 0.000553537118418105 (0.000112649% change)
+ iteration 114: trace = 0.0005535371237610948 (0.00011265% change)
large trace change predicted (0.00299101%)
linmin: converged after 2 iterations.
- iteration 115: trace = 0.0005535205612298634 (0.00299121% change)
+ iteration 115: trace = 0.0005535205665764986 (0.00299121% change)
linmin: converged after 2 iterations.
- iteration 116: trace = 0.0005535202653339104 (5.34571e-05% change)
+ iteration 116: trace = 0.0005535202706804489 (5.34571e-05% change)
large trace change predicted (0.00100099%)
linmin: converged after 2 iterations.
- iteration 117: trace = 0.0005535147247990519 (0.00100097% change)
+ iteration 117: trace = 0.0005535147301455126 (0.00100097% change)
linmin: converged after 2 iterations.
- iteration 118: trace = 0.0005535144175622872 (5.55065e-05% change)
+ iteration 118: trace = 0.0005535144229078263 (5.55067e-05% change)
large trace change predicted (0.00104748%)
linmin: converged after 2 iterations.
- iteration 119: trace = 0.0005535086196230836 (0.00104748% change)
+ iteration 119: trace = 0.0005535086249695093 (0.00104748% change)
linmin: converged after 2 iterations.
- iteration 120: trace = 0.0005535083215648867 (5.38489e-05% change)
- large trace change predicted (0.00126844%)
+ iteration 120: trace = 0.0005535083269111632 (5.38489e-05% change)
+ large trace change predicted (0.00126845%)
linmin: converged after 2 iterations.
- iteration 121: trace = 0.000553501300606613 (0.00126845% change)
+ iteration 121: trace = 0.0005535013059522839 (0.00126845% change)
linmin: converged after 2 iterations.
- iteration 122: trace = 0.0005535011944199211 (1.91845e-05% change)
+ iteration 122: trace = 0.0005535011997656965 (1.91845e-05% change)
large trace change predicted (0.000431366%)
linmin: converged after 2 iterations.
- iteration 123: trace = 0.0005534988068541548 (0.000431358% change)
+ iteration 123: trace = 0.0005534988122002893 (0.000431358% change)
linmin: converged after 2 iterations.
- iteration 124: trace = 0.0005534985640390089 (4.38691e-05% change)
+ iteration 124: trace = 0.0005534985693850606 (4.38692e-05% change)
large trace change predicted (0.000714089%)
linmin: converged after 2 iterations.
- iteration 125: trace = 0.0005534946117593462 (0.000714057% change)
+ iteration 125: trace = 0.0005534946171050815 (0.000714057% change)
linmin: converged after 2 iterations.
- iteration 126: trace = 0.0005534945788373303 (5.94803e-06% change)
+ iteration 126: trace = 0.0005534945841831557 (5.94801e-06% change)
large trace change predicted (0.000246508%)
linmin: converged after 2 iterations.
- iteration 127: trace = 0.0005534932144790149 (0.000246499% change)
+ iteration 127: trace = 0.0005534932198247533 (0.000246499% change)
linmin: converged after 2 iterations.
- iteration 128: trace = 0.000553493126824452 (1.58366e-05% change)
+ iteration 128: trace = 0.000553493132170315 (1.58366e-05% change)
large trace change predicted (0.000135235%)
linmin: converged after 2 iterations.
- iteration 129: trace = 0.0005534923783125213 (0.000135234% change)
+ iteration 129: trace = 0.0005534923836579039 (0.000135234% change)
linmin: converged after 2 iterations.
- iteration 130: trace = 0.0005534923348362062 (7.85491e-06% change)
+ iteration 130: trace = 0.0005534923401820729 (7.85482e-06% change)
large trace change predicted (2.09979e-05%)
linmin: converged after 2 iterations.
- iteration 131: trace = 0.0005534922186141838 (2.09979e-05% change)
+ iteration 131: trace = 0.0005534922239600058 (2.0998e-05% change)
linmin: converged after 2 iterations.
- iteration 132: trace = 0.0005534922027679995 (2.86295e-06% change)
+ iteration 132: trace = 0.0005534922081138478 (2.86294e-06% change)
large trace change predicted (4.04808e-05%)
linmin: converged after 2 iterations.
- iteration 133: trace = 0.0005534919787108443 (4.04806e-05% change)
+ iteration 133: trace = 0.0005534919840565487 (4.04807e-05% change)
linmin: converged after 1 iterations.
- iteration 134: trace = 0.0005534919610224172 (3.19579e-06% change)
+ iteration 134: trace = 0.0005534919663682659 (3.19576e-06% change)
large trace change predicted (2.36162e-05%)
linmin: converged after 2 iterations.
- iteration 135: trace = 0.0005534918303092458 (2.36161e-05% change)
+ iteration 135: trace = 0.0005534918356550618 (2.36161e-05% change)
linmin: converged after 2 iterations.
- iteration 136: trace = 0.0005534918202303496 (1.82097e-06% change)
+ iteration 136: trace = 0.0005534918255761885 (1.82096e-06% change)
large trace change predicted (2.26881e-05%)
linmin: converged after 2 iterations.
- iteration 137: trace = 0.0005534916946538004 (2.26881e-05% change)
+ iteration 137: trace = 0.0005534916999995888 (2.26881e-05% change)
linmin: converged after 2 iterations.
- iteration 138: trace = 0.0005534916896900589 (8.96805e-07% change)
+ iteration 138: trace = 0.0005534916950358841 (8.96798e-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: 1.0508711338043213
-total elapsed time for run: 1.064584493637085
+elapsed time for k point: 8.136969327926636
+total elapsed time for run: 8.162670373916626
done
Initializing eigensolver data
Computing 1 bands with 1e-08 tolerance
@@ -72484,332 +72503,332 @@
Initializing fields to random numbers...
1 k-points
Vector3<0.5, 0.5, 0.0>
-elapsed time for initialization: 0.013569831848144531
+elapsed time for initialization: 0.04707980155944824
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)
+ iteration 1: trace = 0.01396271777790278 (199.998% change)
linmin: converged after 7 iterations.
- iteration 2: trace = 0.01327684378988494 (5.03587% change)
+ iteration 2: trace = 0.01327684378988491 (5.03587% change)
linmin: converged after 5 iterations.
- iteration 3: trace = 0.01313325505801897 (1.08738% change)
+ iteration 3: trace = 0.01313325505801898 (1.08738% change)
near maximum in trace
linmin: converged after 6 iterations.
- iteration 4: trace = 0.01143107373086751 (13.859% change)
+ iteration 4: trace = 0.0114310737308695 (13.859% change)
linmin: converged after 8 iterations.
- iteration 5: trace = 0.01057169177201346 (7.81158% change)
+ iteration 5: trace = 0.01057169177201646 (7.81158% change)
linmin: converged after 6 iterations.
- iteration 6: trace = 0.01011490408595885 (4.41627% change)
+ iteration 6: trace = 0.01011490408595845 (4.41627% change)
linmin: converged after 6 iterations.
- iteration 7: trace = 0.009876993404162249 (2.38007% change)
+ iteration 7: trace = 0.009876993404164151 (2.38007% change)
linmin: converged after 8 iterations.
- iteration 8: trace = 0.008846068608242481 (11.0124% change)
+ iteration 8: trace = 0.008846068608242092 (11.0124% change)
linmin: converged after 6 iterations.
- iteration 9: trace = 0.008517042221225433 (3.78995% change)
+ iteration 9: trace = 0.008517042221224369 (3.78995% change)
linmin: converged after 5 iterations.
- iteration 10: trace = 0.00832626873940006 (2.26527% change)
+ iteration 10: trace = 0.00832626873939284 (2.26527% change)
large trace change predicted (6.09955%)
linmin: converged after 8 iterations.
- iteration 11: trace = 0.007074915363939102 (16.2501% change)
+ iteration 11: trace = 0.007074915363951925 (16.2501% change)
linmin: converged after 5 iterations.
- iteration 12: trace = 0.006842447679843291 (3.34069% change)
+ iteration 12: trace = 0.006842447679848838 (3.34069% change)
linmin: converged after 5 iterations.
- iteration 13: trace = 0.006644462857834297 (2.93596% change)
+ iteration 13: trace = 0.006644462857865458 (2.93596% change)
linmin: converged after 8 iterations.
- iteration 14: trace = 0.005865808909951857 (12.4482% change)
+ iteration 14: trace = 0.005865808909926261 (12.4482% change)
linmin: converged after 5 iterations.
- iteration 15: trace = 0.005690964406081024 (3.02584% change)
+ iteration 15: trace = 0.005690964406031785 (3.02584% change)
linmin: converged after 5 iterations.
- iteration 16: trace = 0.005359509169335017 (5.99893% change)
+ iteration 16: trace = 0.005359509169313643 (5.99893% change)
linmin: converged after 6 iterations.
- iteration 17: trace = 0.004560608210192853 (16.1067% change)
+ iteration 17: trace = 0.004560608210186273 (16.1067% change)
linmin: converged after 4 iterations.
- iteration 18: trace = 0.004423220918544907 (3.05855% change)
+ iteration 18: trace = 0.004423220918553953 (3.05855% change)
linmin: converged after 3 iterations.
- iteration 19: trace = 0.00436809876776977 (1.25401% change)
+ iteration 19: trace = 0.004368098767771484 (1.25401% change)
large trace change predicted (8.81704%)
linmin: converged after 6 iterations.
- iteration 20: trace = 0.003725892430853529 (15.8687% change)
+ iteration 20: trace = 0.003725892430766089 (15.8687% change)
linmin: converged after 6 iterations.
- iteration 21: trace = 0.003276517527400207 (12.8349% change)
+ iteration 21: trace = 0.003276517527371248 (12.8349% change)
linmin: converged after 3 iterations.
- iteration 22: trace = 0.003217890899338552 (1.80545% change)
+ iteration 22: trace = 0.003217890899321256 (1.80545% change)
linmin: converged after 5 iterations.
- iteration 23: trace = 0.003089917728505118 (4.05761% change)
+ iteration 23: trace = 0.00308991772844423 (4.05761% change)
linmin: converged after 6 iterations.
- iteration 24: trace = 0.00278908926678575 (10.234% change)
+ iteration 24: trace = 0.002789089266756519 (10.234% change)
linmin: converged after 4 iterations.
- iteration 25: trace = 0.002710905816131881 (2.84304% change)
+ iteration 25: trace = 0.002710905816141527 (2.84304% change)
linmin: converged after 3 iterations.
- iteration 26: trace = 0.002674218653190542 (1.36254% change)
+ iteration 26: trace = 0.002674218653192085 (1.36254% change)
large trace change predicted (6.80505%)
linmin: converged after 5 iterations.
- iteration 27: trace = 0.002438971014302274 (9.2016% change)
+ iteration 27: trace = 0.002438971014189333 (9.2016% change)
linmin: converged after 6 iterations.
- iteration 28: trace = 0.002034189826770492 (18.0982% change)
+ iteration 28: trace = 0.002034189826698968 (18.0982% change)
linmin: converged after 4 iterations.
- iteration 29: trace = 0.001933181583200286 (5.09195% change)
+ iteration 29: trace = 0.001933181583176571 (5.09195% change)
linmin: converged after 3 iterations.
- iteration 30: trace = 0.001907998976228637 (1.31119% change)
+ iteration 30: trace = 0.00190799897620217 (1.31119% change)
large trace change predicted (3.49571%)
linmin: converged after 4 iterations.
- iteration 31: trace = 0.00183491999308899 (3.90492% change)
+ iteration 31: trace = 0.001834919993028385 (3.90492% change)
linmin: converged after 5 iterations.
- iteration 32: trace = 0.001694173476535552 (7.97636% change)
+ iteration 32: trace = 0.00169417347652804 (7.97636% change)
linmin: converged after 3 iterations.
- iteration 33: trace = 0.001646416286608148 (2.85921% change)
+ iteration 33: trace = 0.001646416286642192 (2.85921% change)
linmin: converged after 3 iterations.
- iteration 34: trace = 0.001622123538428941 (1.48646% change)
+ iteration 34: trace = 0.001622123538455565 (1.48646% change)
large trace change predicted (5.19533%)
linmin: converged after 4 iterations.
- iteration 35: trace = 0.001527366074264647 (6.01732% change)
+ iteration 35: trace = 0.001527366074215025 (6.01732% change)
linmin: converged after 5 iterations.
- iteration 36: trace = 0.001331717884082528 (13.6861% change)
+ iteration 36: trace = 0.001331717884077404 (13.6861% change)
linmin: converged after 4 iterations.
- iteration 37: trace = 0.001255606316139796 (5.88342% change)
+ iteration 37: trace = 0.001255606316203367 (5.88342% change)
linmin: converged after 3 iterations.
- iteration 38: trace = 0.001232184805753894 (1.88292% change)
+ iteration 38: trace = 0.001232184805812728 (1.88292% change)
linmin: converged after 3 iterations.
- iteration 39: trace = 0.001191709709349359 (3.33967% change)
+ iteration 39: trace = 0.001191709709351213 (3.33967% change)
linmin: converged after 4 iterations.
- iteration 40: trace = 0.001116235433413492 (6.54039% change)
+ iteration 40: trace = 0.001116235433389698 (6.54039% change)
linmin: converged after 3 iterations.
- iteration 41: trace = 0.001082435949680086 (3.07454% change)
+ iteration 41: trace = 0.001082435949684311 (3.07454% change)
linmin: converged after 4 iterations.
- iteration 42: trace = 0.001071218450403025 (1.04172% change)
+ iteration 42: trace = 0.001071218450412578 (1.04172% change)
linmin: converged after 3 iterations.
- iteration 43: trace = 0.001050833573725929 (1.92124% change)
+ iteration 43: trace = 0.001050833573725574 (1.92124% change)
large trace change predicted (5.53279%)
linmin: converged after 4 iterations.
- iteration 44: trace = 0.0009876540752137928 (6.19866% change)
+ iteration 44: trace = 0.0009876540751933365 (6.19866% change)
linmin: converged after 4 iterations.
- iteration 45: trace = 0.0009353335329531078 (5.44159% change)
+ iteration 45: trace = 0.0009353335329439094 (5.44159% change)
linmin: converged after 3 iterations.
- iteration 46: trace = 0.0009190905773000743 (1.75181% change)
+ iteration 46: trace = 0.0009190905772966321 (1.75181% change)
linmin: converged after 4 iterations.
- iteration 47: trace = 0.0009058436032745522 (1.45178% change)
+ iteration 47: trace = 0.0009058436032717826 (1.45178% change)
large trace change predicted (4.00783%)
linmin: converged after 3 iterations.
- iteration 48: trace = 0.0008679705371585446 (4.27024% change)
+ iteration 48: trace = 0.0008679705371545801 (4.27024% change)
linmin: converged after 3 iterations.
- iteration 49: trace = 0.0008163908945075489 (6.12453% change)
+ iteration 49: trace = 0.0008163908945060646 (6.12453% change)
linmin: converged after 4 iterations.
- iteration 50: trace = 0.0007981010811161043 (2.26571% change)
+ iteration 50: trace = 0.000798101081114812 (2.26571% change)
linmin: converged after 4 iterations.
- iteration 51: trace = 0.000792080942066173 (0.757164% change)
+ iteration 51: trace = 0.0007920809420631715 (0.757164% change)
linmin: converged after 4 iterations.
- iteration 52: trace = 0.0007831096983672058 (1.13907% change)
+ iteration 52: trace = 0.0007831096983602546 (1.13907% change)
large trace change predicted (2.68696%)
linmin: converged after 3 iterations.
- iteration 53: trace = 0.0007615285021840346 (2.79434% change)
+ iteration 53: trace = 0.0007615285021775451 (2.79434% change)
linmin: converged after 4 iterations.
- iteration 54: trace = 0.0007452609271363829 (2.15924% change)
+ iteration 54: trace = 0.0007452609271389511 (2.15924% change)
linmin: converged after 4 iterations.
- iteration 55: trace = 0.0007399621295426494 (0.713536% change)
+ iteration 55: trace = 0.0007399621295476514 (0.713536% change)
linmin: converged after 4 iterations.
- iteration 56: trace = 0.0007354451060879867 (0.612309% change)
+ iteration 56: trace = 0.0007354451060917822 (0.612309% change)
large trace change predicted (1.82266%)
linmin: converged after 4 iterations.
- iteration 57: trace = 0.0007218268493596302 (1.86901% change)
+ iteration 57: trace = 0.0007218268493590878 (1.86901% change)
linmin: converged after 3 iterations.
- iteration 58: trace = 0.0006978564989267484 (3.37686% change)
+ iteration 58: trace = 0.0006978564989339716 (3.37686% change)
linmin: converged after 4 iterations.
- iteration 59: trace = 0.0006862159288712823 (1.68208% change)
+ iteration 59: trace = 0.0006862159288864979 (1.68208% change)
linmin: converged after 4 iterations.
- iteration 60: trace = 0.0006814087152122852 (0.703002% change)
+ iteration 60: trace = 0.0006814087152271418 (0.703002% change)
linmin: converged after 4 iterations.
- iteration 61: trace = 0.0006741507190659303 (1.07085% change)
+ iteration 61: trace = 0.000674150719073478 (1.07085% change)
linmin: converged after 4 iterations.
- iteration 62: trace = 0.0006599995940317512 (2.12137% change)
+ iteration 62: trace = 0.000659999594029403 (2.12137% change)
linmin: converged after 4 iterations.
- iteration 63: trace = 0.0006513439268576874 (1.32012% change)
+ iteration 63: trace = 0.0006513439268553819 (1.32012% change)
linmin: converged after 4 iterations.
- iteration 64: trace = 0.0006488237794719572 (0.387665% change)
+ iteration 64: trace = 0.0006488237794704081 (0.387665% change)
linmin: converged after 4 iterations.
- iteration 65: trace = 0.000646946120200316 (0.289814% change)
+ iteration 65: trace = 0.0006469461201992004 (0.289814% change)
large trace change predicted (0.810595%)
linmin: converged after 4 iterations.
- iteration 66: trace = 0.0006416681505723289 (0.81917% change)
+ iteration 66: trace = 0.0006416681505717652 (0.81917% change)
linmin: converged after 4 iterations.
- iteration 67: trace = 0.0006315484776719334 (1.58962% change)
+ iteration 67: trace = 0.0006315484776703385 (1.58962% change)
linmin: converged after 4 iterations.
- iteration 68: trace = 0.0006260136835025049 (0.880242% change)
+ iteration 68: trace = 0.0006260136834994107 (0.880242% change)
linmin: converged after 4 iterations.
- iteration 69: trace = 0.0006237063576482049 (0.369255% change)
+ iteration 69: trace = 0.000623706357644955 (0.369255% change)
resetting CG direction...
linmin: converged after 3 iterations.
- iteration 70: trace = 0.0006229823627508101 (0.116147% change)
+ iteration 70: trace = 0.0006229823627476594 (0.116147% change)
large trace change predicted (0.609708%)
linmin: converged after 3 iterations.
- iteration 71: trace = 0.0006191863134169669 (0.611197% change)
+ iteration 71: trace = 0.0006191863134140179 (0.611197% change)
large trace change predicted (1.7554%)
linmin: converged after 3 iterations.
- iteration 72: trace = 0.0006083344731408244 (1.76809% change)
+ iteration 72: trace = 0.0006083344731425919 (1.76809% change)
linmin: converged after 3 iterations.
- iteration 73: trace = 0.0006039819544210216 (0.71805% change)
+ iteration 73: trace = 0.0006039819544212199 (0.71805% change)
linmin: converged after 3 iterations.
- iteration 74: trace = 0.0005953481801536223 (1.43977% change)
+ iteration 74: trace = 0.0005953481801851204 (1.43977% change)
linmin: converged after 3 iterations.
- iteration 75: trace = 0.0005790998597475011 (2.76697% change)
+ iteration 75: trace = 0.0005790998597526523 (2.76697% change)
linmin: converged after 4 iterations.
- iteration 76: trace = 0.000563661539392829 (2.70193% change)
+ iteration 76: trace = 0.0005636615393937226 (2.70193% change)
linmin: converged after 2 iterations.
- iteration 77: trace = 0.0005632767885221668 (0.0682825% change)
+ iteration 77: trace = 0.0005632767885226015 (0.0682825% change)
large trace change predicted (0.15294%)
linmin: converged after 3 iterations.
- iteration 78: trace = 0.0005624159234875802 (0.152948% change)
+ iteration 78: trace = 0.0005624159234891336 (0.152948% change)
large trace change predicted (0.911925%)
linmin: converged after 3 iterations.
- iteration 79: trace = 0.0005573063060928142 (0.912658% change)
+ iteration 79: trace = 0.0005573063060984972 (0.912658% change)
linmin: converged after 3 iterations.
- iteration 80: trace = 0.0005534008786971523 (0.703233% change)
+ iteration 80: trace = 0.0005534008786979551 (0.703233% change)
linmin: converged after 3 iterations.
- iteration 81: trace = 0.0005527445947011478 (0.118661% change)
+ iteration 81: trace = 0.0005527445947018674 (0.118661% change)
linmin: converged after 3 iterations.
- iteration 82: trace = 0.0005523222164450896 (0.0764439% change)
+ iteration 82: trace = 0.0005523222164449861 (0.0764439% change)
linmin: converged after 3 iterations.
- iteration 83: trace = 0.0005515161192017575 (0.146053% change)
+ iteration 83: trace = 0.0005515161192022787 (0.146053% change)
large trace change predicted (0.456202%)
linmin: converged after 3 iterations.
- iteration 84: trace = 0.0005490276986448488 (0.452217% change)
+ iteration 84: trace = 0.0005490276986448244 (0.452217% change)
linmin: converged after 3 iterations.
- iteration 85: trace = 0.0005486976231663225 (0.0601381% change)
+ iteration 85: trace = 0.0005486976231663844 (0.0601381% change)
linmin: converged after 3 iterations.
- iteration 86: trace = 0.0005485471397363912 (0.0274293% change)
+ iteration 86: trace = 0.0005485471397361475 (0.0274293% change)
large trace change predicted (0.104834%)
linmin: converged after 3 iterations.
- iteration 87: trace = 0.00054797277156531 (0.104762% change)
+ iteration 87: trace = 0.0005479727715651105 (0.104762% change)
linmin: converged after 2 iterations.
- iteration 88: trace = 0.0005475046960758408 (0.085456% change)
+ iteration 88: trace = 0.0005475046960760042 (0.085456% change)
linmin: converged after 2 iterations.
- iteration 89: trace = 0.0005473526469120759 (0.0277752% change)
+ iteration 89: trace = 0.0005473526469120577 (0.0277752% change)
linmin: converged after 2 iterations.
- iteration 90: trace = 0.0005472800290829545 (0.013268% change)
+ iteration 90: trace = 0.0005472800290825545 (0.013268% change)
large trace change predicted (0.180543%)
linmin: converged after 4 iterations.
- iteration 91: trace = 0.000546288115884633 (0.181409% change)
+ iteration 91: trace = 0.0005462881158847318 (0.181409% change)
linmin: converged after 2 iterations.
- iteration 92: trace = 0.0005461207310624986 (0.0306451% change)
+ iteration 92: trace = 0.0005461207310630182 (0.0306451% change)
linmin: converged after 2 iterations.
- iteration 93: trace = 0.000545850569838057 (0.0494814% change)
+ iteration 93: trace = 0.000545850569838275 (0.0494814% change)
linmin: converged after 2 iterations.
- iteration 94: trace = 0.0005457798751035619 (0.0129521% change)
+ iteration 94: trace = 0.0005457798751032034 (0.0129521% change)
large trace change predicted (0.0900923%)
linmin: converged after 3 iterations.
- iteration 95: trace = 0.0005452882561753853 (0.090117% change)
+ iteration 95: trace = 0.0005452882561753553 (0.090117% change)
linmin: converged after 2 iterations.
- iteration 96: trace = 0.0005451436125567934 (0.0265296% change)
+ iteration 96: trace = 0.0005451436125577784 (0.0265296% change)
large trace change predicted (0.0932169%)
linmin: converged after 2 iterations.
- iteration 97: trace = 0.0005446353773016689 (0.0932731% change)
+ iteration 97: trace = 0.0005446353773016382 (0.0932731% change)
linmin: converged after 2 iterations.
- iteration 98: trace = 0.0005446247544603179 (0.00195047% change)
+ iteration 98: trace = 0.000544624754460285 (0.00195047% change)
large trace change predicted (0.0828773%)
linmin: converged after 3 iterations.
- iteration 99: trace = 0.0005441711389648254 (0.0833242% change)
+ iteration 99: trace = 0.000544171138964733 (0.0833242% change)
linmin: converged after 2 iterations.
- iteration 100: trace = 0.0005441562713014303 (0.0027322% change)
+ iteration 100: trace = 0.0005441562713014224 (0.0027322% change)
large trace change predicted (0.0234901%)
linmin: converged after 2 iterations.
- iteration 101: trace = 0.0005440282539581085 (0.0235286% change)
+ iteration 101: trace = 0.0005440282539580667 (0.0235286% change)
linmin: converged after 2 iterations.
- iteration 102: trace = 0.0005440227592689692 (0.00101001% change)
+ iteration 102: trace = 0.0005440227592689511 (0.00101001% change)
large trace change predicted (0.0204397%)
linmin: converged after 2 iterations.
- iteration 103: trace = 0.0005439114908246065 (0.020455% change)
+ iteration 103: trace = 0.0005439114908245811 (0.020455% change)
linmin: converged after 2 iterations.
- iteration 104: trace = 0.0005439052442574044 (0.00114846% change)
+ iteration 104: trace = 0.0005439052442574365 (0.00114846% change)
large trace change predicted (0.0118837%)
linmin: converged after 3 iterations.
- iteration 105: trace = 0.0005438406202166836 (0.0118822% change)
+ iteration 105: trace = 0.0005438406202166483 (0.0118822% change)
linmin: converged after 2 iterations.
- iteration 106: trace = 0.0005438370058492653 (0.000664603% change)
+ iteration 106: trace = 0.0005438370058492213 (0.000664603% change)
large trace change predicted (0.0154666%)
linmin: converged after 3 iterations.
- iteration 107: trace = 0.0005437529696061 (0.0154537% change)
+ iteration 107: trace = 0.000543752969606081 (0.0154537% change)
linmin: converged after 2 iterations.
- iteration 108: trace = 0.0005437511838659921 (0.000328411% change)
+ iteration 108: trace = 0.0005437511838659896 (0.000328411% change)
large trace change predicted (0.0115138%)
linmin: converged after 3 iterations.
- iteration 109: trace = 0.000543688601906758 (0.01151% change)
+ iteration 109: trace = 0.0005436886019066989 (0.01151% change)
linmin: converged after 2 iterations.
- iteration 110: trace = 0.0005436852057078505 (0.000624661% change)
+ iteration 110: trace = 0.0005436852057078555 (0.000624661% change)
large trace change predicted (0.00985811%)
linmin: converged after 2 iterations.
- iteration 111: trace = 0.0005436315752406215 (0.00986474% change)
+ iteration 111: trace = 0.0005436315752406818 (0.00986474% change)
linmin: converged after 2 iterations.
- iteration 112: trace = 0.0005436284958338397 (0.000566453% change)
+ iteration 112: trace = 0.0005436284958338378 (0.000566453% change)
large trace change predicted (0.0021314%)
linmin: converged after 2 iterations.
- iteration 113: trace = 0.000543616907121645 (0.00213176% change)
+ iteration 113: trace = 0.0005436169071216281 (0.00213176% change)
linmin: converged after 2 iterations.
- iteration 114: trace = 0.0005436159200511469 (0.000181575% change)
+ iteration 114: trace = 0.0005436159200511556 (0.000181575% change)
large trace change predicted (0.00286192%)
linmin: converged after 2 iterations.
- iteration 115: trace = 0.0005436003613042785 (0.00286213% change)
+ iteration 115: trace = 0.0005436003613043309 (0.00286213% change)
linmin: converged after 2 iterations.
- iteration 116: trace = 0.0005435990227764095 (0.000246234% change)
+ iteration 116: trace = 0.0005435990227764261 (0.000246234% change)
large trace change predicted (0.000702071%)
linmin: converged after 2 iterations.
- iteration 117: trace = 0.0005435952063727 (0.000702065% change)
+ iteration 117: trace = 0.0005435952063726551 (0.000702065% change)
linmin: converged after 2 iterations.
- iteration 118: trace = 0.0005435933072447147 (0.000349365% change)
+ iteration 118: trace = 0.0005435933072447255 (0.000349365% change)
large trace change predicted (0.000866676%)
linmin: converged after 2 iterations.
- iteration 119: trace = 0.0005435885960696185 (0.000866677% change)
+ iteration 119: trace = 0.0005435885960696665 (0.000866677% change)
linmin: converged after 2 iterations.
- iteration 120: trace = 0.0005435874257158403 (0.000215302% change)
+ iteration 120: trace = 0.0005435874257158562 (0.000215302% change)
large trace change predicted (0.00086939%)
linmin: converged after 2 iterations.
- iteration 121: trace = 0.000543582699829404 (0.000869392% change)
+ iteration 121: trace = 0.0005435826998293409 (0.000869392% change)
linmin: converged after 2 iterations.
- iteration 122: trace = 0.0005435806841367057 (0.000370817% change)
+ iteration 122: trace = 0.0005435806841367159 (0.000370817% change)
linmin: converged after 2 iterations.
- iteration 123: trace = 0.0005435794454348219 (0.000227878% change)
+ iteration 123: trace = 0.0005435794454348627 (0.000227878% change)
linmin: converged after 2 iterations.
- iteration 124: trace = 0.0005435780840932601 (0.000250441% change)
+ iteration 124: trace = 0.0005435780840932716 (0.000250441% change)
linmin: converged after 2 iterations.
- iteration 125: trace = 0.0005435754863677432 (0.000477895% change)
+ iteration 125: trace = 0.0005435754863677042 (0.000477895% change)
linmin: converged after 2 iterations.
- iteration 126: trace = 0.0005435742830254499 (0.000221376% change)
+ iteration 126: trace = 0.0005435742830254604 (0.000221376% change)
linmin: converged after 2 iterations.
- iteration 127: trace = 0.0005435740402267382 (4.46671e-05% change)
+ iteration 127: trace = 0.0005435740402267594 (4.46671e-05% change)
large trace change predicted (0.000217248%)
linmin: converged after 2 iterations.
- iteration 128: trace = 0.0005435728593590561 (0.000217242% change)
+ iteration 128: trace = 0.0005435728593590648 (0.000217242% change)
linmin: converged after 2 iterations.
- iteration 129: trace = 0.0005435727903942337 (1.26873e-05% change)
+ iteration 129: trace = 0.0005435727903942399 (1.26873e-05% change)
large trace change predicted (0.000125585%)
linmin: converged after 2 iterations.
- iteration 130: trace = 0.000543572107755401 (0.000125584% change)
+ iteration 130: trace = 0.000543572107755412 (0.000125584% change)
linmin: converged after 2 iterations.
- iteration 131: trace = 0.0005435720965422076 (2.06287e-06% change)
+ iteration 131: trace = 0.0005435720965422173 (2.06287e-06% change)
large trace change predicted (1.96188e-05%)
linmin: converged after 2 iterations.
- iteration 132: trace = 0.0005435719898999557 (1.96188e-05% change)
+ iteration 132: trace = 0.0005435719898999652 (1.96188e-05% change)
linmin: converged after 2 iterations.
- iteration 133: trace = 0.0005435719754110457 (2.6655e-06% change)
+ iteration 133: trace = 0.0005435719754110567 (2.6655e-06% change)
large trace change predicted (4.27192e-05%)
linmin: converged after 2 iterations.
- iteration 134: trace = 0.0005435717432022034 (4.27191e-05% change)
+ iteration 134: trace = 0.0005435717432022136 (4.27191e-05% change)
linmin: converged after 2 iterations.
- iteration 135: trace = 0.0005435717317228661 (2.11183e-06% change)
+ iteration 135: trace = 0.00054357173172288 (2.11183e-06% change)
large trace change predicted (2.06095e-05%)
linmin: converged after 2 iterations.
- iteration 136: trace = 0.0005435716196959166 (2.06094e-05% change)
+ iteration 136: trace = 0.000543571619695929 (2.06094e-05% change)
linmin: converged after 2 iterations.
- iteration 137: trace = 0.0005435716102495139 (1.73784e-06% change)
+ iteration 137: trace = 0.0005435716102495204 (1.73784e-06% change)
large trace change predicted (2.10141e-05%)
linmin: converged after 2 iterations.
- iteration 138: trace = 0.0005435714960228586 (2.10141e-05% change)
+ iteration 138: trace = 0.0005435714960228689 (2.10141e-05% change)
linmin: converged after 2 iterations.
- iteration 139: trace = 0.0005435714922129002 (7.00912e-07% change)
+ iteration 139: trace = 0.0005435714922129105 (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: 1.3339262008666992
-total elapsed time for run: 1.3476383686065674
+elapsed time for k point: 12.35654616355896
+total elapsed time for run: 12.40384578704834
done
Initializing eigensolver data
Computing 1 bands with 1e-08 tolerance
@@ -72889,336 +72908,336 @@
Initializing fields to random numbers...
1 k-points
Vector3<0.5, 0.5, 0.0>
-elapsed time for initialization: 0.013219833374023438
+elapsed time for initialization: 0.040979862213134766
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)
+ iteration 1: trace = 0.01396271777790278 (199.998% change)
linmin: converged after 7 iterations.
- iteration 2: trace = 0.01327684378988494 (5.03587% change)
+ iteration 2: trace = 0.01327684378988491 (5.03587% change)
linmin: converged after 5 iterations.
- iteration 3: trace = 0.01313325505801897 (1.08738% change)
+ iteration 3: trace = 0.01313325505801898 (1.08738% change)
near maximum in trace
linmin: converged after 6 iterations.
- iteration 4: trace = 0.01143107373086751 (13.859% change)
+ iteration 4: trace = 0.0114310737308695 (13.859% change)
linmin: converged after 8 iterations.
- iteration 5: trace = 0.01057169177201346 (7.81158% change)
+ iteration 5: trace = 0.01057169177201646 (7.81158% change)
linmin: converged after 6 iterations.
- iteration 6: trace = 0.01011490408595885 (4.41627% change)
+ iteration 6: trace = 0.01011490408595845 (4.41627% change)
linmin: converged after 6 iterations.
- iteration 7: trace = 0.009876993404162249 (2.38007% change)
+ iteration 7: trace = 0.009876993404164151 (2.38007% change)
linmin: converged after 8 iterations.
- iteration 8: trace = 0.008846068608242481 (11.0124% change)
+ iteration 8: trace = 0.008846068608242092 (11.0124% change)
linmin: converged after 6 iterations.
- iteration 9: trace = 0.008517042221225433 (3.78995% change)
+ iteration 9: trace = 0.008517042221224369 (3.78995% change)
linmin: converged after 5 iterations.
- iteration 10: trace = 0.00832626873940006 (2.26527% change)
+ iteration 10: trace = 0.00832626873939284 (2.26527% change)
large trace change predicted (6.09955%)
linmin: converged after 8 iterations.
- iteration 11: trace = 0.007074915363939102 (16.2501% change)
+ iteration 11: trace = 0.007074915363951925 (16.2501% change)
linmin: converged after 5 iterations.
- iteration 12: trace = 0.006842447679843291 (3.34069% change)
+ iteration 12: trace = 0.006842447679848838 (3.34069% change)
linmin: converged after 5 iterations.
- iteration 13: trace = 0.006644462857834297 (2.93596% change)
+ iteration 13: trace = 0.006644462857865458 (2.93596% change)
linmin: converged after 8 iterations.
- iteration 14: trace = 0.005865808909951857 (12.4482% change)
+ iteration 14: trace = 0.005865808909926261 (12.4482% change)
linmin: converged after 5 iterations.
- iteration 15: trace = 0.005690964406081024 (3.02584% change)
+ iteration 15: trace = 0.005690964406031785 (3.02584% change)
linmin: converged after 5 iterations.
- iteration 16: trace = 0.005359509169335017 (5.99893% change)
+ iteration 16: trace = 0.005359509169313643 (5.99893% change)
linmin: converged after 6 iterations.
- iteration 17: trace = 0.004560608210192853 (16.1067% change)
+ iteration 17: trace = 0.004560608210186273 (16.1067% change)
linmin: converged after 4 iterations.
- iteration 18: trace = 0.004423220918544907 (3.05855% change)
+ iteration 18: trace = 0.004423220918553953 (3.05855% change)
linmin: converged after 3 iterations.
- iteration 19: trace = 0.00436809876776977 (1.25401% change)
+ iteration 19: trace = 0.004368098767771484 (1.25401% change)
large trace change predicted (8.81704%)
linmin: converged after 6 iterations.
- iteration 20: trace = 0.003725892430853529 (15.8687% change)
+ iteration 20: trace = 0.003725892430766089 (15.8687% change)
linmin: converged after 6 iterations.
- iteration 21: trace = 0.003276517527400207 (12.8349% change)
+ iteration 21: trace = 0.003276517527371248 (12.8349% change)
linmin: converged after 3 iterations.
- iteration 22: trace = 0.003217890899338552 (1.80545% change)
+ iteration 22: trace = 0.003217890899321256 (1.80545% change)
linmin: converged after 5 iterations.
- iteration 23: trace = 0.003089917728505118 (4.05761% change)
+ iteration 23: trace = 0.00308991772844423 (4.05761% change)
linmin: converged after 6 iterations.
- iteration 24: trace = 0.00278908926678575 (10.234% change)
+ iteration 24: trace = 0.002789089266756519 (10.234% change)
linmin: converged after 4 iterations.
- iteration 25: trace = 0.002710905816131881 (2.84304% change)
+ iteration 25: trace = 0.002710905816141527 (2.84304% change)
linmin: converged after 3 iterations.
- iteration 26: trace = 0.002674218653190542 (1.36254% change)
+ iteration 26: trace = 0.002674218653192085 (1.36254% change)
large trace change predicted (6.80505%)
linmin: converged after 5 iterations.
- iteration 27: trace = 0.002438971014302274 (9.2016% change)
+ iteration 27: trace = 0.002438971014189333 (9.2016% change)
linmin: converged after 6 iterations.
- iteration 28: trace = 0.002034189826770492 (18.0982% change)
+ iteration 28: trace = 0.002034189826698968 (18.0982% change)
linmin: converged after 4 iterations.
- iteration 29: trace = 0.001933181583200286 (5.09195% change)
+ iteration 29: trace = 0.001933181583176571 (5.09195% change)
linmin: converged after 3 iterations.
- iteration 30: trace = 0.001907998976228637 (1.31119% change)
+ iteration 30: trace = 0.00190799897620217 (1.31119% change)
large trace change predicted (3.49571%)
linmin: converged after 4 iterations.
- iteration 31: trace = 0.00183491999308899 (3.90492% change)
+ iteration 31: trace = 0.001834919993028385 (3.90492% change)
linmin: converged after 5 iterations.
- iteration 32: trace = 0.001694173476535552 (7.97636% change)
+ iteration 32: trace = 0.00169417347652804 (7.97636% change)
linmin: converged after 3 iterations.
- iteration 33: trace = 0.001646416286608148 (2.85921% change)
+ iteration 33: trace = 0.001646416286642192 (2.85921% change)
linmin: converged after 3 iterations.
- iteration 34: trace = 0.001622123538428941 (1.48646% change)
+ iteration 34: trace = 0.001622123538455565 (1.48646% change)
large trace change predicted (5.19533%)
linmin: converged after 4 iterations.
- iteration 35: trace = 0.001527366074264647 (6.01732% change)
+ iteration 35: trace = 0.001527366074215025 (6.01732% change)
linmin: converged after 5 iterations.
- iteration 36: trace = 0.001331717884082528 (13.6861% change)
+ iteration 36: trace = 0.001331717884077404 (13.6861% change)
linmin: converged after 4 iterations.
- iteration 37: trace = 0.001255606316139796 (5.88342% change)
+ iteration 37: trace = 0.001255606316203367 (5.88342% change)
linmin: converged after 3 iterations.
- iteration 38: trace = 0.001232184805753894 (1.88292% change)
+ iteration 38: trace = 0.001232184805812728 (1.88292% change)
linmin: converged after 3 iterations.
- iteration 39: trace = 0.001191709709349359 (3.33967% change)
+ iteration 39: trace = 0.001191709709351213 (3.33967% change)
linmin: converged after 4 iterations.
- iteration 40: trace = 0.001116235433413492 (6.54039% change)
+ iteration 40: trace = 0.001116235433389698 (6.54039% change)
linmin: converged after 3 iterations.
- iteration 41: trace = 0.001082435949680086 (3.07454% change)
+ iteration 41: trace = 0.001082435949684311 (3.07454% change)
linmin: converged after 4 iterations.
- iteration 42: trace = 0.001071218450403025 (1.04172% change)
+ iteration 42: trace = 0.001071218450412578 (1.04172% change)
linmin: converged after 3 iterations.
- iteration 43: trace = 0.001050833573725929 (1.92124% change)
+ iteration 43: trace = 0.001050833573725574 (1.92124% change)
large trace change predicted (5.53279%)
linmin: converged after 4 iterations.
- iteration 44: trace = 0.0009876540752137928 (6.19866% change)
+ iteration 44: trace = 0.0009876540751933365 (6.19866% change)
linmin: converged after 4 iterations.
- iteration 45: trace = 0.0009353335329531078 (5.44159% change)
+ iteration 45: trace = 0.0009353335329439094 (5.44159% change)
linmin: converged after 3 iterations.
- iteration 46: trace = 0.0009190905773000743 (1.75181% change)
+ iteration 46: trace = 0.0009190905772966321 (1.75181% change)
linmin: converged after 4 iterations.
- iteration 47: trace = 0.0009058436032745522 (1.45178% change)
+ iteration 47: trace = 0.0009058436032717826 (1.45178% change)
large trace change predicted (4.00783%)
linmin: converged after 3 iterations.
- iteration 48: trace = 0.0008679705371585446 (4.27024% change)
+ iteration 48: trace = 0.0008679705371545801 (4.27024% change)
linmin: converged after 3 iterations.
- iteration 49: trace = 0.0008163908945075489 (6.12453% change)
+ iteration 49: trace = 0.0008163908945060646 (6.12453% change)
linmin: converged after 4 iterations.
- iteration 50: trace = 0.0007981010811161043 (2.26571% change)
+ iteration 50: trace = 0.000798101081114812 (2.26571% change)
linmin: converged after 4 iterations.
- iteration 51: trace = 0.000792080942066173 (0.757164% change)
+ iteration 51: trace = 0.0007920809420631715 (0.757164% change)
linmin: converged after 4 iterations.
- iteration 52: trace = 0.0007831096983672058 (1.13907% change)
+ iteration 52: trace = 0.0007831096983602546 (1.13907% change)
large trace change predicted (2.68696%)
linmin: converged after 3 iterations.
- iteration 53: trace = 0.0007615285021840346 (2.79434% change)
+ iteration 53: trace = 0.0007615285021775451 (2.79434% change)
linmin: converged after 4 iterations.
- iteration 54: trace = 0.0007452609271363829 (2.15924% change)
+ iteration 54: trace = 0.0007452609271389511 (2.15924% change)
linmin: converged after 4 iterations.
- iteration 55: trace = 0.0007399621295426494 (0.713536% change)
+ iteration 55: trace = 0.0007399621295476514 (0.713536% change)
linmin: converged after 4 iterations.
- iteration 56: trace = 0.0007354451060879867 (0.612309% change)
+ iteration 56: trace = 0.0007354451060917822 (0.612309% change)
large trace change predicted (1.82266%)
linmin: converged after 4 iterations.
- iteration 57: trace = 0.0007218268493596302 (1.86901% change)
+ iteration 57: trace = 0.0007218268493590878 (1.86901% change)
linmin: converged after 3 iterations.
- iteration 58: trace = 0.0006978564989267484 (3.37686% change)
+ iteration 58: trace = 0.0006978564989339716 (3.37686% change)
linmin: converged after 4 iterations.
- iteration 59: trace = 0.0006862159288712823 (1.68208% change)
+ iteration 59: trace = 0.0006862159288864979 (1.68208% change)
linmin: converged after 4 iterations.
- iteration 60: trace = 0.0006814087152122852 (0.703002% change)
+ iteration 60: trace = 0.0006814087152271418 (0.703002% change)
linmin: converged after 4 iterations.
- iteration 61: trace = 0.0006741507190659303 (1.07085% change)
+ iteration 61: trace = 0.000674150719073478 (1.07085% change)
linmin: converged after 4 iterations.
- iteration 62: trace = 0.0006599995940317512 (2.12137% change)
+ iteration 62: trace = 0.000659999594029403 (2.12137% change)
linmin: converged after 4 iterations.
- iteration 63: trace = 0.0006513439268576874 (1.32012% change)
+ iteration 63: trace = 0.0006513439268553819 (1.32012% change)
linmin: converged after 4 iterations.
- iteration 64: trace = 0.0006488237794719572 (0.387665% change)
+ iteration 64: trace = 0.0006488237794704081 (0.387665% change)
linmin: converged after 4 iterations.
- iteration 65: trace = 0.000646946120200316 (0.289814% change)
+ iteration 65: trace = 0.0006469461201992004 (0.289814% change)
large trace change predicted (0.810595%)
linmin: converged after 4 iterations.
- iteration 66: trace = 0.0006416681505723289 (0.81917% change)
+ iteration 66: trace = 0.0006416681505717652 (0.81917% change)
linmin: converged after 4 iterations.
- iteration 67: trace = 0.0006315484776719334 (1.58962% change)
+ iteration 67: trace = 0.0006315484776703385 (1.58962% change)
linmin: converged after 4 iterations.
- iteration 68: trace = 0.0006260136835025049 (0.880242% change)
+ iteration 68: trace = 0.0006260136834994107 (0.880242% change)
linmin: converged after 4 iterations.
- iteration 69: trace = 0.0006237063576482049 (0.369255% change)
+ iteration 69: trace = 0.000623706357644955 (0.369255% change)
resetting CG direction...
linmin: converged after 3 iterations.
- iteration 70: trace = 0.0006229823627508101 (0.116147% change)
+ iteration 70: trace = 0.0006229823627476594 (0.116147% change)
large trace change predicted (0.609708%)
linmin: converged after 3 iterations.
- iteration 71: trace = 0.0006191863134169669 (0.611197% change)
+ iteration 71: trace = 0.0006191863134140179 (0.611197% change)
large trace change predicted (1.7554%)
linmin: converged after 3 iterations.
- iteration 72: trace = 0.0006083344731408244 (1.76809% change)
+ iteration 72: trace = 0.0006083344731425919 (1.76809% change)
linmin: converged after 3 iterations.
- iteration 73: trace = 0.0006039819544210216 (0.71805% change)
+ iteration 73: trace = 0.0006039819544212199 (0.71805% change)
linmin: converged after 3 iterations.
- iteration 74: trace = 0.0005953481801536223 (1.43977% change)
+ iteration 74: trace = 0.0005953481801851204 (1.43977% change)
linmin: converged after 3 iterations.
- iteration 75: trace = 0.0005790998597475011 (2.76697% change)
+ iteration 75: trace = 0.0005790998597526523 (2.76697% change)
linmin: converged after 4 iterations.
- iteration 76: trace = 0.000563661539392829 (2.70193% change)
+ iteration 76: trace = 0.0005636615393937226 (2.70193% change)
linmin: converged after 2 iterations.
- iteration 77: trace = 0.0005632767885221668 (0.0682825% change)
+ iteration 77: trace = 0.0005632767885226015 (0.0682825% change)
large trace change predicted (0.15294%)
linmin: converged after 3 iterations.
- iteration 78: trace = 0.0005624159234875802 (0.152948% change)
+ iteration 78: trace = 0.0005624159234891336 (0.152948% change)
large trace change predicted (0.911925%)
linmin: converged after 3 iterations.
- iteration 79: trace = 0.0005573063060928142 (0.912658% change)
+ iteration 79: trace = 0.0005573063060984972 (0.912658% change)
linmin: converged after 3 iterations.
- iteration 80: trace = 0.0005534008786971523 (0.703233% change)
+ iteration 80: trace = 0.0005534008786979551 (0.703233% change)
linmin: converged after 3 iterations.
- iteration 81: trace = 0.0005527445947011478 (0.118661% change)
+ iteration 81: trace = 0.0005527445947018674 (0.118661% change)
linmin: converged after 3 iterations.
- iteration 82: trace = 0.0005523222164450896 (0.0764439% change)
+ iteration 82: trace = 0.0005523222164449861 (0.0764439% change)
linmin: converged after 3 iterations.
- iteration 83: trace = 0.0005515161192017575 (0.146053% change)
+ iteration 83: trace = 0.0005515161192022787 (0.146053% change)
large trace change predicted (0.456202%)
linmin: converged after 3 iterations.
- iteration 84: trace = 0.0005490276986448488 (0.452217% change)
+ iteration 84: trace = 0.0005490276986448244 (0.452217% change)
linmin: converged after 3 iterations.
- iteration 85: trace = 0.0005486976231663225 (0.0601381% change)
+ iteration 85: trace = 0.0005486976231663844 (0.0601381% change)
linmin: converged after 3 iterations.
- iteration 86: trace = 0.0005485471397363912 (0.0274293% change)
+ iteration 86: trace = 0.0005485471397361475 (0.0274293% change)
large trace change predicted (0.104834%)
linmin: converged after 3 iterations.
- iteration 87: trace = 0.00054797277156531 (0.104762% change)
+ iteration 87: trace = 0.0005479727715651105 (0.104762% change)
linmin: converged after 2 iterations.
- iteration 88: trace = 0.0005475046960758408 (0.085456% change)
+ iteration 88: trace = 0.0005475046960760042 (0.085456% change)
linmin: converged after 2 iterations.
- iteration 89: trace = 0.0005473526469120759 (0.0277752% change)
+ iteration 89: trace = 0.0005473526469120577 (0.0277752% change)
linmin: converged after 2 iterations.
- iteration 90: trace = 0.0005472800290829545 (0.013268% change)
+ iteration 90: trace = 0.0005472800290825545 (0.013268% change)
large trace change predicted (0.180543%)
linmin: converged after 4 iterations.
- iteration 91: trace = 0.000546288115884633 (0.181409% change)
+ iteration 91: trace = 0.0005462881158847318 (0.181409% change)
linmin: converged after 2 iterations.
- iteration 92: trace = 0.0005461207310624986 (0.0306451% change)
+ iteration 92: trace = 0.0005461207310630182 (0.0306451% change)
linmin: converged after 2 iterations.
- iteration 93: trace = 0.000545850569838057 (0.0494814% change)
+ iteration 93: trace = 0.000545850569838275 (0.0494814% change)
linmin: converged after 2 iterations.
- iteration 94: trace = 0.0005457798751035619 (0.0129521% change)
+ iteration 94: trace = 0.0005457798751032034 (0.0129521% change)
large trace change predicted (0.0900923%)
linmin: converged after 3 iterations.
- iteration 95: trace = 0.0005452882561753853 (0.090117% change)
+ iteration 95: trace = 0.0005452882561753553 (0.090117% change)
linmin: converged after 2 iterations.
- iteration 96: trace = 0.0005451436125567934 (0.0265296% change)
+ iteration 96: trace = 0.0005451436125577784 (0.0265296% change)
large trace change predicted (0.0932169%)
linmin: converged after 2 iterations.
- iteration 97: trace = 0.0005446353773016689 (0.0932731% change)
+ iteration 97: trace = 0.0005446353773016382 (0.0932731% change)
linmin: converged after 2 iterations.
- iteration 98: trace = 0.0005446247544603179 (0.00195047% change)
+ iteration 98: trace = 0.000544624754460285 (0.00195047% change)
large trace change predicted (0.0828773%)
linmin: converged after 3 iterations.
- iteration 99: trace = 0.0005441711389648254 (0.0833242% change)
+ iteration 99: trace = 0.000544171138964733 (0.0833242% change)
linmin: converged after 2 iterations.
- iteration 100: trace = 0.0005441562713014303 (0.0027322% change)
+ iteration 100: trace = 0.0005441562713014224 (0.0027322% change)
large trace change predicted (0.0234901%)
linmin: converged after 2 iterations.
- iteration 101: trace = 0.0005440282539581085 (0.0235286% change)
+ iteration 101: trace = 0.0005440282539580667 (0.0235286% change)
linmin: converged after 2 iterations.
- iteration 102: trace = 0.0005440227592689692 (0.00101001% change)
+ iteration 102: trace = 0.0005440227592689511 (0.00101001% change)
large trace change predicted (0.0204397%)
linmin: converged after 2 iterations.
- iteration 103: trace = 0.0005439114908246065 (0.020455% change)
+ iteration 103: trace = 0.0005439114908245811 (0.020455% change)
linmin: converged after 2 iterations.
- iteration 104: trace = 0.0005439052442574044 (0.00114846% change)
+ iteration 104: trace = 0.0005439052442574365 (0.00114846% change)
large trace change predicted (0.0118837%)
linmin: converged after 3 iterations.
- iteration 105: trace = 0.0005438406202166836 (0.0118822% change)
+ iteration 105: trace = 0.0005438406202166483 (0.0118822% change)
linmin: converged after 2 iterations.
- iteration 106: trace = 0.0005438370058492653 (0.000664603% change)
+ iteration 106: trace = 0.0005438370058492213 (0.000664603% change)
large trace change predicted (0.0154666%)
linmin: converged after 3 iterations.
- iteration 107: trace = 0.0005437529696061 (0.0154537% change)
+ iteration 107: trace = 0.000543752969606081 (0.0154537% change)
linmin: converged after 2 iterations.
- iteration 108: trace = 0.0005437511838659921 (0.000328411% change)
+ iteration 108: trace = 0.0005437511838659896 (0.000328411% change)
large trace change predicted (0.0115138%)
linmin: converged after 3 iterations.
- iteration 109: trace = 0.000543688601906758 (0.01151% change)
+ iteration 109: trace = 0.0005436886019066989 (0.01151% change)
linmin: converged after 2 iterations.
- iteration 110: trace = 0.0005436852057078505 (0.000624661% change)
+ iteration 110: trace = 0.0005436852057078555 (0.000624661% change)
large trace change predicted (0.00985811%)
linmin: converged after 2 iterations.
- iteration 111: trace = 0.0005436315752406215 (0.00986474% change)
+ iteration 111: trace = 0.0005436315752406818 (0.00986474% change)
linmin: converged after 2 iterations.
- iteration 112: trace = 0.0005436284958338397 (0.000566453% change)
+ iteration 112: trace = 0.0005436284958338378 (0.000566453% change)
large trace change predicted (0.0021314%)
linmin: converged after 2 iterations.
- iteration 113: trace = 0.000543616907121645 (0.00213176% change)
+ iteration 113: trace = 0.0005436169071216281 (0.00213176% change)
linmin: converged after 2 iterations.
- iteration 114: trace = 0.0005436159200511469 (0.000181575% change)
+ iteration 114: trace = 0.0005436159200511556 (0.000181575% change)
large trace change predicted (0.00286192%)
linmin: converged after 2 iterations.
- iteration 115: trace = 0.0005436003613042785 (0.00286213% change)
+ iteration 115: trace = 0.0005436003613043309 (0.00286213% change)
linmin: converged after 2 iterations.
- iteration 116: trace = 0.0005435990227764095 (0.000246234% change)
+ iteration 116: trace = 0.0005435990227764261 (0.000246234% change)
large trace change predicted (0.000702071%)
linmin: converged after 2 iterations.
- iteration 117: trace = 0.0005435952063727 (0.000702065% change)
+ iteration 117: trace = 0.0005435952063726551 (0.000702065% change)
linmin: converged after 2 iterations.
- iteration 118: trace = 0.0005435933072447147 (0.000349365% change)
+ iteration 118: trace = 0.0005435933072447255 (0.000349365% change)
large trace change predicted (0.000866676%)
linmin: converged after 2 iterations.
- iteration 119: trace = 0.0005435885960696185 (0.000866677% change)
+ iteration 119: trace = 0.0005435885960696665 (0.000866677% change)
linmin: converged after 2 iterations.
- iteration 120: trace = 0.0005435874257158403 (0.000215302% change)
+ iteration 120: trace = 0.0005435874257158562 (0.000215302% change)
large trace change predicted (0.00086939%)
linmin: converged after 2 iterations.
- iteration 121: trace = 0.000543582699829404 (0.000869392% change)
+ iteration 121: trace = 0.0005435826998293409 (0.000869392% change)
linmin: converged after 2 iterations.
- iteration 122: trace = 0.0005435806841367057 (0.000370817% change)
+ iteration 122: trace = 0.0005435806841367159 (0.000370817% change)
linmin: converged after 2 iterations.
- iteration 123: trace = 0.0005435794454348219 (0.000227878% change)
+ iteration 123: trace = 0.0005435794454348627 (0.000227878% change)
linmin: converged after 2 iterations.
- iteration 124: trace = 0.0005435780840932601 (0.000250441% change)
+ iteration 124: trace = 0.0005435780840932716 (0.000250441% change)
linmin: converged after 2 iterations.
- iteration 125: trace = 0.0005435754863677432 (0.000477895% change)
+ iteration 125: trace = 0.0005435754863677042 (0.000477895% change)
linmin: converged after 2 iterations.
- iteration 126: trace = 0.0005435742830254499 (0.000221376% change)
+ iteration 126: trace = 0.0005435742830254604 (0.000221376% change)
linmin: converged after 2 iterations.
- iteration 127: trace = 0.0005435740402267382 (4.46671e-05% change)
+ iteration 127: trace = 0.0005435740402267594 (4.46671e-05% change)
large trace change predicted (0.000217248%)
linmin: converged after 2 iterations.
- iteration 128: trace = 0.0005435728593590561 (0.000217242% change)
+ iteration 128: trace = 0.0005435728593590648 (0.000217242% change)
linmin: converged after 2 iterations.
- iteration 129: trace = 0.0005435727903942337 (1.26873e-05% change)
+ iteration 129: trace = 0.0005435727903942399 (1.26873e-05% change)
large trace change predicted (0.000125585%)
linmin: converged after 2 iterations.
- iteration 130: trace = 0.000543572107755401 (0.000125584% change)
+ iteration 130: trace = 0.000543572107755412 (0.000125584% change)
linmin: converged after 2 iterations.
- iteration 131: trace = 0.0005435720965422076 (2.06287e-06% change)
+ iteration 131: trace = 0.0005435720965422173 (2.06287e-06% change)
large trace change predicted (1.96188e-05%)
linmin: converged after 2 iterations.
- iteration 132: trace = 0.0005435719898999557 (1.96188e-05% change)
+ iteration 132: trace = 0.0005435719898999652 (1.96188e-05% change)
linmin: converged after 2 iterations.
- iteration 133: trace = 0.0005435719754110457 (2.6655e-06% change)
+ iteration 133: trace = 0.0005435719754110567 (2.6655e-06% change)
large trace change predicted (4.27192e-05%)
linmin: converged after 2 iterations.
- iteration 134: trace = 0.0005435717432022034 (4.27191e-05% change)
+ iteration 134: trace = 0.0005435717432022136 (4.27191e-05% change)
linmin: converged after 2 iterations.
- iteration 135: trace = 0.0005435717317228661 (2.11183e-06% change)
+ iteration 135: trace = 0.00054357173172288 (2.11183e-06% change)
large trace change predicted (2.06095e-05%)
linmin: converged after 2 iterations.
- iteration 136: trace = 0.0005435716196959166 (2.06094e-05% change)
+ iteration 136: trace = 0.000543571619695929 (2.06094e-05% change)
linmin: converged after 2 iterations.
- iteration 137: trace = 0.0005435716102495139 (1.73784e-06% change)
+ iteration 137: trace = 0.0005435716102495204 (1.73784e-06% change)
large trace change predicted (2.10141e-05%)
linmin: converged after 2 iterations.
- iteration 138: trace = 0.0005435714960228586 (2.10141e-05% change)
+ iteration 138: trace = 0.0005435714960228689 (2.10141e-05% change)
linmin: converged after 2 iterations.
- iteration 139: trace = 0.0005435714922129002 (7.00912e-07% change)
+ iteration 139: trace = 0.0005435714922129105 (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: 1.3716113567352295
-total elapsed time for run: 1.384972095489502
+.elapsed time for k point: 5.337587356567383
+total elapsed time for run: 5.378769874572754
done
-/tmp/meepFBAM2J/test_point_defect_state-0: 97.96s
+/tmp/meepYM7cP9/test_point_defect_state-0: 479.02s
-/tmp/meepFBAM2J/test_poynting-0
+/tmp/meepYM7cP9/test_poynting-0
========================
Initializing eigensolver data
Computing 8 bands with 1e-12 tolerance
@@ -73261,7 +73280,7 @@
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: 0.002454042434692383
+elapsed time for initialization: 0.004141092300415039
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...
@@ -73372,7 +73391,7 @@
iteration 52: trace = 5.548117725324876 (4.74496e-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: 0.38735079765319824
+elapsed time for k point: 0.8708109855651855
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -73623,7 +73642,7 @@
iteration 121: trace = 5.540497242579415 (3.78965e-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: 0.4666123390197754
+elapsed time for k point: 4.322702169418335
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -73680,7 +73699,7 @@
iteration 26: trace = 5.499374946276072 (6.76061e-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: 0.09358525276184082
+elapsed time for k point: 1.304142713546753
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -73733,7 +73752,7 @@
iteration 24: trace = 5.485459080087868 (6.14144e-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: 0.2667827606201172
+elapsed time for k point: 0.9741556644439697
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -73794,7 +73813,7 @@
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: 0.17325901985168457
+elapsed time for k point: 1.4503202438354492
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -73887,7 +73906,7 @@
iteration 44: trace = 5.538866868553965 (9.66452e-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: 0.2697150707244873
+elapsed time for k point: 2.282712936401367
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -73958,7 +73977,7 @@
iteration 33: trace = 5.419797732958394 (9.1099e-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: 0.3469357490539551
+elapsed time for k point: 0.5684585571289062
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -74019,7 +74038,7 @@
iteration 28: trace = 5.240853948733916 (3.69619e-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: 0.17357802391052246
+elapsed time for k point: 0.764970064163208
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -74072,7 +74091,7 @@
iteration 24: trace = 5.09654427341062 (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: 0.2937595844268799
+elapsed time for k point: 0.3530867099761963
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -74124,7 +74143,7 @@
iteration 23: trace = 5.006436496341392 (6.08684e-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: 0.27431583404541016
+elapsed time for k point: 0.3619384765625
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -74178,15 +74197,15 @@
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: 0.11298775672912598
-Outputting fields to /tmp/meepFBAM2J/test_poynting-0-flux.v.k11.b01.te.h5...
-Outputting fields to /tmp/meepFBAM2J/test_poynting-0-flux.v.k11.b02.te.h5...
-Outputting fields to /tmp/meepFBAM2J/test_poynting-0-flux.v.k11.b03.te.h5...
-Outputting fields to /tmp/meepFBAM2J/test_poynting-0-flux.v.k11.b04.te.h5...
-Outputting fields to /tmp/meepFBAM2J/test_poynting-0-flux.v.k11.b05.te.h5...
-Outputting fields to /tmp/meepFBAM2J/test_poynting-0-flux.v.k11.b06.te.h5...
-Outputting fields to /tmp/meepFBAM2J/test_poynting-0-flux.v.k11.b07.te.h5...
-Outputting fields to /tmp/meepFBAM2J/test_poynting-0-flux.v.k11.b08.te.h5...
+elapsed time for k point: 0.2839531898498535
+Outputting fields to /tmp/meepYM7cP9/test_poynting-0-flux.v.k11.b01.te.h5...
+Outputting fields to /tmp/meepYM7cP9/test_poynting-0-flux.v.k11.b02.te.h5...
+Outputting fields to /tmp/meepYM7cP9/test_poynting-0-flux.v.k11.b03.te.h5...
+Outputting fields to /tmp/meepYM7cP9/test_poynting-0-flux.v.k11.b04.te.h5...
+Outputting fields to /tmp/meepYM7cP9/test_poynting-0-flux.v.k11.b05.te.h5...
+Outputting fields to /tmp/meepYM7cP9/test_poynting-0-flux.v.k11.b06.te.h5...
+Outputting fields to /tmp/meepYM7cP9/test_poynting-0-flux.v.k11.b07.te.h5...
+Outputting fields to /tmp/meepYM7cP9/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.
@@ -74227,7 +74246,7 @@
iteration 18: trace = 5.036378479895265 (5.47222e-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: 0.06621050834655762
+elapsed time for k point: 0.7048332691192627
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -74274,7 +74293,7 @@
iteration 21: trace = 5.206566305891685 (3.93717e-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: 0.21835851669311523
+elapsed time for k point: 0.3157997131347656
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -74337,7 +74356,7 @@
iteration 29: trace = 5.417088766409226 (6.14845e-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: 0.10414838790893555
+elapsed time for k point: 0.6080055236816406
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -74410,7 +74429,7 @@
iteration 34: trace = 5.522267645664736 (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: 0.15735936164855957
+elapsed time for k point: 2.4486563205718994
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 5 iterations.
@@ -74605,7 +74624,7 @@
iteration 93: trace = 5.548117725324989 (3.6948e-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: 0.4990701675415039
+..elapsed time for k point: 4.135464668273926
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0>
Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0>
@@ -74617,15 +74636,15 @@
Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383%
Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081%
Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186%
-total elapsed time for run: 4.724714040756226
+total elapsed time for run: 22.787677764892578
done
-/tmp/meepFBAM2J/test_poynting-0: 4.73s
+/tmp/meepYM7cP9/test_poynting-0: 22.83s
-/tmp/meepFBAM2J/test_resolution-0
+/tmp/meepYM7cP9/test_resolution-0
========================
-/tmp/meepFBAM2J/test_resolution-0: 0.00s
+/tmp/meepYM7cP9/test_resolution-0: 0.00s
-/tmp/meepFBAM2J/test_run_te-0
+/tmp/meepYM7cP9/test_run_te-0
========================
Initializing eigensolver data
Computing 8 bands with 1e-12 tolerance
@@ -74668,7 +74687,7 @@
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: 0.001630544662475586
+elapsed time for initialization: 0.011660337448120117
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...
@@ -74779,7 +74798,7 @@
iteration 52: trace = 5.548117725324876 (4.74496e-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: 0.28625965118408203
+elapsed time for k point: 0.7134585380554199
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -75030,7 +75049,7 @@
iteration 121: trace = 5.540497242579415 (3.78965e-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: 1.0119752883911133
+elapsed time for k point: 1.5522956848144531
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -75087,7 +75106,7 @@
iteration 26: trace = 5.499374946276072 (6.76061e-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: 0.17435193061828613
+elapsed time for k point: 0.3961925506591797
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -75140,7 +75159,7 @@
iteration 24: trace = 5.485459080087868 (6.14144e-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: 0.08681106567382812
+elapsed time for k point: 1.0704340934753418
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -75201,7 +75220,7 @@
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: 0.10111713409423828
+elapsed time for k point: 2.020490884780884
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -75294,7 +75313,7 @@
iteration 44: trace = 5.538866868553965 (9.66452e-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: 0.25530457496643066
+elapsed time for k point: 2.638373374938965
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -75365,7 +75384,7 @@
iteration 33: trace = 5.419797732958394 (9.1099e-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: 0.16813087463378906
+elapsed time for k point: 1.8975870609283447
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -75426,7 +75445,7 @@
iteration 28: trace = 5.240853948733916 (3.69619e-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: 0.20375823974609375
+elapsed time for k point: 1.891589879989624
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -75479,7 +75498,7 @@
iteration 24: trace = 5.09654427341062 (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: 0.08660674095153809
+elapsed time for k point: 1.6911756992340088
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -75531,7 +75550,7 @@
iteration 23: trace = 5.006436496341392 (6.08684e-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: 0.24365687370300293
+elapsed time for k point: 0.9320335388183594
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -75583,7 +75602,7 @@
iteration 23: trace = 4.975984265381787 (5.44582e-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: 0.16144800186157227
+elapsed time for k point: 0.5824191570281982
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -75624,7 +75643,7 @@
iteration 18: trace = 5.036378479895265 (5.47222e-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: 0.0656886100769043
+elapsed time for k point: 0.22542715072631836
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -75671,7 +75690,7 @@
iteration 21: trace = 5.206566305891685 (3.93717e-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: 0.07605242729187012
+elapsed time for k point: 0.26151585578918457
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -75734,7 +75753,7 @@
iteration 29: trace = 5.417088766409226 (6.14845e-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: 0.24447131156921387
+elapsed time for k point: 0.6155827045440674
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -75807,7 +75826,7 @@
iteration 34: trace = 5.522267645664736 (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: 0.1218271255493164
+elapsed time for k point: 0.7446508407592773
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 5 iterations.
@@ -76002,7 +76021,7 @@
iteration 93: trace = 5.548117725324989 (3.6948e-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: 0.26975131034851074
+.elapsed time for k point: 1.379645586013794
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0>
Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0>
@@ -76014,11 +76033,11 @@
Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383%
Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081%
Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186%
-total elapsed time for run: 3.5602636337280273
+total elapsed time for run: 18.62740135192871
done
-/tmp/meepFBAM2J/test_run_te-0: 3.56s
+/tmp/meepYM7cP9/test_run_te-0: 18.63s
-/tmp/meepFBAM2J/test_run_te_no_geometry-0
+/tmp/meepYM7cP9/test_run_te_no_geometry-0
========================
Initializing eigensolver data
Computing 8 bands with 1e-07 tolerance
@@ -76059,7 +76078,7 @@
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: 0.0011518001556396484
+elapsed time for initialization: 0.0025014877319335938
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...
@@ -76082,7 +76101,7 @@
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: 0.1434781551361084
+elapsed time for k point: 0.05795407295227051
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
near maximum in trace
@@ -76092,35 +76111,35 @@
iteration 2: trace = 9.880000004055375 (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: 0.11627006530761719
+elapsed time for k point: 0.13264679908752441
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: 0.006063938140869141
+elapsed time for k point: 0.04042673110961914
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: 0.13104677200317383
+elapsed time for k point: 0.03104233741760254
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 1 iterations.
iteration 1: trace = 10.48000000000711 (3.43847e-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: 0.006005048751831055
+elapsed time for k point: 0.037187814712524414
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 1 iterations.
iteration 1: trace = 10.99999999989867 (8.98061e-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: 0.0060122013092041016
+elapsed time for k point: 0.03550529479980469
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
near maximum in trace
@@ -76130,7 +76149,7 @@
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: 0.009534120559692383
+elapsed time for k point: 0.053284645080566406
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
near maximum in trace
@@ -76140,7 +76159,7 @@
iteration 2: trace = 10.72763986668089 (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: 0.00953817367553711
+elapsed time for k point: 0.5334832668304443
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -76161,21 +76180,21 @@
iteration 8: trace = 10.72000017693059 (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: 0.030397653579711914
+elapsed time for k point: 0.39955568313598633
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: 0.005991935729980469
+elapsed time for k point: 0.05608868598937988
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: 0.005997180938720703
+elapsed time for k point: 0.05600595474243164
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
near maximum in trace
@@ -76337,35 +76356,35 @@
iteration 77: trace = 10.96000007994671 (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: 0.41958022117614746
+elapsed time for k point: 2.0380706787109375
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: 0.0060117244720458984
+elapsed time for k point: 0.044234275817871094
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 1 iterations.
iteration 1: trace = 9.84000000175697 (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: 0.005996227264404297
+elapsed time for k point: 0.0573420524597168
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 1 iterations.
iteration 1: trace = 9.760000000165839 (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: 0.0060198307037353516
+elapsed time for k point: 0.05309486389160156
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 1 iterations.
iteration 1: trace = 10.00000000001522 (1.76504e-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: 0.0047147274017333984
+.elapsed time for k point: 0.03611302375793457
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: 0.5000000000350688 at Vector3<0.5, 0.0, 0.0> to 1.000000000046465 at Vector3<0.0, 0.0, 0.0>
Band 3 range: 0.7071067811884203 at Vector3<0.5, 0.5, 0.0> to 1.1180339887555266 at Vector3<0.5, 0.0, 0.0>
@@ -76374,11 +76393,11 @@
Band 6 range: 1.118033988768711 at Vector3<0.5, 0.0, 0.0> to 1.581138830085846 at Vector3<0.5, 0.5, 0.0>
Band 7 range: 1.2806248475164044 at Vector3<0.2, 0.0, 0.0> to 1.5811388300892408 at Vector3<0.5, 0.5, 0.0>
Band 8 range: 1.4142135623752834 at Vector3<0.0, 0.0, 0.0> to 1.8027756376524438 at Vector3<0.5, 0.0, 0.0>
-total elapsed time for run: 0.9145171642303467
+total elapsed time for run: 3.6759824752807617
done
-/tmp/meepFBAM2J/test_run_te_no_geometry-0: 0.92s
+/tmp/meepYM7cP9/test_run_te_no_geometry-0: 3.68s
-/tmp/meepFBAM2J/test_run_te_with_mu_material-0
+/tmp/meepYM7cP9/test_run_te_with_mu_material-0
========================
Initializing eigensolver data
Computing 8 bands with 1e-12 tolerance
@@ -76422,7 +76441,7 @@
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: 0.0024056434631347656
+elapsed time for initialization: 0.013953924179077148
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...
@@ -76840,7 +76859,7 @@
iteration 204: trace = 6.854300770958496 (9.20275e-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: 1.8770885467529297
+elapsed time for k point: 5.323273420333862
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -77209,7 +77228,7 @@
iteration 153: trace = 6.791967496517151 (9.80113e-11% change)
Finished solving for bands 1 to 8 after 153 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: 1.8223519325256348
+elapsed time for k point: 6.958764553070068
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -77455,7 +77474,7 @@
iteration 106: trace = 6.760812143881644 (7.76406e-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: 1.3390302658081055
+elapsed time for k point: 3.893739938735962
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 3 iterations.
@@ -77682,7 +77701,7 @@
iteration 101: trace = 6.801884535649956 (3.96305e-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: 0.6153922080993652
+elapsed time for k point: 8.923452377319336
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 3 iterations.
@@ -78004,3237 +78023,3224 @@
linmin: converged after 4 iterations.
iteration 152: trace = 6.776389595229094 (0.146229% change)
linmin: converged after 4 iterations.
- iteration 153: trace = 6.762501080820078 (0.205165% change)
+ iteration 153: trace = 6.762501080820075 (0.205165% change)
linmin: converged after 4 iterations.
iteration 154: trace = 6.753170385803704 (0.138072% change)
linmin: converged after 4 iterations.
- iteration 155: trace = 6.743925282478449 (0.136994% change)
+ iteration 155: trace = 6.743925282478452 (0.136994% change)
linmin: converged after 4 iterations.
- iteration 156: trace = 6.736994478099859 (0.102824% change)
+ iteration 156: trace = 6.736994478099864 (0.102824% change)
linmin: converged after 4 iterations.
- iteration 157: trace = 6.732878238745256 (0.0611177% change)
+ iteration 157: trace = 6.732878238745272 (0.0611177% change)
linmin: converged after 4 iterations.
- iteration 158: trace = 6.726657933453789 (0.0924297% change)
+ iteration 158: trace = 6.726657933453791 (0.0924297% change)
linmin: converged after 4 iterations.
- iteration 159: trace = 6.721195120311204 (0.0812444% change)
- linmin: converged after 3 iterations.
- iteration 160: trace = 6.717648620160629 (0.0527798% change)
- linmin: converged after 9 iterations.
- iteration 161: trace = 6.713194200918354 (0.0663312% change)
+ iteration 159: trace = 6.721195120311202 (0.0812444% change)
+ linmin: converged after 4 iterations.
+ iteration 160: trace = 6.717648620160626 (0.0527798% change)
+ linmin: converged after 4 iterations.
+ iteration 161: trace = 6.713194200918324 (0.0663312% change)
linmin: converged after 4 iterations.
- iteration 162: trace = 6.710505504937696 (0.0400589% change)
+ iteration 162: trace = 6.710505505507571 (0.0400589% change)
linmin: converged after 3 iterations.
- iteration 163: trace = 6.706901369151968 (0.0537233% change)
+ iteration 163: trace = 6.706901370255015 (0.0537233% change)
linmin: converged after 4 iterations.
- iteration 164: trace = 6.705010608085182 (0.0281953% change)
+ iteration 164: trace = 6.705010608124311 (0.0281953% change)
linmin: converged after 3 iterations.
- iteration 165: trace = 6.70188765506045 (0.0465873% change)
+ iteration 165: trace = 6.701887653654738 (0.0465873% change)
linmin: converged after 3 iterations.
- iteration 166: trace = 6.700031905898658 (0.0276938% change)
+ iteration 166: trace = 6.700031905240058 (0.0276938% change)
linmin: converged after 3 iterations.
- iteration 167: trace = 6.697510888054483 (0.037634% change)
- linmin: converged after 4 iterations.
- iteration 168: trace = 6.695584232456802 (0.0287709% change)
+ iteration 167: trace = 6.697510883943405 (0.0376341% change)
linmin: converged after 3 iterations.
- iteration 169: trace = 6.693804055526829 (0.0265909% change)
+ iteration 168: trace = 6.695584231985491 (0.0287708% change)
linmin: converged after 3 iterations.
- iteration 170: trace = 6.692039962871821 (0.0263576% change)
- linmin: converged after 4 iterations.
- iteration 171: trace = 6.690949988840293 (0.0162889% change)
+ iteration 169: trace = 6.693804050386154 (0.0265909% change)
linmin: converged after 3 iterations.
- iteration 172: trace = 6.689021225820898 (0.0288306% change)
+ iteration 170: trace = 6.692039961790896 (0.0263575% change)
linmin: converged after 4 iterations.
- iteration 173: trace = 6.688226203752949 (0.0118862% change)
+ iteration 171: trace = 6.690949984623433 (0.016289% change)
linmin: converged after 3 iterations.
- iteration 174: trace = 6.687474380827883 (0.0112416% change)
+ iteration 172: trace = 6.68902122164707 (0.0288306% change)
+ linmin: converged after 5 iterations.
+ iteration 173: trace = 6.688226203086087 (0.0118861% change)
+ linmin: converged after 3 iterations.
+ iteration 174: trace = 6.687474377184295 (0.0112417% change)
linmin: converged after 3 iterations.
- iteration 175: trace = 6.686715447178671 (0.0113492% change)
+ iteration 175: trace = 6.686715446510494 (0.0113492% change)
linmin: converged after 3 iterations.
- iteration 176: trace = 6.68595816141414 (0.0113259% change)
+ iteration 176: trace = 6.68595815685937 (0.0113259% change)
linmin: converged after 3 iterations.
- iteration 177: trace = 6.68527986567914 (0.0101456% change)
+ iteration 177: trace = 6.685279864678321 (0.0101455% change)
linmin: converged after 3 iterations.
- iteration 178: trace = 6.684926169510021 (0.00529081% change)
+ iteration 178: trace = 6.68492616710768 (0.00529083% change)
large trace change predicted (0.0113286%)
linmin: converged after 3 iterations.
- iteration 179: trace = 6.684160014452743 (0.0114616% change)
+ iteration 179: trace = 6.684160010954856 (0.0114616% change)
linmin: converged after 3 iterations.
- iteration 180: trace = 6.68379530234466 (0.00545651% change)
+ iteration 180: trace = 6.683795301710827 (0.00545647% change)
linmin: converged after 3 iterations.
- iteration 181: trace = 6.683426312215122 (0.00552082% change)
+ iteration 181: trace = 6.683426309249661 (0.00552085% change)
linmin: converged after 3 iterations.
- iteration 182: trace = 6.683087980566226 (0.00506238% change)
+ iteration 182: trace = 6.683087980183506 (0.00506234% change)
linmin: converged after 3 iterations.
- iteration 183: trace = 6.68276361175373 (0.00485369% change)
+ iteration 183: trace = 6.682763608494613 (0.00485374% change)
linmin: converged after 3 iterations.
- iteration 184: trace = 6.682414515266442 (0.00522397% change)
+ iteration 184: trace = 6.68241451451494 (0.00522393% change)
linmin: converged after 3 iterations.
- iteration 185: trace = 6.682218187694787 (0.00293802% change)
+ iteration 185: trace = 6.682218185893361 (0.00293803% change)
linmin: converged after 3 iterations.
- iteration 186: trace = 6.681916581224351 (0.00451367% change)
+ iteration 186: trace = 6.681916579890395 (0.00451366% change)
linmin: converged after 3 iterations.
- iteration 187: trace = 6.681779641167005 (0.00204943% change)
+ iteration 187: trace = 6.681779640604578 (0.00204942% change)
linmin: converged after 5 iterations.
- iteration 188: trace = 6.681606953872663 (0.00258448% change)
- linmin: converged after 4 iterations.
- iteration 189: trace = 6.681488504563664 (0.00177278% change)
+ iteration 188: trace = 6.681606952405319 (0.0025845% change)
linmin: converged after 3 iterations.
- iteration 190: trace = 6.681358272366602 (0.00194917% change)
- linmin: converged after 10 iterations.
- iteration 191: trace = 6.681230235500497 (0.00191635% change)
+ iteration 189: trace = 6.681488504299757 (0.00177276% change)
+ linmin: converged after 3 iterations.
+ iteration 190: trace = 6.681358270711396 (0.00194919% change)
+ linmin: converged after 19 iterations.
+ iteration 191: trace = 6.681230235127352 (0.00191633% change)
linmin: converged after 5 iterations.
- iteration 192: trace = 6.6811288270835 (0.00151782% change)
+ iteration 192: trace = 6.681128825531117 (0.00151784% change)
linmin: converged after 4 iterations.
- iteration 193: trace = 6.680953874347516 (0.00261864% change)
+ iteration 193: trace = 6.680953873403051 (0.00261864% change)
linmin: converged after 3 iterations.
- iteration 194: trace = 6.680873367074792 (0.00120503% change)
+ iteration 194: trace = 6.680873366488424 (0.00120503% change)
+ linmin: converged after 8 iterations.
+ iteration 195: trace = 6.680765389287529 (0.00161623% change)
linmin: converged after 5 iterations.
- iteration 195: trace = 6.680765390544085 (0.00161622% change)
- linmin: converged after 9 iterations.
- iteration 196: trace = 6.680693385129812 (0.00107781% change)
- linmin: converged after 6 iterations.
- iteration 197: trace = 6.68062105366074 (0.0010827% change)
- linmin: converged after 3 iterations.
- iteration 198: trace = 6.680572671849443 (0.000724214% change)
- linmin: converged after 3 iterations.
- iteration 199: trace = 6.680536490133266 (0.000541597% change)
+ iteration 196: trace = 6.680693384687361 (0.0010778% change)
+ linmin: converged after 8 iterations.
+ iteration 197: trace = 6.680621052228344 (0.00108271% change)
+ linmin: converged after 4 iterations.
+ iteration 198: trace = 6.680572671609273 (0.000724196% change)
+ linmin: converged after 5 iterations.
+ iteration 199: trace = 6.680536488810626 (0.000541614% change)
linmin: converged after 3 iterations.
- iteration 200: trace = 6.680481376728336 (0.000824988% change)
+ iteration 200: trace = 6.680481376118935 (0.000824977% change)
linmin: converged after 5 iterations.
- iteration 201: trace = 6.680455500315117 (0.000387344% change)
+ iteration 201: trace = 6.680455499665584 (0.000387345% change)
linmin: converged after 3 iterations.
- iteration 202: trace = 6.680415642440067 (0.000596636% change)
+ iteration 202: trace = 6.68041564127453 (0.000596644% change)
linmin: converged after 3 iterations.
- iteration 203: trace = 6.680384072694054 (0.000472573% change)
+ iteration 203: trace = 6.680384072110439 (0.000472564% change)
linmin: converged after 3 iterations.
- iteration 204: trace = 6.680340624959269 (0.00065038% change)
+ iteration 204: trace = 6.680340622965251 (0.000650401% change)
linmin: converged after 3 iterations.
- iteration 205: trace = 6.680309707236553 (0.000462818% change)
- linmin: converged after 4 iterations.
- iteration 206: trace = 6.680284460794091 (0.000377924% change)
+ iteration 205: trace = 6.680309706798488 (0.000462794% change)
linmin: converged after 3 iterations.
- iteration 207: trace = 6.680246429982121 (0.000569301% change)
+ iteration 206: trace = 6.680284458954871 (0.000377945% change)
linmin: converged after 3 iterations.
- iteration 208: trace = 6.680230558103617 (0.000237594% change)
+ iteration 207: trace = 6.680246429181477 (0.000569285% change)
+ linmin: converged after 5 iterations.
+ iteration 208: trace = 6.680230557518507 (0.000237591% change)
linmin: converged after 3 iterations.
- iteration 209: trace = 6.680212665706824 (0.000267841% change)
+ iteration 209: trace = 6.680212664956146 (0.000267844% change)
resetting CG direction...
linmin: converged after 3 iterations.
- iteration 210: trace = 6.680199266929479 (0.000200574% change)
+ iteration 210: trace = 6.680199266028111 (0.000200577% change)
+ linmin: converged after 4 iterations.
+ iteration 211: trace = 6.680176330009624 (0.000343344% change)
linmin: converged after 3 iterations.
- iteration 211: trace = 6.680176329495439 (0.000343365% change)
+ iteration 212: trace = 6.680157131936122 (0.000287389% change)
+ linmin: converged after 4 iterations.
+ iteration 213: trace = 6.680148385961573 (0.000130925% change)
+ large trace change predicted (0.0002685%)
linmin: converged after 3 iterations.
- iteration 212: trace = 6.680157132337356 (0.000287375% change)
- linmin: converged after 6 iterations.
- iteration 213: trace = 6.680148386202022 (0.000130927% change)
- large trace change predicted (0.000268503%)
+ iteration 214: trace = 6.680130453617168 (0.000268443% change)
+ linmin: converged after 5 iterations.
+ iteration 215: trace = 6.680117119527826 (0.000199608% change)
+ linmin: converged after 4 iterations.
+ iteration 216: trace = 6.68011165523421 (8.17994e-05% change)
linmin: converged after 3 iterations.
- iteration 214: trace = 6.680130453713534 (0.000268445% change)
+ iteration 217: trace = 6.680105070060253 (9.85788e-05% change)
linmin: converged after 3 iterations.
- iteration 215: trace = 6.680117119837281 (0.000199605% change)
+ iteration 218: trace = 6.680099229064786 (8.74387e-05% change)
+ linmin: converged after 9 iterations.
+ iteration 219: trace = 6.680096911225478 (3.46977e-05% change)
linmin: converged after 4 iterations.
- iteration 216: trace = 6.680111655384402 (8.18018e-05% change)
+ iteration 220: trace = 6.680092842385695 (6.09099e-05% change)
+ linmin: converged after 3 iterations.
+ iteration 221: trace = 6.680089179732932 (5.48294e-05% change)
linmin: converged after 4 iterations.
- iteration 217: trace = 6.68010507011362 (9.85803e-05% change)
+ iteration 222: trace = 6.680087434299887 (2.61289e-05% change)
+ large trace change predicted (5.58737e-05%)
linmin: converged after 3 iterations.
- iteration 218: trace = 6.680099229256731 (8.74366e-05% change)
+ iteration 223: trace = 6.680083701498131 (5.58796e-05% change)
linmin: converged after 3 iterations.
- iteration 219: trace = 6.680096911351662 (3.46987e-05% change)
- linmin: converged after 5 iterations.
- iteration 220: trace = 6.680092842384724 (6.09118e-05% change)
+ iteration 224: trace = 6.680080072951409 (5.43189e-05% change)
+ linmin: converged after 4 iterations.
+ iteration 225: trace = 6.680078801599461 (1.9032e-05% change)
linmin: converged after 3 iterations.
- iteration 221: trace = 6.680089179833528 (5.48279e-05% change)
+ iteration 226: trace = 6.680076350868536 (3.66872e-05% change)
linmin: converged after 4 iterations.
- iteration 222: trace = 6.680087434377293 (2.61292e-05% change)
- large trace change predicted (5.58738e-05%)
+ iteration 227: trace = 6.680074690080565 (2.48618e-05% change)
+ linmin: converged after 9 iterations.
+ iteration 228: trace = 6.680073351032185 (2.00454e-05% change)
linmin: converged after 3 iterations.
- iteration 223: trace = 6.680083701568315 (5.58797e-05% change)
+ iteration 229: trace = 6.680072854503119 (7.43299e-06% change)
linmin: converged after 3 iterations.
- iteration 224: trace = 6.680080072969977 (5.43197e-05% change)
- linmin: converged after 4 iterations.
- iteration 225: trace = 6.680078801637671 (1.90317e-05% change)
- linmin: converged after 7 iterations.
- iteration 226: trace = 6.680076350837193 (3.66882e-05% change)
+ iteration 230: trace = 6.68007209099912 (1.14296e-05% change)
linmin: converged after 3 iterations.
- iteration 227: trace = 6.680074690109035 (2.48609e-05% change)
- linmin: converged after 8 iterations.
- iteration 228: trace = 6.680073351070969 (2.00453e-05% change)
+ iteration 231: trace = 6.680071248553808 (1.26113e-05% change)
+ linmin: converged after 5 iterations.
+ iteration 232: trace = 6.68007096020888 (4.31649e-06% change)
+ large trace change predicted (1.18528e-05%)
linmin: converged after 3 iterations.
- iteration 229: trace = 6.68007285452746 (7.4332e-06% change)
+ iteration 233: trace = 6.680070168333757 (1.18543e-05% change)
linmin: converged after 3 iterations.
- iteration 230: trace = 6.680072090994439 (1.143e-05% change)
- linmin: converged after 4 iterations.
- iteration 231: trace = 6.680071248584382 (1.26108e-05% change)
+ iteration 234: trace = 6.680069654245933 (7.69584e-06% change)
linmin: converged after 3 iterations.
- iteration 232: trace = 6.680070960238667 (4.31651e-06% change)
- large trace change predicted (1.18534e-05%)
- linmin: converged after 5 iterations.
- iteration 233: trace = 6.680070168326894 (1.18548e-05% change)
- linmin: converged after 19 iterations.
- iteration 234: trace = 6.68006965411633 (7.69768e-06% change)
- linmin: converged after 4 iterations.
- iteration 235: trace = 6.680069400433313 (3.79761e-06% change)
+ iteration 235: trace = 6.680069400467938 (3.79903e-06% change)
+ linmin: converged after 3 iterations.
+ iteration 236: trace = 6.680069104628129 (4.42869e-06% change)
+ linmin: converged after 3 iterations.
+ iteration 237: trace = 6.680068901394954 (3.04238e-06% change)
+ linmin: converged after 7 iterations.
+ iteration 238: trace = 6.68006881640772 (1.27225e-06% change)
linmin: converged after 4 iterations.
- iteration 236: trace = 6.680069104629979 (4.42815e-06% change)
+ iteration 239: trace = 6.680068659756556 (2.34505e-06% change)
+ linmin: converged after 11 iterations.
+ iteration 240: trace = 6.680068550664888 (1.63309e-06% change)
linmin: converged after 4 iterations.
- iteration 237: trace = 6.680068901432917 (3.04184e-06% change)
+ iteration 241: trace = 6.680068504921119 (6.8478e-07% change)
linmin: converged after 4 iterations.
- iteration 238: trace = 6.680068816419869 (1.27264e-06% change)
- linmin: converged after 6 iterations.
- iteration 239: trace = 6.680068659755051 (2.34526e-06% change)
+ iteration 242: trace = 6.680068425445534 (1.18974e-06% change)
linmin: converged after 5 iterations.
- iteration 240: trace = 6.680068550683506 (1.63279e-06% change)
- linmin: converged after 14 iterations.
- iteration 241: trace = 6.680068504970169 (6.84324e-07% change)
- linmin: converged after 6 iterations.
- iteration 242: trace = 6.680068425446491 (1.19046e-06% change)
- linmin: converged after 7 iterations.
- iteration 243: trace = 6.680068372313352 (7.95398e-07% change)
+ iteration 243: trace = 6.680068372309567 (7.9544e-07% change)
linmin: converged after 4 iterations.
- iteration 244: trace = 6.680068349511027 (3.41349e-07% change)
+ iteration 244: trace = 6.68006834950997 (3.41308e-07% change)
linmin: converged after 3 iterations.
- iteration 245: trace = 6.680068316252574 (4.97876e-07% change)
- linmin: converged after 7 iterations.
- iteration 246: trace = 6.680068281840759 (5.15142e-07% change)
- linmin: converged after 4 iterations.
- iteration 247: trace = 6.680068263861698 (2.69145e-07% change)
+ iteration 245: trace = 6.680068316253641 (4.97844e-07% change)
+ linmin: converged after 3 iterations.
+ iteration 246: trace = 6.680068281843501 (5.15117e-07% change)
+ linmin: converged after 8 iterations.
+ iteration 247: trace = 6.680068263937255 (2.68055e-07% change)
linmin: converged after 5 iterations.
- iteration 248: trace = 6.680068250316288 (2.02774e-07% change)
- linmin: converged after 7 iterations.
- iteration 249: trace = 6.680068235011274 (2.29115e-07% change)
+ iteration 248: trace = 6.680068250330845 (2.03687e-07% change)
+ linmin: converged after 5 iterations.
+ iteration 249: trace = 6.680068235014073 (2.29291e-07% change)
+ linmin: converged after 5 iterations.
+ iteration 250: trace = 6.680068219577296 (2.31087e-07% change)
linmin: converged after 5 iterations.
- iteration 250: trace = 6.68006821953699 (2.31649e-07% change)
+ iteration 251: trace = 6.680068209701298 (1.47843e-07% change)
linmin: converged after 4 iterations.
- iteration 251: trace = 6.680068209700503 (1.47251e-07% change)
+ iteration 252: trace = 6.680068201057148 (1.29402e-07% change)
linmin: converged after 4 iterations.
- iteration 252: trace = 6.680068201055386 (1.29417e-07% change)
+ iteration 253: trace = 6.680068196844695 (6.306e-08% change)
+ linmin: converged after 6 iterations.
+ iteration 254: trace = 6.680068194298988 (3.8109e-08% change)
+ linmin: converged after 6 iterations.
+ iteration 255: trace = 6.680068189734076 (6.83363e-08% change)
linmin: converged after 4 iterations.
- iteration 253: trace = 6.680068196815148 (6.3476e-08% change)
+ iteration 256: trace = 6.680068185375805 (6.52429e-08% change)
linmin: converged after 4 iterations.
- iteration 254: trace = 6.68006819428233 (3.7916e-08% change)
+ iteration 257: trace = 6.680068184273248 (1.65052e-08% change)
linmin: converged after 4 iterations.
- iteration 255: trace = 6.680068189733394 (6.80972e-08% change)
- linmin: converged after 7 iterations.
- iteration 256: trace = 6.680068185326181 (6.59756e-08% change)
- linmin: converged after 6 iterations.
- iteration 257: trace = 6.680068184115238 (1.81277e-08% change)
+ iteration 258: trace = 6.680068182522309 (2.62114e-08% change)
+ linmin: converged after 15 iterations.
+ iteration 259: trace = 6.68006818105756 (2.19271e-08% change)
linmin: converged after 4 iterations.
- iteration 258: trace = 6.680068182525833 (2.37932e-08% change)
- linmin: converged after 7 iterations.
- iteration 259: trace = 6.680068181099807 (2.13475e-08% change)
+ iteration 260: trace = 6.680068180494168 (8.43394e-09% change)
linmin: converged after 4 iterations.
- iteration 260: trace = 6.680068180538626 (8.40083e-09% change)
+ iteration 261: trace = 6.680068179768361 (1.08653e-08% change)
linmin: converged after 4 iterations.
- iteration 261: trace = 6.680068179768131 (1.15342e-08% change)
+ iteration 262: trace = 6.680068179147947 (9.28753e-09% change)
linmin: converged after 4 iterations.
- iteration 262: trace = 6.680068179150874 (9.24029e-09% change)
+ iteration 263: trace = 6.680068178733466 (6.20475e-09% change)
linmin: converged after 4 iterations.
- iteration 263: trace = 6.68006817875833 (5.87634e-09% change)
+ iteration 264: trace = 6.680068178533025 (3.00058e-09% change)
+ large trace change predicted (6.16407e-09%)
linmin: converged after 4 iterations.
- iteration 264: trace = 6.680068178534971 (3.34367e-09% change)
- linmin: converged after 22 iterations.
- iteration 265: trace = 6.680068178135892 (5.97418e-09% change)
+ iteration 265: trace = 6.680068178121238 (6.16441e-09% change)
linmin: converged after 4 iterations.
- iteration 266: trace = 6.680068178021659 (1.71006e-09% change)
- large trace change predicted (3.85974e-09%)
+ iteration 266: trace = 6.680068177961954 (2.38447e-09% change)
linmin: converged after 4 iterations.
- iteration 267: trace = 6.680068177763815 (3.85991e-09% change)
- linmin: converged after 5 iterations.
- iteration 268: trace = 6.680068177602221 (2.41904e-09% change)
- linmin: converged after 9 iterations.
- iteration 269: trace = 6.680068177493695 (1.62463e-09% change)
- linmin: converged after 7 iterations.
- iteration 270: trace = 6.680068177432303 (9.19029e-10% change)
- linmin: converged after 15 iterations.
- iteration 271: trace = 6.680068177338072 (1.41063e-09% change)
- linmin: converged after 4 iterations.
- iteration 272: trace = 6.680068177272095 (9.87663e-10% change)
+ iteration 267: trace = 6.680068177761544 (3.00012e-09% change)
linmin: converged after 4 iterations.
- iteration 273: trace = 6.680068177245388 (3.99796e-10% change)
- linmin: converged after 15 iterations.
- iteration 274: trace = 6.680068177203003 (6.34509e-10% change)
- linmin: converged after 15 iterations.
- iteration 275: trace = 6.680068177157596 (6.79742e-10% change)
+ iteration 268: trace = 6.680068177602848 (2.37565e-09% change)
+ linmin: converged after 13 iterations.
+ iteration 269: trace = 6.680068177506453 (1.44302e-09% change)
+ linmin: converged after 3 iterations.
+ iteration 270: trace = 6.680068177433323 (1.09476e-09% change)
linmin: converged after 4 iterations.
- iteration 276: trace = 6.680068177145132 (1.86582e-10% change)
- large trace change predicted (3.75195e-10%)
+ iteration 271: trace = 6.680068177338332 (1.422e-09% change)
+ linmin: converged after 16 iterations.
+ iteration 272: trace = 6.680068177279097 (8.86747e-10% change)
+ linmin: converged after 3 iterations.
+ iteration 273: trace = 6.680068177249511 (4.42888e-10% change)
linmin: converged after 4 iterations.
- iteration 277: trace = 6.680068177120065 (3.75252e-10% change)
+ iteration 274: trace = 6.680068177203202 (6.93251e-10% change)
+ linmin: converged after 15 iterations.
+ iteration 275: trace = 6.680068177160675 (6.36623e-10% change)
+ linmin: converged after 5 iterations.
+ iteration 276: trace = 6.680068177145829 (2.22242e-10% change)
linmin: converged after 6 iterations.
- iteration 278: trace = 6.680068177107303 (1.91036e-10% change)
- linmin: converged after 9 iterations.
- iteration 279: trace = 6.680068177097761 (1.42852e-10% change)
+ iteration 277: trace = 6.680068177120615 (3.77445e-10% change)
+ linmin: converged after 2 iterations.
+ iteration 278: trace = 6.680068177111693 (1.33571e-10% change)
+ linmin: converged after 13 iterations.
+ iteration 279: trace = 6.680068177098545 (1.9682e-10% change)
resetting CG direction...
- linmin: converged after 9 iterations.
- iteration 280: trace = 6.680068177092473 (7.91641e-11% change)
+ linmin: converged after 4 iterations.
+ iteration 280: trace = 6.680068177092141 (9.58638e-11% change)
Finished solving for bands 1 to 8 after 280 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: 2.7406210899353027
+elapsed time for k point: 9.004782915115356
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
- iteration 1: trace = 6.654587455311328 (0.0686633% change)
+ iteration 1: trace = 6.654587473689109 (0.0686629% change)
linmin: converged after 4 iterations.
- iteration 2: trace = 6.650159760210607 (0.0665581% change)
+ iteration 2: trace = 6.650159753500438 (0.0665585% change)
linmin: converged after 4 iterations.
- iteration 3: trace = 6.648179164838401 (0.0297871% change)
+ iteration 3: trace = 6.648179168070059 (0.029787% change)
linmin: converged after 4 iterations.
- iteration 4: trace = 6.64753416259331 (0.00970241% change)
+ iteration 4: trace = 6.647534184460929 (0.00970213% change)
linmin: converged after 3 iterations.
- iteration 5: trace = 6.6469666136075 (0.0085381% change)
+ iteration 5: trace = 6.646966615404791 (0.0085384% change)
linmin: converged after 4 iterations.
- iteration 6: trace = 6.645994018177636 (0.0146332% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 6.64530472666308 (0.0103721% change)
+ iteration 6: trace = 6.645994017622721 (0.0146333% change)
+ linmin: converged after 5 iterations.
+ iteration 7: trace = 6.645304729701829 (0.010372% change)
linmin: converged after 3 iterations.
- iteration 8: trace = 6.644933052356651 (0.00559319% change)
+ iteration 8: trace = 6.644933056210284 (0.00559318% change)
linmin: converged after 3 iterations.
- iteration 9: trace = 6.644423335856935 (0.00767105% change)
+ iteration 9: trace = 6.644423335852698 (0.00767111% change)
linmin: converged after 3 iterations.
- iteration 10: trace = 6.64420115647265 (0.0033439% change)
+ iteration 10: trace = 6.644201156406162 (0.0033439% change)
linmin: converged after 3 iterations.
- iteration 11: trace = 6.643990275840968 (0.00317396% change)
+ iteration 11: trace = 6.643990279910868 (0.00317389% change)
linmin: converged after 4 iterations.
- iteration 12: trace = 6.643843510252407 (0.00220902% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 6.643564751930795 (0.00419583% change)
+ iteration 12: trace = 6.643843516962854 (0.00220898% change)
+ linmin: converged after 5 iterations.
+ iteration 13: trace = 6.64356475664805 (0.00419586% change)
linmin: converged after 4 iterations.
- iteration 14: trace = 6.64327911203505 (0.00429959% change)
+ iteration 14: trace = 6.643279223213847 (0.00429799% change)
linmin: converged after 3 iterations.
- iteration 15: trace = 6.64307162272011 (0.00312335% change)
+ iteration 15: trace = 6.64307162450148 (0.00312499% change)
linmin: converged after 4 iterations.
- iteration 16: trace = 6.642974799946697 (0.00145751% change)
+ iteration 16: trace = 6.64297479951876 (0.00145754% change)
linmin: converged after 4 iterations.
- iteration 17: trace = 6.642909147828732 (0.000988299% change)
+ iteration 17: trace = 6.642909148385201 (0.000988284% change)
linmin: converged after 3 iterations.
- iteration 18: trace = 6.642890167027224 (0.000285731% change)
- linmin: converged after 5 iterations.
- iteration 19: trace = 6.642868866277831 (0.000320655% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 6.642841255990717 (0.000415639% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 6.642822870559128 (0.000276771% change)
+ iteration 18: trace = 6.642890172549851 (0.000285656% change)
linmin: converged after 3 iterations.
- iteration 22: trace = 6.642805065880108 (0.000268029% change)
+ iteration 19: trace = 6.642868866693247 (0.000320732% change)
linmin: converged after 3 iterations.
- iteration 23: trace = 6.64279144083442 (0.00020511% change)
+ iteration 20: trace = 6.642841257630105 (0.00041562% change)
+ linmin: converged after 7 iterations.
+ iteration 21: trace = 6.642822878207463 (0.000276681% change)
linmin: converged after 3 iterations.
- iteration 24: trace = 6.642785631391333 (8.74549e-05% change)
+ iteration 22: trace = 6.642805066181122 (0.00026814% change)
linmin: converged after 3 iterations.
- iteration 25: trace = 6.642782971983666 (4.00345e-05% change)
- linmin: converged after 4 iterations.
- iteration 26: trace = 6.642780010618989 (4.45802e-05% change)
+ iteration 23: trace = 6.642791440748623 (0.000205116% change)
linmin: converged after 3 iterations.
- iteration 27: trace = 6.64277821577196 (2.70195e-05% change)
+ iteration 24: trace = 6.642785630165085 (8.74721e-05% change)
linmin: converged after 3 iterations.
- iteration 28: trace = 6.642777033771829 (1.77938e-05% change)
- large trace change predicted (3.72453e-05%)
+ iteration 25: trace = 6.642782971944859 (4.00167e-05% change)
linmin: converged after 4 iterations.
- iteration 29: trace = 6.642774560640914 (3.72304e-05% change)
+ iteration 26: trace = 6.642780010487694 (4.45816e-05% change)
linmin: converged after 3 iterations.
- iteration 30: trace = 6.642773633138377 (1.39626e-05% change)
+ iteration 27: trace = 6.642778215782385 (2.70174e-05% change)
linmin: converged after 3 iterations.
- iteration 31: trace = 6.642772722826313 (1.37038e-05% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 6.642771828262404 (1.34667e-05% change)
- linmin: converged after 4 iterations.
- iteration 33: trace = 6.64277087576031 (1.43389e-05% change)
+ iteration 28: trace = 6.642777033708898 (1.77949e-05% change)
+ large trace change predicted (3.72446e-05%)
linmin: converged after 5 iterations.
- iteration 34: trace = 6.642770553794994 (4.84685e-06% change)
+ iteration 29: trace = 6.642774560627688 (3.72296e-05% change)
linmin: converged after 3 iterations.
- iteration 35: trace = 6.642770128430119 (6.40343e-06% change)
+ iteration 30: trace = 6.642773633112364 (1.39628e-05% change)
linmin: converged after 3 iterations.
- iteration 36: trace = 6.642769885778785 (3.65286e-06% change)
+ iteration 31: trace = 6.642772722801835 (1.37038e-05% change)
linmin: converged after 4 iterations.
- iteration 37: trace = 6.642769776764544 (1.6411e-06% change)
+ iteration 32: trace = 6.642771828223156 (1.34669e-05% change)
linmin: converged after 3 iterations.
- iteration 38: trace = 6.642769636191611 (2.11618e-06% change)
- linmin: converged after 2 iterations.
- iteration 39: trace = 6.642769529879722 (1.60042e-06% change)
- linmin: converged after 7 iterations.
- iteration 40: trace = 6.64276948230084 (7.16251e-07% change)
+ iteration 33: trace = 6.642770875717687 (1.4339e-05% change)
+ linmin: converged after 3 iterations.
+ iteration 34: trace = 6.642770553609214 (4.84901e-06% change)
+ linmin: converged after 5 iterations.
+ iteration 35: trace = 6.642770128424434 (6.40071e-06% change)
+ linmin: converged after 3 iterations.
+ iteration 36: trace = 6.642769885743741 (3.65331e-06% change)
+ linmin: converged after 5 iterations.
+ iteration 37: trace = 6.642769776756667 (1.64069e-06% change)
+ linmin: converged after 3 iterations.
+ iteration 38: trace = 6.642769636192451 (2.11605e-06% change)
linmin: converged after 2 iterations.
- iteration 41: trace = 6.642769417347594 (9.77804e-07% change)
+ iteration 39: trace = 6.64276952985813 (1.60075e-06% change)
linmin: converged after 3 iterations.
- iteration 42: trace = 6.642769380718568 (5.51412e-07% change)
+ iteration 40: trace = 6.64276948221908 (7.17156e-07% change)
linmin: converged after 2 iterations.
- iteration 43: trace = 6.642769352276503 (4.28166e-07% change)
- linmin: converged after 8 iterations.
- iteration 44: trace = 6.642769335009672 (2.59934e-07% change)
+ iteration 41: trace = 6.642769417339405 (9.76696e-07% change)
+ linmin: converged after 3 iterations.
+ iteration 42: trace = 6.6427693807117 (5.51392e-07% change)
+ linmin: converged after 3 iterations.
+ iteration 43: trace = 6.642769352213377 (4.29013e-07% change)
linmin: converged after 4 iterations.
- iteration 45: trace = 6.642769308412368 (4.00395e-07% change)
- linmin: converged after 10 iterations.
- iteration 46: trace = 6.642769295594344 (1.92962e-07% change)
- linmin: converged after 10 iterations.
- iteration 47: trace = 6.642769286031895 (1.43953e-07% change)
+ iteration 44: trace = 6.64276933500741 (2.59018e-07% change)
linmin: converged after 4 iterations.
- iteration 48: trace = 6.642769278113336 (1.19206e-07% change)
+ iteration 45: trace = 6.642769308410065 (4.00395e-07% change)
linmin: converged after 4 iterations.
- iteration 49: trace = 6.642769268636345 (1.42666e-07% change)
- linmin: converged after 6 iterations.
- iteration 50: trace = 6.642769264678964 (5.95743e-08% change)
- linmin: converged after 2 iterations.
- iteration 51: trace = 6.642769258347661 (9.53112e-08% change)
+ iteration 46: trace = 6.64276929558259 (1.93104e-07% change)
+ linmin: converged after 15 iterations.
+ iteration 47: trace = 6.642769286017307 (1.43995e-07% change)
+ linmin: converged after 3 iterations.
+ iteration 48: trace = 6.642769278110246 (1.19033e-07% change)
linmin: converged after 4 iterations.
- iteration 52: trace = 6.642769254860999 (5.24881e-08% change)
+ iteration 49: trace = 6.642769268633557 (1.42662e-07% change)
linmin: converged after 4 iterations.
- iteration 53: trace = 6.642769253450789 (2.12293e-08% change)
- linmin: converged after 6 iterations.
- iteration 54: trace = 6.642769251332606 (3.1887e-08% change)
- linmin: converged after 8 iterations.
- iteration 55: trace = 6.642769250050419 (1.9302e-08% change)
- linmin: converged after 7 iterations.
- iteration 56: trace = 6.6427692492726 (1.17093e-08% change)
+ iteration 50: trace = 6.642769264678993 (5.95319e-08% change)
linmin: converged after 4 iterations.
- iteration 57: trace = 6.642769248105801 (1.7565e-08% change)
- linmin: converged after 32 iterations.
- iteration 58: trace = 6.642769246923345 (1.78006e-08% change)
- linmin: converged after 2 iterations.
- iteration 59: trace = 6.642769246437547 (7.31319e-09% change)
+ iteration 51: trace = 6.642769258340143 (9.54248e-08% change)
linmin: converged after 4 iterations.
- iteration 60: trace = 6.642769246055699 (5.74833e-09% change)
- linmin: converged after 19 iterations.
- iteration 61: trace = 6.642769245798688 (3.86904e-09% change)
- linmin: converged after 26 iterations.
- iteration 62: trace = 6.642769245596893 (3.03781e-09% change)
+ iteration 52: trace = 6.642769254869387 (5.22486e-08% change)
+ linmin: converged after 3 iterations.
+ iteration 53: trace = 6.642769253457879 (2.12488e-08% change)
linmin: converged after 4 iterations.
- iteration 63: trace = 6.642769245361455 (3.54427e-09% change)
+ iteration 54: trace = 6.642769251332982 (3.19881e-08% change)
linmin: converged after 5 iterations.
- iteration 64: trace = 6.642769245059515 (4.54539e-09% change)
+ iteration 55: trace = 6.642769250070252 (1.90091e-08% change)
+ linmin: converged after 4 iterations.
+ iteration 56: trace = 6.642769249311944 (1.14155e-08% change)
+ linmin: converged after 4 iterations.
+ iteration 57: trace = 6.642769248104532 (1.81763e-08% change)
+ linmin: converged after 4 iterations.
+ iteration 58: trace = 6.642769246932681 (1.7641e-08% change)
linmin: converged after 24 iterations.
- iteration 65: trace = 6.64276924497741 (1.23601e-09% change)
- linmin: converged after 14 iterations.
- iteration 66: trace = 6.642769244866003 (1.67713e-09% change)
- linmin: converged after 5 iterations.
- iteration 67: trace = 6.642769244785121 (1.21759e-09% change)
+ iteration 59: trace = 6.642769246510039 (6.36244e-09% change)
+ linmin: converged after 7 iterations.
+ iteration 60: trace = 6.642769246056337 (6.83e-09% change)
linmin: converged after 8 iterations.
- iteration 68: trace = 6.642769244740458 (6.72354e-10% change)
- linmin: converged after 14 iterations.
- iteration 69: trace = 6.642769244697033 (6.53716e-10% change)
- resetting CG direction...
- linmin: converged after 11 iterations.
- iteration 70: trace = 6.64276924467363 (3.52302e-10% change)
- linmin: converged after 15 iterations.
- iteration 71: trace = 6.642769244658356 (2.29934e-10% change)
+ iteration 61: trace = 6.642769245799185 (3.87116e-09% change)
+ linmin: converged after 5 iterations.
+ iteration 62: trace = 6.642769245599225 (3.01019e-09% change)
linmin: converged after 6 iterations.
- iteration 72: trace = 6.64276924463728 (3.17284e-10% change)
- linmin: converged after 11 iterations.
- iteration 73: trace = 6.642769244619855 (2.62318e-10% change)
+ iteration 63: trace = 6.642769245362293 (3.56677e-09% change)
linmin: converged after 4 iterations.
- iteration 74: trace = 6.64276924460999 (1.48507e-10% change)
+ iteration 64: trace = 6.642769245060769 (4.53912e-09% change)
+ linmin: converged after 4 iterations.
+ iteration 65: trace = 6.64276924497992 (1.2171e-09% change)
+ linmin: converged after 3 iterations.
+ iteration 66: trace = 6.642769244865909 (1.71632e-09% change)
+ linmin: converged after 3 iterations.
+ iteration 67: trace = 6.642769244785438 (1.21142e-09% change)
+ linmin: converged after 2 iterations.
+ iteration 68: trace = 6.642769244741226 (6.65562e-10% change)
+ linmin: converged after 16 iterations.
+ iteration 69: trace = 6.64276924469701 (6.65629e-10% change)
+ resetting CG direction...
+ linmin: converged after 2 iterations.
+ iteration 70: trace = 6.642769244673424 (3.55056e-10% change)
+ linmin: converged after 16 iterations.
+ iteration 71: trace = 6.642769244658249 (2.2845e-10% change)
+ linmin: converged after 6 iterations.
+ iteration 72: trace = 6.642769244637283 (3.15613e-10% change)
linmin: converged after 9 iterations.
- iteration 75: trace = 6.642769244598637 (1.70903e-10% change)
+ iteration 73: trace = 6.642769244619499 (2.6772e-10% change)
linmin: converged after 4 iterations.
- iteration 76: trace = 6.64276924458175 (2.54215e-10% change)
+ iteration 74: trace = 6.642769244609692 (1.47638e-10% change)
+ linmin: converged after 4 iterations.
+ iteration 75: trace = 6.642769244598619 (1.66691e-10% change)
linmin: converged after 3 iterations.
- iteration 77: trace = 6.642769244576464 (7.95685e-11% change)
+ iteration 76: trace = 6.642769244581716 (2.54456e-10% change)
+ linmin: converged after 17 iterations.
+ iteration 77: trace = 6.642769244576439 (7.94481e-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: 0.5663411617279053
+elapsed time for k point: 3.8357510566711426
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
- iteration 1: trace = 6.687429231511185 (0.117813% change)
+ iteration 1: trace = 6.687429231640419 (0.117813% change)
linmin: converged after 3 iterations.
- iteration 2: trace = 6.682646875626627 (0.0715382% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 6.679627759254707 (0.0451887% change)
+ iteration 2: trace = 6.682646867031265 (0.0715383% change)
linmin: converged after 4 iterations.
- iteration 4: trace = 6.674424623045876 (0.077926% change)
+ iteration 3: trace = 6.679627759806239 (0.0451885% change)
+ linmin: converged after 5 iterations.
+ iteration 4: trace = 6.674424626067543 (0.0779259% change)
linmin: converged after 4 iterations.
- iteration 5: trace = 6.670593818216934 (0.0574118% change)
+ iteration 5: trace = 6.670593887939423 (0.0574108% change)
linmin: converged after 3 iterations.
- iteration 6: trace = 6.669532380670411 (0.0159135% change)
+ iteration 6: trace = 6.669532519250804 (0.0159124% change)
linmin: converged after 4 iterations.
- iteration 7: trace = 6.668698883194505 (0.0124979% change)
+ iteration 7: trace = 6.668698910283753 (0.0124995% change)
linmin: converged after 4 iterations.
- iteration 8: trace = 6.667450150690025 (0.018727% change)
+ iteration 8: trace = 6.667450154203845 (0.0187274% change)
linmin: converged after 4 iterations.
- iteration 9: trace = 6.66685421691059 (0.00893836% change)
+ iteration 9: trace = 6.666854298069175 (0.00893719% change)
linmin: converged after 3 iterations.
- iteration 10: trace = 6.666561020957688 (0.00439791% change)
- large trace change predicted (0.0103226%)
- linmin: converged after 4 iterations.
- iteration 11: trace = 6.665873832486198 (0.0103085% change)
+ iteration 10: trace = 6.666561044023348 (0.00439878% change)
+ large trace change predicted (0.0103227%)
linmin: converged after 3 iterations.
- iteration 12: trace = 6.66534367843415 (0.00795357% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 6.664960567151565 (0.00574798% change)
+ iteration 11: trace = 6.665873849220906 (0.0103086% change)
+ linmin: converged after 3 iterations.
+ iteration 12: trace = 6.665343892343184 (0.00795061% change)
linmin: converged after 4 iterations.
- iteration 14: trace = 6.66447182671495 (0.00733325% change)
+ iteration 13: trace = 6.664960722616507 (0.00574885% change)
linmin: converged after 4 iterations.
- iteration 15: trace = 6.66434339982356 (0.00192706% change)
+ iteration 14: trace = 6.664471827485924 (0.00733557% change)
+ linmin: converged after 5 iterations.
+ iteration 15: trace = 6.664343409130835 (0.00192693% change)
linmin: converged after 3 iterations.
- iteration 16: trace = 6.66423537972366 (0.00162088% change)
+ iteration 16: trace = 6.664235402926991 (0.00162067% change)
linmin: converged after 3 iterations.
- iteration 17: trace = 6.664099941917526 (0.00203233% change)
+ iteration 17: trace = 6.664099943254497 (0.00203266% change)
linmin: converged after 3 iterations.
- iteration 18: trace = 6.663928212821615 (0.00257696% change)
+ iteration 18: trace = 6.663928209547941 (0.00257703% change)
linmin: converged after 3 iterations.
- iteration 19: trace = 6.663861709370718 (0.000997967% change)
+ iteration 19: trace = 6.663861687818067 (0.000998241% change)
linmin: converged after 4 iterations.
- iteration 20: trace = 6.663812777113738 (0.000734295% change)
+ iteration 20: trace = 6.663812771949349 (0.00073405% change)
linmin: converged after 3 iterations.
- iteration 21: trace = 6.663735503528859 (0.00115961% change)
+ iteration 21: trace = 6.663735502864748 (0.00115954% change)
+ linmin: converged after 5 iterations.
+ iteration 22: trace = 6.66367466614615 (0.000912956% change)
linmin: converged after 3 iterations.
- iteration 22: trace = 6.663674701397493 (0.000912437% change)
+ iteration 23: trace = 6.663634526974308 (0.00060236% change)
+ linmin: converged after 7 iterations.
+ iteration 24: trace = 6.663593038759096 (0.000622608% change)
linmin: converged after 3 iterations.
- iteration 23: trace = 6.663634535229166 (0.000602765% change)
- linmin: converged after 6 iterations.
- iteration 24: trace = 6.663593038411381 (0.000622737% change)
+ iteration 25: trace = 6.663573597875551 (0.000291748% change)
+ linmin: converged after 5 iterations.
+ iteration 26: trace = 6.663564028497367 (0.000143607% change)
+ linmin: converged after 9 iterations.
+ iteration 27: trace = 6.66354904793401 (0.000224813% change)
linmin: converged after 3 iterations.
- iteration 25: trace = 6.663573597485097 (0.000291749% change)
+ iteration 28: trace = 6.663543235825781 (8.72225e-05% change)
linmin: converged after 3 iterations.
- iteration 26: trace = 6.663564028806269 (0.000143597% change)
+ iteration 29: trace = 6.66353963112206 (5.40959e-05% change)
+ linmin: converged after 5 iterations.
+ iteration 30: trace = 6.663536020928598 (5.41783e-05% change)
+ large trace change predicted (0.000126931%)
linmin: converged after 3 iterations.
- iteration 27: trace = 6.663549047974307 (0.000224817% change)
+ iteration 31: trace = 6.663527560499054 (0.000126966% change)
linmin: converged after 4 iterations.
- iteration 28: trace = 6.663543234598157 (8.72415e-05% change)
+ iteration 32: trace = 6.663522796309925 (7.14965e-05% change)
linmin: converged after 3 iterations.
- iteration 29: trace = 6.663539629620816 (5.41e-05% change)
+ iteration 33: trace = 6.663519837202252 (4.44076e-05% change)
linmin: converged after 3 iterations.
- iteration 30: trace = 6.663536020747423 (5.41585e-05% change)
- large trace change predicted (0.000126928%)
+ iteration 34: trace = 6.663516772772216 (4.59882e-05% change)
linmin: converged after 4 iterations.
- iteration 31: trace = 6.663527560554203 (0.000126963% change)
- linmin: converged after 12 iterations.
- iteration 32: trace = 6.663522796841909 (7.14894e-05% change)
+ iteration 35: trace = 6.663513850280391 (4.38581e-05% change)
linmin: converged after 3 iterations.
- iteration 33: trace = 6.663519837331688 (4.44136e-05% change)
- linmin: converged after 4 iterations.
- iteration 34: trace = 6.663516772751093 (4.59904e-05% change)
- linmin: converged after 17 iterations.
- iteration 35: trace = 6.663513849617122 (4.38677e-05% change)
+ iteration 36: trace = 6.663512817819473 (1.54942e-05% change)
+ large trace change predicted (3.44727e-05%)
+ linmin: converged after 5 iterations.
+ iteration 37: trace = 6.66351052050736 (3.4476e-05% change)
+ linmin: converged after 3 iterations.
+ iteration 38: trace = 6.663509473943975 (1.57059e-05% change)
+ linmin: converged after 2 iterations.
+ iteration 39: trace = 6.663509059441019 (6.22049e-06% change)
+ large trace change predicted (1.53072e-05%)
linmin: converged after 4 iterations.
- iteration 36: trace = 6.663512817242067 (1.5493e-05% change)
- large trace change predicted (3.44646e-05%)
+ iteration 40: trace = 6.663508039374552 (1.53082e-05% change)
linmin: converged after 4 iterations.
- iteration 37: trace = 6.663510520469217 (3.44679e-05% change)
+ iteration 41: trace = 6.663507363208089 (1.01473e-05% change)
linmin: converged after 3 iterations.
- iteration 38: trace = 6.663509473661299 (1.57096e-05% change)
+ iteration 42: trace = 6.663506896333666 (7.00644e-06% change)
linmin: converged after 3 iterations.
- iteration 39: trace = 6.663509059368947 (6.21733e-06% change)
- large trace change predicted (1.53076e-05%)
+ iteration 43: trace = 6.663506558684439 (5.06714e-06% change)
linmin: converged after 3 iterations.
- iteration 40: trace = 6.663508039277591 (1.53086e-05% change)
- linmin: converged after 8 iterations.
- iteration 41: trace = 6.663507363532601 (1.0141e-05% change)
+ iteration 44: trace = 6.663506414193118 (2.1684e-06% change)
linmin: converged after 3 iterations.
- iteration 42: trace = 6.663506896337038 (7.01126e-06% change)
+ iteration 45: trace = 6.663506331223576 (1.24513e-06% change)
linmin: converged after 4 iterations.
- iteration 43: trace = 6.663506558669988 (5.06741e-06% change)
- linmin: converged after 8 iterations.
- iteration 44: trace = 6.663506414338931 (2.16599e-06% change)
- linmin: converged after 10 iterations.
- iteration 45: trace = 6.663506331335545 (1.24564e-06% change)
+ iteration 46: trace = 6.663506214966994 (1.74468e-06% change)
linmin: converged after 3 iterations.
- iteration 46: trace = 6.663506214951667 (1.74659e-06% change)
+ iteration 47: trace = 6.663506039883719 (2.62749e-06% change)
linmin: converged after 3 iterations.
- iteration 47: trace = 6.663506039919197 (2.62673e-06% change)
- linmin: converged after 6 iterations.
- iteration 48: trace = 6.663505983939295 (8.40097e-07% change)
- linmin: converged after 4 iterations.
- iteration 49: trace = 6.663505907522652 (1.14679e-06% change)
+ iteration 48: trace = 6.663505983850816 (8.40892e-07% change)
+ linmin: converged after 3 iterations.
+ iteration 49: trace = 6.663505907541484 (1.14518e-06% change)
linmin: converged after 5 iterations.
- iteration 50: trace = 6.663505851032006 (8.47762e-07% change)
+ iteration 50: trace = 6.663505851042529 (8.47886e-07% change)
+ linmin: converged after 6 iterations.
+ iteration 51: trace = 6.663505805259885 (6.87065e-07% change)
+ linmin: converged after 13 iterations.
+ iteration 52: trace = 6.663505790502363 (2.21468e-07% change)
+ linmin: converged after 25 iterations.
+ iteration 53: trace = 6.663505766535184 (3.59678e-07% change)
linmin: converged after 4 iterations.
- iteration 51: trace = 6.663505805256612 (6.86957e-07% change)
- linmin: converged after 5 iterations.
- iteration 52: trace = 6.663505790501416 (2.21433e-07% change)
+ iteration 54: trace = 6.663505741504925 (3.75632e-07% change)
+ linmin: converged after 22 iterations.
+ iteration 55: trace = 6.663505723706266 (2.67107e-07% change)
linmin: converged after 3 iterations.
- iteration 53: trace = 6.663505766531589 (3.59718e-07% change)
- linmin: converged after 4 iterations.
- iteration 54: trace = 6.663505741478836 (3.7597e-07% change)
+ iteration 56: trace = 6.663505707385099 (2.44934e-07% change)
linmin: converged after 3 iterations.
- iteration 55: trace = 6.663505723652033 (2.67529e-07% change)
- linmin: converged after 7 iterations.
- iteration 56: trace = 6.663505707379739 (2.442e-07% change)
- linmin: converged after 7 iterations.
- iteration 57: trace = 6.663505697265364 (1.51788e-07% change)
- linmin: converged after 10 iterations.
- iteration 58: trace = 6.663505694684291 (3.87345e-08% change)
- linmin: converged after 4 iterations.
- iteration 59: trace = 6.663505691927321 (4.13742e-08% change)
- linmin: converged after 4 iterations.
- iteration 60: trace = 6.663505688934743 (4.491e-08% change)
- linmin: converged after 18 iterations.
- iteration 61: trace = 6.663505686200639 (4.1031e-08% change)
+ iteration 57: trace = 6.663505697273749 (1.51742e-07% change)
linmin: converged after 5 iterations.
- iteration 62: trace = 6.663505684949753 (1.87722e-08% change)
- linmin: converged after 4 iterations.
- iteration 63: trace = 6.663505683327255 (2.4349e-08% change)
+ iteration 58: trace = 6.663505694691338 (3.87545e-08% change)
linmin: converged after 4 iterations.
- iteration 64: trace = 6.663505682009577 (1.97745e-08% change)
+ iteration 59: trace = 6.663505691929068 (4.14537e-08% change)
+ linmin: converged after 7 iterations.
+ iteration 60: trace = 6.663505688934807 (4.49352e-08% change)
linmin: converged after 4 iterations.
- iteration 65: trace = 6.663505681307788 (1.05318e-08% change)
- linmin: converged after 34 iterations.
- iteration 66: trace = 6.663505680001043 (1.96105e-08% change)
+ iteration 61: trace = 6.663505686194938 (4.11175e-08% change)
+ linmin: converged after 3 iterations.
+ iteration 62: trace = 6.663505684948923 (1.86991e-08% change)
linmin: converged after 4 iterations.
- iteration 67: trace = 6.663505679184849 (1.22487e-08% change)
- linmin: converged after 12 iterations.
- iteration 68: trace = 6.663505678748463 (6.5489e-09% change)
+ iteration 63: trace = 6.663505683328056 (2.43245e-08% change)
+ linmin: converged after 13 iterations.
+ iteration 64: trace = 6.663505682008949 (1.9796e-08% change)
+ linmin: converged after 11 iterations.
+ iteration 65: trace = 6.663505681304827 (1.05668e-08% change)
linmin: converged after 6 iterations.
- iteration 69: trace = 6.663505678470028 (4.17851e-09% change)
- resetting CG direction...
+ iteration 66: trace = 6.663505680001291 (1.95623e-08% change)
+ linmin: converged after 4 iterations.
+ iteration 67: trace = 6.663505679184945 (1.2251e-08% change)
+ linmin: converged after 23 iterations.
+ iteration 68: trace = 6.66350567874791 (6.55864e-09% change)
linmin: converged after 7 iterations.
- iteration 70: trace = 6.663505678326044 (2.16079e-09% change)
- linmin: converged after 5 iterations.
- iteration 71: trace = 6.663505678226778 (1.4897e-09% change)
- linmin: converged after 2 iterations.
- iteration 72: trace = 6.663505678093959 (1.99322e-09% change)
+ iteration 69: trace = 6.663505678470032 (4.17015e-09% change)
+ resetting CG direction...
linmin: converged after 2 iterations.
- iteration 73: trace = 6.663505677966054 (1.9195e-09% change)
- linmin: converged after 9 iterations.
- iteration 74: trace = 6.663505677909059 (8.55322e-10% change)
+ iteration 70: trace = 6.663505678326204 (2.15844e-09% change)
linmin: converged after 4 iterations.
- iteration 75: trace = 6.663505677805617 (1.55237e-09% change)
+ iteration 71: trace = 6.663505678226792 (1.49189e-09% change)
+ linmin: converged after 13 iterations.
+ iteration 72: trace = 6.663505678093929 (1.99388e-09% change)
linmin: converged after 5 iterations.
- iteration 76: trace = 6.66350567774159 (9.60861e-10% change)
+ iteration 73: trace = 6.663505677966341 (1.91474e-09% change)
+ linmin: converged after 26 iterations.
+ iteration 74: trace = 6.6635056779092 (8.57521e-10% change)
linmin: converged after 4 iterations.
- iteration 77: trace = 6.663505677713072 (4.27967e-10% change)
- linmin: converged after 15 iterations.
- iteration 78: trace = 6.663505677677868 (5.28308e-10% change)
+ iteration 75: trace = 6.663505677805585 (1.55496e-09% change)
+ linmin: converged after 6 iterations.
+ iteration 76: trace = 6.66350567774166 (9.59328e-10% change)
+ linmin: converged after 11 iterations.
+ iteration 77: trace = 6.663505677713226 (4.26714e-10% change)
+ linmin: converged after 12 iterations.
+ iteration 78: trace = 6.663505677677864 (5.30681e-10% change)
linmin: converged after 3 iterations.
- iteration 79: trace = 6.66350567764272 (5.27482e-10% change)
+ iteration 79: trace = 6.663505677642716 (5.27468e-10% change)
linmin: converged after 3 iterations.
- iteration 80: trace = 6.663505677622083 (3.09699e-10% change)
- linmin: converged after 11 iterations.
- iteration 81: trace = 6.663505677595312 (4.01749e-10% change)
- linmin: converged after 5 iterations.
- iteration 82: trace = 6.663505677568759 (3.98484e-10% change)
+ iteration 80: trace = 6.663505677622147 (3.08686e-10% change)
+ linmin: converged after 8 iterations.
+ iteration 81: trace = 6.66350567759535 (4.02136e-10% change)
linmin: converged after 3 iterations.
- iteration 83: trace = 6.663505677548605 (3.02462e-10% change)
- linmin: converged after 4 iterations.
- iteration 84: trace = 6.663505677537475 (1.67026e-10% change)
- linmin: converged after 9 iterations.
- iteration 85: trace = 6.663505677527899 (1.437e-10% change)
- linmin: converged after 2 iterations.
- iteration 86: trace = 6.663505677520185 (1.15776e-10% change)
+ iteration 82: trace = 6.663505677568827 (3.98044e-10% change)
+ linmin: converged after 18 iterations.
+ iteration 83: trace = 6.663505677549109 (2.95904e-10% change)
linmin: converged after 6 iterations.
- iteration 87: trace = 6.66350567751532 (7.30029e-11% change)
+ iteration 84: trace = 6.663505677537502 (1.74183e-10% change)
+ linmin: converged after 15 iterations.
+ iteration 85: trace = 6.663505677527904 (1.44046e-10% change)
+ linmin: converged after 3 iterations.
+ iteration 86: trace = 6.663505677520201 (1.15602e-10% change)
+ linmin: converged after 3 iterations.
+ iteration 87: trace = 6.663505677515447 (7.13368e-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: 0.8330905437469482
+elapsed time for k point: 6.630832672119141
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
- iteration 1: trace = 6.744447319829122 (0.144043% change)
+ iteration 1: trace = 6.744447307474669 (0.144043% change)
linmin: converged after 4 iterations.
- iteration 2: trace = 6.737973961372528 (0.0960266% change)
+ iteration 2: trace = 6.737973941565899 (0.0960268% change)
linmin: converged after 4 iterations.
- iteration 3: trace = 6.732141747682221 (0.0865949% change)
+ iteration 3: trace = 6.7321417456039 (0.0865946% change)
linmin: converged after 8 iterations.
- iteration 4: trace = 6.724828796500679 (0.108686% change)
+ iteration 4: trace = 6.724828793447526 (0.108686% change)
linmin: converged after 4 iterations.
- iteration 5: trace = 6.721434241355379 (0.0504907% change)
+ iteration 5: trace = 6.721434238463905 (0.0504907% change)
linmin: converged after 4 iterations.
- iteration 6: trace = 6.718962205415226 (0.0367852% change)
+ iteration 6: trace = 6.718962204375529 (0.0367851% change)
linmin: converged after 4 iterations.
- iteration 7: trace = 6.717543134764343 (0.0211226% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 6.716463675707937 (0.0160705% change)
+ iteration 7: trace = 6.71754313371084 (0.0211226% change)
+ linmin: converged after 3 iterations.
+ iteration 8: trace = 6.716463676546428 (0.0160705% change)
linmin: converged after 3 iterations.
- iteration 9: trace = 6.715767540648555 (0.0103651% change)
+ iteration 9: trace = 6.715767540221497 (0.0103652% change)
linmin: converged after 4 iterations.
- iteration 10: trace = 6.714605751548929 (0.0173009% change)
+ iteration 10: trace = 6.714605751396071 (0.0173009% change)
linmin: converged after 4 iterations.
- iteration 11: trace = 6.713521985435469 (0.0161417% change)
+ iteration 11: trace = 6.713521993031621 (0.0161416% change)
linmin: converged after 3 iterations.
- iteration 12: trace = 6.712581835313906 (0.0140048% change)
+ iteration 12: trace = 6.712581835798039 (0.0140049% change)
linmin: converged after 3 iterations.
- iteration 13: trace = 6.71158981476003 (0.0147796% change)
+ iteration 13: trace = 6.711589814736715 (0.0147796% change)
linmin: converged after 3 iterations.
- iteration 14: trace = 6.710907669864163 (0.0101642% change)
+ iteration 14: trace = 6.710907669805348 (0.0101642% change)
linmin: converged after 3 iterations.
- iteration 15: trace = 6.710743952111041 (0.00243961% change)
+ iteration 15: trace = 6.710743952061529 (0.00243961% change)
linmin: converged after 3 iterations.
- iteration 16: trace = 6.710422647231451 (0.00478803% change)
+ iteration 16: trace = 6.710422647110722 (0.00478803% change)
linmin: converged after 3 iterations.
- iteration 17: trace = 6.710149736269088 (0.00406705% change)
+ iteration 17: trace = 6.710149736315026 (0.00406705% change)
linmin: converged after 3 iterations.
- iteration 18: trace = 6.709926499244011 (0.00332691% change)
+ iteration 18: trace = 6.709926499306195 (0.00332691% change)
linmin: converged after 3 iterations.
- iteration 19: trace = 6.709615222871843 (0.00463915% change)
+ iteration 19: trace = 6.70961522287071 (0.00463915% change)
linmin: converged after 3 iterations.
- iteration 20: trace = 6.709383090117643 (0.00345976% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 6.709272387074732 (0.00164999% change)
+ iteration 20: trace = 6.709383090015506 (0.00345976% change)
linmin: converged after 3 iterations.
- iteration 22: trace = 6.709164433556145 (0.00160903% change)
- linmin: converged after 3 iterations.
- iteration 23: trace = 6.709082283752179 (0.00122445% change)
- linmin: converged after 3 iterations.
- iteration 24: trace = 6.709040657449078 (0.000620449% change)
- linmin: converged after 4 iterations.
- iteration 25: trace = 6.709012986499432 (0.000412444% change)
+ iteration 21: trace = 6.709272386637894 (0.00164999% change)
linmin: converged after 4 iterations.
- iteration 26: trace = 6.708973601301382 (0.000587051% change)
+ iteration 22: trace = 6.709164433611233 (0.00160903% change)
linmin: converged after 3 iterations.
- iteration 27: trace = 6.708949150379244 (0.000364452% change)
+ iteration 23: trace = 6.709082283800279 (0.00122445% change)
linmin: converged after 3 iterations.
- iteration 28: trace = 6.708939654510758 (0.00014154% change)
+ iteration 24: trace = 6.709040657597047 (0.000620447% change)
+ linmin: converged after 6 iterations.
+ iteration 25: trace = 6.709012986509509 (0.000412446% change)
+ linmin: converged after 4 iterations.
+ iteration 26: trace = 6.708973601273001 (0.000587051% change)
linmin: converged after 3 iterations.
- iteration 29: trace = 6.708921851624748 (0.000265361% change)
+ iteration 27: trace = 6.708949150197562 (0.000364454% change)
linmin: converged after 3 iterations.
- iteration 30: trace = 6.708911468699708 (0.000154763% change)
- linmin: converged after 5 iterations.
- iteration 31: trace = 6.708903821442493 (0.000113987% change)
- linmin: converged after 5 iterations.
- iteration 32: trace = 6.708893718400836 (0.000150592% change)
+ iteration 28: trace = 6.708939654361957 (0.00014154% change)
linmin: converged after 3 iterations.
- iteration 33: trace = 6.708883944464088 (0.000145686% change)
+ iteration 29: trace = 6.708921851625929 (0.000265359% change)
linmin: converged after 3 iterations.
- iteration 34: trace = 6.708879439481632 (6.71495e-05% change)
+ iteration 30: trace = 6.708911468656734 (0.000154764% change)
+ linmin: converged after 4 iterations.
+ iteration 31: trace = 6.708903821429137 (0.000113986% change)
+ linmin: converged after 4 iterations.
+ iteration 32: trace = 6.708893718396827 (0.000150592% change)
linmin: converged after 3 iterations.
- iteration 35: trace = 6.708871489178604 (0.000118504% change)
+ iteration 33: trace = 6.708883944390179 (0.000145687% change)
linmin: converged after 3 iterations.
- iteration 36: trace = 6.708866031173699 (8.13551e-05% change)
+ iteration 34: trace = 6.708879439394104 (6.71497e-05% change)
+ linmin: converged after 4 iterations.
+ iteration 35: trace = 6.708871489175596 (0.000118503% change)
+ linmin: converged after 5 iterations.
+ iteration 36: trace = 6.708866031173947 (8.1355e-05% change)
linmin: converged after 3 iterations.
- iteration 37: trace = 6.708863196868343 (4.22472e-05% change)
+ iteration 37: trace = 6.708863196863298 (4.22472e-05% change)
+ linmin: converged after 5 iterations.
+ iteration 38: trace = 6.708860828992563 (3.52947e-05% change)
+ linmin: converged after 4 iterations.
+ iteration 39: trace = 6.708858447879621 (3.54921e-05% change)
linmin: converged after 3 iterations.
- iteration 38: trace = 6.708860828992465 (3.52947e-05% change)
+ iteration 40: trace = 6.708856997908971 (2.16128e-05% change)
linmin: converged after 3 iterations.
- iteration 39: trace = 6.708858447883698 (3.5492e-05% change)
+ iteration 41: trace = 6.708854902056788 (3.12401e-05% change)
linmin: converged after 4 iterations.
- iteration 40: trace = 6.708856997940599 (2.16124e-05% change)
+ iteration 42: trace = 6.708852610114659 (3.41629e-05% change)
linmin: converged after 4 iterations.
- iteration 41: trace = 6.708854902056196 (3.12406e-05% change)
- linmin: converged after 3 iterations.
- iteration 42: trace = 6.708852610091869 (3.41633e-05% change)
+ iteration 43: trace = 6.708851929347248 (1.01473e-05% change)
linmin: converged after 3 iterations.
- iteration 43: trace = 6.708851929347837 (1.0147e-05% change)
+ iteration 44: trace = 6.70885123765442 (1.03102e-05% change)
linmin: converged after 3 iterations.
- iteration 44: trace = 6.708851237630113 (1.03105e-05% change)
+ iteration 45: trace = 6.708850275606772 (1.434e-05% change)
linmin: converged after 3 iterations.
- iteration 45: trace = 6.708850275593168 (1.43398e-05% change)
+ iteration 46: trace = 6.708849646092554 (9.38334e-06% change)
linmin: converged after 3 iterations.
- iteration 46: trace = 6.70884964610264 (9.38299e-06% change)
+ iteration 47: trace = 6.708848882344398 (1.13842e-05% change)
+ linmin: converged after 4 iterations.
+ iteration 48: trace = 6.70884831289677 (8.48801e-06% change)
+ linmin: converged after 4 iterations.
+ iteration 49: trace = 6.708847878955357 (6.4682e-06% change)
linmin: converged after 3 iterations.
- iteration 47: trace = 6.708848882323291 (1.13847e-05% change)
+ iteration 50: trace = 6.708847658426974 (3.28713e-06% change)
+ large trace change predicted (7.009e-06%)
linmin: converged after 3 iterations.
- iteration 48: trace = 6.70884831288727 (8.48784e-06% change)
+ iteration 51: trace = 6.708847188186793 (7.00925e-06% change)
+ linmin: converged after 4 iterations.
+ iteration 52: trace = 6.708846832159407 (5.30683e-06% change)
+ linmin: converged after 5 iterations.
+ iteration 53: trace = 6.70884661927558 (3.17318e-06% change)
linmin: converged after 3 iterations.
- iteration 49: trace = 6.708847878958689 (6.468e-06% change)
+ iteration 54: trace = 6.708846387828648 (3.44988e-06% change)
linmin: converged after 3 iterations.
- iteration 50: trace = 6.708847658426824 (3.28718e-06% change)
- large trace change predicted (7.00903e-06%)
+ iteration 55: trace = 6.708846177691116 (3.13225e-06% change)
+ linmin: converged after 2 iterations.
+ iteration 56: trace = 6.708846099872972 (1.15993e-06% change)
linmin: converged after 3 iterations.
- iteration 51: trace = 6.708847188184538 (7.00929e-06% change)
- linmin: converged after 23 iterations.
- iteration 52: trace = 6.708846832162545 (5.30675e-06% change)
+ iteration 57: trace = 6.708845988805979 (1.65553e-06% change)
+ linmin: converged after 18 iterations.
+ iteration 58: trace = 6.708845926158713 (9.33801e-07% change)
+ linmin: converged after 16 iterations.
+ iteration 59: trace = 6.708845871833847 (8.0975e-07% change)
linmin: converged after 3 iterations.
- iteration 53: trace = 6.708846619270131 (3.17331e-06% change)
- linmin: converged after 4 iterations.
- iteration 54: trace = 6.708846387818853 (3.44994e-06% change)
+ iteration 60: trace = 6.708845822810293 (7.3073e-07% change)
linmin: converged after 4 iterations.
- iteration 55: trace = 6.70884617767422 (3.13235e-06% change)
+ iteration 61: trace = 6.708845760354881 (9.30941e-07% change)
linmin: converged after 3 iterations.
- iteration 56: trace = 6.708846099858042 (1.1599e-06% change)
+ iteration 62: trace = 6.70884574299585 (2.58748e-07% change)
+ linmin: converged after 2 iterations.
+ iteration 63: trace = 6.708845724911501 (2.6956e-07% change)
+ linmin: converged after 5 iterations.
+ iteration 64: trace = 6.708845702105487 (3.39939e-07% change)
linmin: converged after 4 iterations.
- iteration 57: trace = 6.708845988806679 (1.6553e-06% change)
- linmin: converged after 3 iterations.
- iteration 58: trace = 6.708845926155432 (9.3386e-07% change)
- linmin: converged after 8 iterations.
- iteration 59: trace = 6.708845871821884 (8.09879e-07% change)
- linmin: converged after 8 iterations.
- iteration 60: trace = 6.708845822810831 (7.30544e-07% change)
+ iteration 65: trace = 6.708845680311983 (3.24847e-07% change)
+ linmin: converged after 12 iterations.
+ iteration 66: trace = 6.708845664242044 (2.39534e-07% change)
+ linmin: converged after 4 iterations.
+ iteration 67: trace = 6.708845650776603 (2.00712e-07% change)
linmin: converged after 3 iterations.
- iteration 61: trace = 6.708845760357077 (9.30917e-07% change)
- linmin: converged after 2 iterations.
- iteration 62: trace = 6.70884574300153 (2.58696e-07% change)
- linmin: converged after 8 iterations.
- iteration 63: trace = 6.708845724909551 (2.69673e-07% change)
+ iteration 68: trace = 6.708845645403581 (8.00886e-08% change)
linmin: converged after 3 iterations.
- iteration 64: trace = 6.708845702105521 (3.3991e-07% change)
- linmin: converged after 2 iterations.
- iteration 65: trace = 6.708845680309581 (3.24884e-07% change)
- linmin: converged after 7 iterations.
- iteration 66: trace = 6.708845664242869 (2.39485e-07% change)
- linmin: converged after 4 iterations.
- iteration 67: trace = 6.708845650776952 (2.00719e-07% change)
- linmin: converged after 8 iterations.
- iteration 68: trace = 6.708845645402574 (8.01088e-08% change)
- linmin: converged after 15 iterations.
- iteration 69: trace = 6.708845642039176 (5.01338e-08% change)
+ iteration 69: trace = 6.708845642039955 (5.01372e-08% change)
resetting CG direction...
linmin: converged after 4 iterations.
- iteration 70: trace = 6.708845640022382 (3.00617e-08% change)
+ iteration 70: trace = 6.708845640022787 (3.00673e-08% change)
+ linmin: converged after 6 iterations.
+ iteration 71: trace = 6.708845637674559 (3.5002e-08% change)
+ linmin: converged after 24 iterations.
+ iteration 72: trace = 6.708845634534506 (4.68047e-08% change)
+ linmin: converged after 13 iterations.
+ iteration 73: trace = 6.708845632985962 (2.30821e-08% change)
+ linmin: converged after 23 iterations.
+ iteration 74: trace = 6.708845630876028 (3.145e-08% change)
+ linmin: converged after 6 iterations.
+ iteration 75: trace = 6.708845629670838 (1.79642e-08% change)
+ linmin: converged after 6 iterations.
+ iteration 76: trace = 6.708845628755188 (1.36484e-08% change)
linmin: converged after 4 iterations.
- iteration 71: trace = 6.708845637673427 (3.50128e-08% change)
- linmin: converged after 15 iterations.
- iteration 72: trace = 6.708845634534958 (4.67811e-08% change)
- linmin: converged after 12 iterations.
- iteration 73: trace = 6.708845632986939 (2.30743e-08% change)
+ iteration 77: trace = 6.708845628229398 (7.83727e-09% change)
+ large trace change predicted (2.4866e-08%)
+ linmin: converged after 2 iterations.
+ iteration 78: trace = 6.708845626561165 (2.48662e-08% change)
linmin: converged after 4 iterations.
- iteration 74: trace = 6.708845630875617 (3.14707e-08% change)
+ iteration 79: trace = 6.708845625403788 (1.72515e-08% change)
linmin: converged after 4 iterations.
- iteration 75: trace = 6.708845629670367 (1.79651e-08% change)
- linmin: converged after 24 iterations.
- iteration 76: trace = 6.70884562875462 (1.36498e-08% change)
- linmin: converged after 3 iterations.
- iteration 77: trace = 6.708845628229008 (7.83462e-09% change)
- large trace change predicted (2.48639e-08%)
- linmin: converged after 25 iterations.
- iteration 78: trace = 6.708845626560922 (2.4864e-08% change)
+ iteration 80: trace = 6.708845624796508 (9.05194e-09% change)
+ linmin: converged after 19 iterations.
+ iteration 81: trace = 6.708845624335558 (6.87079e-09% change)
linmin: converged after 4 iterations.
- iteration 79: trace = 6.70884562540218 (1.72719e-08% change)
- linmin: converged after 28 iterations.
- iteration 80: trace = 6.70884562479466 (9.05551e-09% change)
- linmin: converged after 15 iterations.
- iteration 81: trace = 6.708845624335286 (6.84729e-09% change)
+ iteration 82: trace = 6.708845623794145 (8.07014e-09% change)
linmin: converged after 4 iterations.
- iteration 82: trace = 6.708845623793696 (8.07277e-09% change)
+ iteration 83: trace = 6.708845623392814 (5.98211e-09% change)
linmin: converged after 21 iterations.
- iteration 83: trace = 6.708845623387073 (6.061e-09% change)
+ iteration 84: trace = 6.708845623153993 (3.5598e-09% change)
+ linmin: converged after 6 iterations.
+ iteration 85: trace = 6.708845622824449 (4.91207e-09% change)
linmin: converged after 4 iterations.
- iteration 84: trace = 6.708845623152627 (3.49458e-09% change)
- linmin: converged after 7 iterations.
- iteration 85: trace = 6.708845622824246 (4.89474e-09% change)
+ iteration 86: trace = 6.708845622522188 (4.50541e-09% change)
+ linmin: converged after 18 iterations.
+ iteration 87: trace = 6.708845622387536 (2.00707e-09% change)
+ linmin: converged after 6 iterations.
+ iteration 88: trace = 6.708845622195887 (2.85667e-09% change)
+ linmin: converged after 18 iterations.
+ iteration 89: trace = 6.70884562208388 (1.66955e-09% change)
+ linmin: converged after 5 iterations.
+ iteration 90: trace = 6.708845622027289 (8.43531e-10% change)
+ linmin: converged after 19 iterations.
+ iteration 91: trace = 6.708845621977007 (7.49481e-10% change)
linmin: converged after 4 iterations.
- iteration 86: trace = 6.708845622519809 (4.53784e-09% change)
- linmin: converged after 10 iterations.
- iteration 87: trace = 6.708845622381896 (2.0557e-09% change)
- linmin: converged after 3 iterations.
- iteration 88: trace = 6.708845622195793 (2.77399e-09% change)
+ iteration 92: trace = 6.708845621907859 (1.0307e-09% change)
+ linmin: converged after 2 iterations.
+ iteration 93: trace = 6.708845621870026 (5.63925e-10% change)
linmin: converged after 4 iterations.
- iteration 89: trace = 6.708845622083587 (1.6725e-09% change)
- linmin: converged after 5 iterations.
- iteration 90: trace = 6.708845622026749 (8.47224e-10% change)
- linmin: converged after 16 iterations.
- iteration 91: trace = 6.708845621976815 (7.44292e-10% change)
- linmin: converged after 24 iterations.
- iteration 92: trace = 6.708845621907823 (1.02837e-09% change)
+ iteration 94: trace = 6.708845621841363 (4.27246e-10% change)
+ linmin: converged after 13 iterations.
+ iteration 95: trace = 6.708845621811631 (4.43173e-10% change)
linmin: converged after 4 iterations.
- iteration 93: trace = 6.708845621869335 (5.73695e-10% change)
+ iteration 96: trace = 6.708845621769525 (6.27617e-10% change)
+ linmin: converged after 4 iterations.
+ iteration 97: trace = 6.708845621746176 (3.48025e-10% change)
linmin: converged after 3 iterations.
- iteration 94: trace = 6.708845621841251 (4.18615e-10% change)
+ iteration 98: trace = 6.708845621736186 (1.48911e-10% change)
linmin: converged after 13 iterations.
- iteration 95: trace = 6.708845621811554 (4.42656e-10% change)
- linmin: converged after 10 iterations.
- iteration 96: trace = 6.70884562176952 (6.26545e-10% change)
- linmin: converged after 7 iterations.
- iteration 97: trace = 6.708845621746257 (3.4674e-10% change)
+ iteration 99: trace = 6.708845621726324 (1.47005e-10% change)
linmin: converged after 6 iterations.
- iteration 98: trace = 6.708845621736258 (1.49044e-10% change)
- linmin: converged after 5 iterations.
- iteration 99: trace = 6.70884562172633 (1.47985e-10% change)
- linmin: converged after 2 iterations.
- iteration 100: trace = 6.708845621714904 (1.70319e-10% change)
+ iteration 100: trace = 6.70884562171491 (1.70133e-10% change)
linmin: converged after 4 iterations.
- iteration 101: trace = 6.708845621705082 (1.46396e-10% change)
+ iteration 101: trace = 6.708845621705029 (1.47283e-10% change)
linmin: converged after 3 iterations.
- iteration 102: trace = 6.708845621699862 (7.78183e-11% change)
+ iteration 102: trace = 6.708845621699838 (7.73682e-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: 1.2387242317199707
+elapsed time for k point: 2.542381763458252
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
- iteration 1: trace = 6.789698633809191 (0.215819% change)
+ iteration 1: trace = 6.789698640861451 (0.215819% change)
linmin: converged after 4 iterations.
- iteration 2: trace = 6.777922874907878 (0.173586% change)
+ iteration 2: trace = 6.777922877737041 (0.173586% change)
linmin: converged after 4 iterations.
- iteration 3: trace = 6.769206258588999 (0.128686% change)
+ iteration 3: trace = 6.769206258646129 (0.128686% change)
linmin: converged after 4 iterations.
- iteration 4: trace = 6.763253549953755 (0.0879767% change)
+ iteration 4: trace = 6.763253551367551 (0.0879767% change)
linmin: converged after 4 iterations.
- iteration 5: trace = 6.760899925054087 (0.0348062% change)
+ iteration 5: trace = 6.760899926657764 (0.0348062% change)
linmin: converged after 4 iterations.
- iteration 6: trace = 6.758681354754137 (0.0328201% change)
+ iteration 6: trace = 6.75868135455443 (0.0328201% change)
linmin: converged after 3 iterations.
- iteration 7: trace = 6.757086651621764 (0.0235977% change)
+ iteration 7: trace = 6.757086651767944 (0.0235977% change)
linmin: converged after 4 iterations.
- iteration 8: trace = 6.755832192148723 (0.0185668% change)
+ iteration 8: trace = 6.755832192494575 (0.0185668% change)
linmin: converged after 3 iterations.
- iteration 9: trace = 6.754118495779664 (0.0253694% change)
+ iteration 9: trace = 6.754118495440428 (0.0253694% change)
linmin: converged after 4 iterations.
- iteration 10: trace = 6.751749081335605 (0.0350872% change)
+ iteration 10: trace = 6.751749081141424 (0.0350872% change)
linmin: converged after 3 iterations.
- iteration 11: trace = 6.749302803233563 (0.0362383% change)
+ iteration 11: trace = 6.749302805579795 (0.0362383% change)
linmin: converged after 3 iterations.
- iteration 12: trace = 6.748516481140149 (0.0116511% change)
+ iteration 12: trace = 6.748516481467488 (0.0116511% change)
linmin: converged after 4 iterations.
- iteration 13: trace = 6.747249224640233 (0.0187801% change)
+ iteration 13: trace = 6.747249224483678 (0.0187801% change)
linmin: converged after 3 iterations.
- iteration 14: trace = 6.746632665094483 (0.00913836% change)
+ iteration 14: trace = 6.746632665005198 (0.00913836% change)
linmin: converged after 4 iterations.
- iteration 15: trace = 6.745834465752674 (0.0118318% change)
+ iteration 15: trace = 6.745834466951791 (0.0118318% change)
linmin: converged after 3 iterations.
- iteration 16: trace = 6.745082856496751 (0.0111424% change)
+ iteration 16: trace = 6.745082856580287 (0.0111425% change)
linmin: converged after 3 iterations.
- iteration 17: trace = 6.743977418818899 (0.0163901% change)
+ iteration 17: trace = 6.743977418317787 (0.0163901% change)
linmin: converged after 3 iterations.
- iteration 18: trace = 6.743390383242796 (0.00870497% change)
+ iteration 18: trace = 6.743390381107973 (0.00870499% change)
linmin: converged after 4 iterations.
- iteration 19: trace = 6.743072678219028 (0.00471147% change)
+ iteration 19: trace = 6.743072677318737 (0.00471145% change)
linmin: converged after 3 iterations.
- iteration 20: trace = 6.742715957574696 (0.00529032% change)
+ iteration 20: trace = 6.742715957521778 (0.00529031% change)
+ linmin: converged after 4 iterations.
+ iteration 21: trace = 6.742464018739581 (0.00373653% change)
linmin: converged after 3 iterations.
- iteration 21: trace = 6.742464020086605 (0.00373651% change)
+ iteration 22: trace = 6.742330318042049 (0.00198298% change)
linmin: converged after 3 iterations.
- iteration 22: trace = 6.742330320976678 (0.00198296% change)
+ iteration 23: trace = 6.742122762263762 (0.00307845% change)
linmin: converged after 3 iterations.
- iteration 23: trace = 6.742122762408378 (0.00307849% change)
+ iteration 24: trace = 6.742003826489738 (0.00176409% change)
linmin: converged after 3 iterations.
- iteration 24: trace = 6.742003826540353 (0.00176409% change)
+ iteration 25: trace = 6.741880968194836 (0.0018223% change)
linmin: converged after 3 iterations.
- iteration 25: trace = 6.741880968654315 (0.00182229% change)
+ iteration 26: trace = 6.741788400386207 (0.00137304% change)
linmin: converged after 3 iterations.
- iteration 26: trace = 6.741788400424308 (0.00137304% change)
+ iteration 27: trace = 6.741624608073153 (0.00242954% change)
linmin: converged after 3 iterations.
- iteration 27: trace = 6.741624608298757 (0.00242954% change)
+ iteration 28: trace = 6.741503272403072 (0.00179981% change)
linmin: converged after 3 iterations.
- iteration 28: trace = 6.741503274116909 (0.00179979% change)
- linmin: converged after 4 iterations.
- iteration 29: trace = 6.741388490429167 (0.00170266% change)
- linmin: converged after 8 iterations.
- iteration 30: trace = 6.741262264020804 (0.00187243% change)
+ iteration 29: trace = 6.741388489363317 (0.00170265% change)
+ linmin: converged after 6 iterations.
+ iteration 30: trace = 6.741262264059208 (0.00187241% change)
linmin: converged after 4 iterations.
- iteration 31: trace = 6.741141894022464 (0.00178559% change)
+ iteration 31: trace = 6.741141893549124 (0.00178559% change)
linmin: converged after 3 iterations.
- iteration 32: trace = 6.74109194778558 (0.000740919% change)
- large trace change predicted (0.0015712%)
+ iteration 32: trace = 6.741091947525104 (0.000740916% change)
+ large trace change predicted (0.00157119%)
linmin: converged after 3 iterations.
- iteration 33: trace = 6.740986068071619 (0.00157067% change)
+ iteration 33: trace = 6.740986068049176 (0.00157067% change)
linmin: converged after 3 iterations.
- iteration 34: trace = 6.740890539238255 (0.00141714% change)
+ iteration 34: trace = 6.740890539396183 (0.00141714% change)
+ linmin: converged after 5 iterations.
+ iteration 35: trace = 6.740821369864309 (0.00102612% change)
linmin: converged after 3 iterations.
- iteration 35: trace = 6.740821369640258 (0.00102612% change)
+ iteration 36: trace = 6.740737626272201 (0.00124234% change)
linmin: converged after 3 iterations.
- iteration 36: trace = 6.740737626221328 (0.00124234% change)
+ iteration 37: trace = 6.740661828964681 (0.00112447% change)
linmin: converged after 3 iterations.
- iteration 37: trace = 6.740661828861594 (0.00112447% change)
+ iteration 38: trace = 6.740629875908607 (0.000474036% change)
linmin: converged after 3 iterations.
- iteration 38: trace = 6.740629875483647 (0.00047404% change)
- linmin: converged after 4 iterations.
- iteration 39: trace = 6.740602082832254 (0.000412316% change)
+ iteration 39: trace = 6.740602082860931 (0.000412322% change)
linmin: converged after 3 iterations.
- iteration 40: trace = 6.740570556701472 (0.000467706% change)
- linmin: converged after 15 iterations.
- iteration 41: trace = 6.740536128832213 (0.000510757% change)
+ iteration 40: trace = 6.74057055677319 (0.000467705% change)
linmin: converged after 4 iterations.
- iteration 42: trace = 6.740511930212224 (0.000359002% change)
+ iteration 41: trace = 6.740536129170447 (0.000510753% change)
linmin: converged after 4 iterations.
- iteration 43: trace = 6.740477774203758 (0.000506729% change)
+ iteration 42: trace = 6.740511930362675 (0.000359005% change)
linmin: converged after 3 iterations.
- iteration 44: trace = 6.740464323510009 (0.000199551% change)
+ iteration 43: trace = 6.740477774219896 (0.00050673% change)
linmin: converged after 3 iterations.
- iteration 45: trace = 6.740454927660496 (0.000139395% change)
+ iteration 44: trace = 6.740464323511324 (0.000199551% change)
+ linmin: converged after 5 iterations.
+ iteration 45: trace = 6.740454927655737 (0.000139395% change)
linmin: converged after 3 iterations.
- iteration 46: trace = 6.740442913058701 (0.000178246% change)
+ iteration 46: trace = 6.740442913037723 (0.000178247% change)
+ linmin: converged after 4 iterations.
+ iteration 47: trace = 6.740433220338594 (0.000143799% change)
linmin: converged after 3 iterations.
- iteration 47: trace = 6.740433220383139 (0.000143799% change)
+ iteration 48: trace = 6.740427239839696 (8.87258e-05% change)
linmin: converged after 3 iterations.
- iteration 48: trace = 6.740427240072998 (8.8723e-05% change)
+ iteration 49: trace = 6.740422387232863 (7.19926e-05% change)
linmin: converged after 3 iterations.
- iteration 49: trace = 6.740422387262584 (7.19956e-05% change)
+ iteration 50: trace = 6.740416731179712 (8.39125e-05% change)
linmin: converged after 3 iterations.
- iteration 50: trace = 6.740416731226987 (8.39122e-05% change)
+ iteration 51: trace = 6.740414147974462 (3.83241e-05% change)
linmin: converged after 4 iterations.
- iteration 51: trace = 6.740414148071736 (3.83234e-05% change)
+ iteration 52: trace = 6.740411996825589 (3.19142e-05% change)
linmin: converged after 3 iterations.
- iteration 52: trace = 6.740411996847174 (3.19153e-05% change)
- linmin: converged after 3 iterations.
- iteration 53: trace = 6.740409269508348 (4.04625e-05% change)
- linmin: converged after 4 iterations.
- iteration 54: trace = 6.740406805416326 (3.6557e-05% change)
+ iteration 53: trace = 6.740409269503295 (4.04623e-05% change)
+ linmin: converged after 5 iterations.
+ iteration 54: trace = 6.740406805457891 (3.65563e-05% change)
linmin: converged after 4 iterations.
- iteration 55: trace = 6.740405527769054 (1.8955e-05% change)
+ iteration 55: trace = 6.740405527763937 (1.89557e-05% change)
linmin: converged after 3 iterations.
- iteration 56: trace = 6.740404267303223 (1.87002e-05% change)
- linmin: converged after 3 iterations.
- iteration 57: trace = 6.740403728427431 (7.99471e-06% change)
- linmin: converged after 3 iterations.
- iteration 58: trace = 6.74040343819223 (4.3059e-06% change)
- linmin: converged after 16 iterations.
- iteration 59: trace = 6.740402943820226 (7.33446e-06% change)
+ iteration 56: trace = 6.74040426729544 (1.87002e-05% change)
+ linmin: converged after 4 iterations.
+ iteration 57: trace = 6.740403728431312 (7.99454e-06% change)
linmin: converged after 3 iterations.
- iteration 60: trace = 6.740402141855679 (1.18979e-05% change)
+ iteration 58: trace = 6.74040343821672 (4.3056e-06% change)
+ linmin: converged after 7 iterations.
+ iteration 59: trace = 6.74040294381777 (7.33486e-06% change)
+ linmin: converged after 5 iterations.
+ iteration 60: trace = 6.740402141835069 (1.18981e-05% change)
linmin: converged after 3 iterations.
- iteration 61: trace = 6.740401774602421 (5.44854e-06% change)
+ iteration 61: trace = 6.740401774569884 (5.44871e-06% change)
linmin: converged after 4 iterations.
- iteration 62: trace = 6.740401383698577 (5.79941e-06% change)
+ iteration 62: trace = 6.740401383698345 (5.79894e-06% change)
+ linmin: converged after 21 iterations.
+ iteration 63: trace = 6.740401213335247 (2.52749e-06% change)
+ linmin: converged after 6 iterations.
+ iteration 64: trace = 6.740401083429761 (1.92727e-06% change)
linmin: converged after 3 iterations.
- iteration 63: trace = 6.74040121333598 (2.52748e-06% change)
- linmin: converged after 11 iterations.
- iteration 64: trace = 6.740401083437249 (1.92717e-06% change)
+ iteration 65: trace = 6.740400960821545 (1.819e-06% change)
+ linmin: converged after 20 iterations.
+ iteration 66: trace = 6.740400775719694 (2.74615e-06% change)
linmin: converged after 4 iterations.
- iteration 65: trace = 6.740400960825165 (1.81906e-06% change)
+ iteration 67: trace = 6.740400708161001 (1.00229e-06% change)
linmin: converged after 3 iterations.
- iteration 66: trace = 6.740400775720624 (2.74619e-06% change)
+ iteration 68: trace = 6.740400660070397 (7.13468e-07% change)
linmin: converged after 4 iterations.
- iteration 67: trace = 6.740400708166186 (1.00223e-06% change)
- linmin: converged after 19 iterations.
- iteration 68: trace = 6.740400660070001 (7.13551e-07% change)
- linmin: converged after 31 iterations.
- iteration 69: trace = 6.74040062254798 (5.56673e-07% change)
+ iteration 69: trace = 6.740400622547428 (5.56688e-07% change)
resetting CG direction...
- linmin: converged after 6 iterations.
- iteration 70: trace = 6.74040060312624 (2.88139e-07% change)
linmin: converged after 3 iterations.
- iteration 71: trace = 6.740400587239849 (2.35689e-07% change)
- linmin: converged after 4 iterations.
- iteration 72: trace = 6.740400563945599 (3.45591e-07% change)
- linmin: converged after 4 iterations.
- iteration 73: trace = 6.74040053383998 (4.46644e-07% change)
- linmin: converged after 7 iterations.
- iteration 74: trace = 6.740400521568885 (1.82053e-07% change)
+ iteration 70: trace = 6.740400603121152 (2.88207e-07% change)
+ linmin: converged after 25 iterations.
+ iteration 71: trace = 6.740400587234104 (2.35699e-07% change)
linmin: converged after 3 iterations.
- iteration 75: trace = 6.740400502328089 (2.85455e-07% change)
+ iteration 72: trace = 6.740400563942032 (3.45559e-07% change)
linmin: converged after 3 iterations.
- iteration 76: trace = 6.740400485759526 (2.4581e-07% change)
- linmin: converged after 5 iterations.
- iteration 77: trace = 6.740400468356567 (2.58189e-07% change)
+ iteration 73: trace = 6.74040053383458 (4.46672e-07% change)
linmin: converged after 2 iterations.
- iteration 78: trace = 6.740400451031929 (2.57027e-07% change)
- linmin: converged after 5 iterations.
- iteration 79: trace = 6.740400430663574 (3.02183e-07% change)
+ iteration 74: trace = 6.740400521561845 (1.82077e-07% change)
+ linmin: converged after 2 iterations.
+ iteration 75: trace = 6.740400502327783 (2.85355e-07% change)
+ linmin: converged after 2 iterations.
+ iteration 76: trace = 6.740400485760162 (2.45796e-07% change)
linmin: converged after 3 iterations.
- iteration 80: trace = 6.740400419609705 (1.63994e-07% change)
- linmin: converged after 6 iterations.
- iteration 81: trace = 6.740400411511883 (1.20139e-07% change)
- linmin: converged after 4 iterations.
- iteration 82: trace = 6.740400400771231 (1.59347e-07% change)
- linmin: converged after 16 iterations.
- iteration 83: trace = 6.740400386869953 (2.06238e-07% change)
- linmin: converged after 7 iterations.
- iteration 84: trace = 6.740400376231782 (1.57827e-07% change)
+ iteration 77: trace = 6.740400468354878 (2.58223e-07% change)
linmin: converged after 7 iterations.
- iteration 85: trace = 6.740400359188088 (2.52859e-07% change)
- linmin: converged after 23 iterations.
- iteration 86: trace = 6.740400345751037 (1.99351e-07% change)
- linmin: converged after 7 iterations.
- iteration 87: trace = 6.740400338469485 (1.08028e-07% change)
- linmin: converged after 4 iterations.
- iteration 88: trace = 6.740400333644134 (7.15885e-08% change)
+ iteration 78: trace = 6.740400451032714 (2.5699e-07% change)
linmin: converged after 8 iterations.
- iteration 89: trace = 6.740400326303966 (1.08898e-07% change)
- linmin: converged after 4 iterations.
- iteration 90: trace = 6.740400316356354 (1.47582e-07% change)
+ iteration 79: trace = 6.740400430663469 (3.02196e-07% change)
linmin: converged after 3 iterations.
- iteration 91: trace = 6.740400308733944 (1.13085e-07% change)
+ iteration 80: trace = 6.740400419605584 (1.64054e-07% change)
+ linmin: converged after 4 iterations.
+ iteration 81: trace = 6.740400411510347 (1.201e-07% change)
+ linmin: converged after 4 iterations.
+ iteration 82: trace = 6.740400400770022 (1.59343e-07% change)
+ linmin: converged after 5 iterations.
+ iteration 83: trace = 6.740400386870794 (2.06208e-07% change)
linmin: converged after 5 iterations.
- iteration 92: trace = 6.740400300065566 (1.28603e-07% change)
+ iteration 84: trace = 6.740400376234819 (1.57794e-07% change)
+ linmin: converged after 5 iterations.
+ iteration 85: trace = 6.740400359188582 (2.52896e-07% change)
linmin: converged after 7 iterations.
- iteration 93: trace = 6.740400294142513 (8.78739e-08% change)
+ iteration 86: trace = 6.740400345750545 (1.99366e-07% change)
+ linmin: converged after 2 iterations.
+ iteration 87: trace = 6.740400338469746 (1.08017e-07% change)
linmin: converged after 4 iterations.
- iteration 94: trace = 6.740400290938995 (4.75271e-08% change)
+ iteration 88: trace = 6.740400333643833 (7.15968e-08% change)
linmin: converged after 4 iterations.
- iteration 95: trace = 6.740400289529077 (2.09174e-08% change)
- large trace change predicted (5.3242e-08%)
- linmin: converged after 2 iterations.
- iteration 96: trace = 6.740400285940314 (5.32426e-08% change)
- linmin: converged after 12 iterations.
- iteration 97: trace = 6.740400283468649 (3.66694e-08% change)
+ iteration 89: trace = 6.740400326303956 (1.08894e-07% change)
linmin: converged after 4 iterations.
- iteration 98: trace = 6.740400281379826 (3.09896e-08% change)
+ iteration 90: trace = 6.740400316352233 (1.47643e-07% change)
linmin: converged after 4 iterations.
- iteration 99: trace = 6.740400280637219 (1.10173e-08% change)
- linmin: converged after 5 iterations.
- iteration 100: trace = 6.7404002796497 (1.46508e-08% change)
- linmin: converged after 16 iterations.
- iteration 101: trace = 6.740400278730779 (1.3633e-08% change)
- linmin: converged after 29 iterations.
- iteration 102: trace = 6.740400277986254 (1.10457e-08% change)
+ iteration 91: trace = 6.740400308721648 (1.13207e-07% change)
+ linmin: converged after 4 iterations.
+ iteration 92: trace = 6.740400300062985 (1.28459e-07% change)
+ linmin: converged after 9 iterations.
+ iteration 93: trace = 6.740400294141174 (8.78555e-08% change)
linmin: converged after 4 iterations.
- iteration 103: trace = 6.740400277260739 (1.07637e-08% change)
+ iteration 94: trace = 6.740400290913058 (4.7892e-08% change)
+ linmin: converged after 18 iterations.
+ iteration 95: trace = 6.740400289497243 (2.10049e-08% change)
+ large trace change predicted (5.2805e-08%)
linmin: converged after 4 iterations.
- iteration 104: trace = 6.740400276416281 (1.25283e-08% change)
+ iteration 96: trace = 6.740400285937942 (5.28055e-08% change)
linmin: converged after 3 iterations.
- iteration 105: trace = 6.740400275748705 (9.9041e-09% change)
- linmin: converged after 13 iterations.
- iteration 106: trace = 6.740400275455274 (4.35332e-09% change)
- linmin: converged after 5 iterations.
- iteration 107: trace = 6.740400275281644 (2.57596e-09% change)
- linmin: converged after 22 iterations.
- iteration 108: trace = 6.740400275011923 (4.00156e-09% change)
+ iteration 97: trace = 6.740400283463217 (3.67148e-08% change)
linmin: converged after 4 iterations.
- iteration 109: trace = 6.740400274878135 (1.98487e-09% change)
- linmin: converged after 21 iterations.
- iteration 110: trace = 6.740400274750899 (1.88766e-09% change)
- linmin: converged after 20 iterations.
- iteration 111: trace = 6.740400274636951 (1.69052e-09% change)
- linmin: converged after 11 iterations.
- iteration 112: trace = 6.74040027454282 (1.39652e-09% change)
+ iteration 98: trace = 6.74040028134382 (3.14432e-08% change)
linmin: converged after 6 iterations.
- iteration 113: trace = 6.740400274513787 (4.30728e-10% change)
- linmin: converged after 13 iterations.
- iteration 114: trace = 6.740400274462895 (7.55025e-10% change)
+ iteration 99: trace = 6.740400280029284 (1.95023e-08% change)
+ linmin: converged after 14 iterations.
+ iteration 100: trace = 6.740400279556239 (7.01806e-09% change)
linmin: converged after 4 iterations.
- iteration 115: trace = 6.740400274397404 (9.71628e-10% change)
- linmin: converged after 19 iterations.
- iteration 116: trace = 6.74040027435167 (6.78507e-10% change)
- linmin: converged after 12 iterations.
- iteration 117: trace = 6.740400274329971 (3.21913e-10% change)
- linmin: converged after 12 iterations.
- iteration 118: trace = 6.740400274300264 (4.40742e-10% change)
+ iteration 101: trace = 6.740400278706889 (1.26009e-08% change)
linmin: converged after 9 iterations.
- iteration 119: trace = 6.74040027427553 (3.66951e-10% change)
+ iteration 102: trace = 6.740400277957828 (1.1113e-08% change)
linmin: converged after 4 iterations.
- iteration 120: trace = 6.740400274262241 (1.97153e-10% change)
- linmin: converged after 12 iterations.
- iteration 121: trace = 6.740400274248134 (2.09289e-10% change)
+ iteration 103: trace = 6.74040027725008 (1.05001e-08% change)
+ linmin: converged after 6 iterations.
+ iteration 104: trace = 6.740400276415501 (1.23817e-08% change)
+ linmin: converged after 4 iterations.
+ iteration 105: trace = 6.740400275748151 (9.90076e-09% change)
+ linmin: converged after 15 iterations.
+ iteration 106: trace = 6.740400275449092 (4.43681e-09% change)
+ linmin: converged after 4 iterations.
+ iteration 107: trace = 6.740400275279894 (2.51021e-09% change)
+ linmin: converged after 3 iterations.
+ iteration 108: trace = 6.740400275008873 (4.02085e-09% change)
+ linmin: converged after 24 iterations.
+ iteration 109: trace = 6.740400274867506 (2.09731e-09% change)
+ linmin: converged after 7 iterations.
+ iteration 110: trace = 6.740400274745429 (1.81112e-09% change)
+ linmin: converged after 4 iterations.
+ iteration 111: trace = 6.740400274636625 (1.61421e-09% change)
+ linmin: converged after 15 iterations.
+ iteration 112: trace = 6.740400274539723 (1.43763e-09% change)
+ linmin: converged after 2 iterations.
+ iteration 113: trace = 6.740400274501827 (5.6222e-10% change)
+ linmin: converged after 4 iterations.
+ iteration 114: trace = 6.740400274460936 (6.06653e-10% change)
+ linmin: converged after 20 iterations.
+ iteration 115: trace = 6.740400274396968 (9.49016e-10% change)
linmin: converged after 4 iterations.
- iteration 122: trace = 6.74040027423582 (1.82685e-10% change)
+ iteration 116: trace = 6.740400274346779 (7.44602e-10% change)
linmin: converged after 4 iterations.
- iteration 123: trace = 6.740400274230122 (8.45301e-11% change)
-Finished solving for bands 1 to 8 after 123 iterations.
+ iteration 117: trace = 6.740400274324457 (3.31176e-10% change)
+ linmin: converged after 10 iterations.
+ iteration 118: trace = 6.740400274300108 (3.61233e-10% change)
+ linmin: converged after 12 iterations.
+ iteration 119: trace = 6.740400274274156 (3.85017e-10% change)
+ linmin: converged after 5 iterations.
+ iteration 120: trace = 6.740400274255693 (2.73922e-10% change)
+ linmin: converged after 5 iterations.
+ iteration 121: trace = 6.740400274240774 (2.21333e-10% change)
+ linmin: converged after 4 iterations.
+ iteration 122: trace = 6.740400274235373 (8.0129e-11% change)
+Finished solving for bands 1 to 8 after 122 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: 1.6618518829345703
+elapsed time for k point: 4.000620365142822
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
- iteration 1: trace = 6.787868894561756 (0.213566% change)
+ iteration 1: trace = 6.787869131036962 (0.213562% change)
linmin: converged after 3 iterations.
- iteration 2: trace = 6.776022097859532 (0.174681% change)
+ iteration 2: trace = 6.776022184685056 (0.174684% change)
linmin: converged after 3 iterations.
- iteration 3: trace = 6.769929070049329 (0.0899609% change)
+ iteration 3: trace = 6.769929110656107 (0.0899616% change)
linmin: converged after 4 iterations.
- iteration 4: trace = 6.767085858919716 (0.0420065% change)
+ iteration 4: trace = 6.767085903214131 (0.0420064% change)
linmin: converged after 4 iterations.
- iteration 5: trace = 6.765298899184147 (0.0264101% change)
+ iteration 5: trace = 6.76529893784572 (0.0264102% change)
linmin: converged after 3 iterations.
- iteration 6: trace = 6.763340703504475 (0.0289489% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 6.760043703128134 (0.04876% change)
+ iteration 6: trace = 6.763340738832111 (0.0289489% change)
linmin: converged after 4 iterations.
- iteration 8: trace = 6.757627094571365 (0.0357548% change)
+ iteration 7: trace = 6.760043765597652 (0.0487596% change)
+ linmin: converged after 5 iterations.
+ iteration 8: trace = 6.757627129829937 (0.0357552% change)
linmin: converged after 4 iterations.
- iteration 9: trace = 6.754119979398712 (0.0519121% change)
+ iteration 9: trace = 6.754120010583084 (0.0519122% change)
linmin: converged after 4 iterations.
- iteration 10: trace = 6.75163525675401 (0.036795% change)
+ iteration 10: trace = 6.751635291017786 (0.036795% change)
linmin: converged after 4 iterations.
- iteration 11: trace = 6.749275913842616 (0.0349509% change)
+ iteration 11: trace = 6.749275841749045 (0.0349524% change)
linmin: converged after 4 iterations.
- iteration 12: trace = 6.748514035543023 (0.0112889% change)
- large trace change predicted (0.0342028%)
+ iteration 12: trace = 6.748513898439189 (0.0112899% change)
+ large trace change predicted (0.0342013%)
linmin: converged after 3 iterations.
- iteration 13: trace = 6.746182802192854 (0.0345504% change)
+ iteration 13: trace = 6.746182767456395 (0.0345488% change)
linmin: converged after 3 iterations.
- iteration 14: trace = 6.744301253387214 (0.0278945% change)
+ iteration 14: trace = 6.744300769664274 (0.0279011% change)
linmin: converged after 3 iterations.
- iteration 15: trace = 6.742003628869275 (0.0340734% change)
+ iteration 15: trace = 6.742003412442922 (0.0340695% change)
linmin: converged after 3 iterations.
- iteration 16: trace = 6.740281272288031 (0.0255499% change)
+ iteration 16: trace = 6.740281200562176 (0.0255478% change)
linmin: converged after 3 iterations.
- iteration 17: trace = 6.739215834939365 (0.0158083% change)
+ iteration 17: trace = 6.739215643646952 (0.01581% change)
linmin: converged after 4 iterations.
- iteration 18: trace = 6.738862256984321 (0.00524671% change)
+ iteration 18: trace = 6.738862055027246 (0.00524687% change)
linmin: converged after 3 iterations.
- iteration 19: trace = 6.73833234994108 (0.00786376% change)
+ iteration 19: trace = 6.738332326270477 (0.00786111% change)
linmin: converged after 3 iterations.
- iteration 20: trace = 6.737625971738113 (0.0104835% change)
+ iteration 20: trace = 6.737625986131111 (0.010483% change)
linmin: converged after 3 iterations.
- iteration 21: trace = 6.737211474384879 (0.00615217% change)
+ iteration 21: trace = 6.737211471468036 (0.00615243% change)
linmin: converged after 3 iterations.
- iteration 22: trace = 6.736596697591564 (0.00912551% change)
+ iteration 22: trace = 6.736596736496211 (0.00912489% change)
linmin: converged after 3 iterations.
- iteration 23: trace = 6.736116014632835 (0.00713565% change)
- linmin: converged after 4 iterations.
- iteration 24: trace = 6.735569710627169 (0.0081104% change)
+ iteration 23: trace = 6.736116024152479 (0.00713609% change)
+ linmin: converged after 3 iterations.
+ iteration 24: trace = 6.735569729691633 (0.00811026% change)
linmin: converged after 3 iterations.
- iteration 25: trace = 6.735310736430284 (0.00384495% change)
+ iteration 25: trace = 6.735310739414691 (0.00384519% change)
linmin: converged after 3 iterations.
- iteration 26: trace = 6.734879759572813 (0.00639897% change)
+ iteration 26: trace = 6.734879755717884 (0.00639907% change)
linmin: converged after 4 iterations.
- iteration 27: trace = 6.734393376777808 (0.00722211% change)
+ iteration 27: trace = 6.734393207020597 (0.00722457% change)
linmin: converged after 3 iterations.
- iteration 28: trace = 6.733901809133098 (0.00729963% change)
+ iteration 28: trace = 6.733901757301224 (0.00729788% change)
linmin: converged after 3 iterations.
- iteration 29: trace = 6.733209907494645 (0.0102754% change)
+ iteration 29: trace = 6.733209964646174 (0.0102738% change)
linmin: converged after 5 iterations.
- iteration 30: trace = 6.73234965260204 (0.0127771% change)
+ iteration 30: trace = 6.732349680864258 (0.0127775% change)
linmin: converged after 4 iterations.
- iteration 31: trace = 6.731921757479517 (0.00635601% change)
+ iteration 31: trace = 6.731921993238844 (0.00635293% change)
linmin: converged after 3 iterations.
- iteration 32: trace = 6.73146114838392 (0.0068424% change)
+ iteration 32: trace = 6.731461181293171 (0.00684541% change)
linmin: converged after 3 iterations.
- iteration 33: trace = 6.731024257593041 (0.00649049% change)
+ iteration 33: trace = 6.731024364467298 (0.00648939% change)
linmin: converged after 3 iterations.
- iteration 34: trace = 6.730758281390215 (0.00395157% change)
+ iteration 34: trace = 6.730758295826775 (0.00395295% change)
linmin: converged after 3 iterations.
- iteration 35: trace = 6.730487896341662 (0.00401724% change)
+ iteration 35: trace = 6.730487963239781 (0.00401646% change)
linmin: converged after 3 iterations.
- iteration 36: trace = 6.730155611095073 (0.00493714% change)
+ iteration 36: trace = 6.730155609994504 (0.00493815% change)
linmin: converged after 3 iterations.
- iteration 37: trace = 6.72972126355817 (0.00645396% change)
+ iteration 37: trace = 6.729721020072288 (0.00645756% change)
linmin: converged after 4 iterations.
- iteration 38: trace = 6.729527916186817 (0.00287308% change)
+ iteration 38: trace = 6.729527784822336 (0.00287141% change)
linmin: converged after 3 iterations.
- iteration 39: trace = 6.729325307392039 (0.00301079% change)
+ iteration 39: trace = 6.729325321973416 (0.00300862% change)
linmin: converged after 4 iterations.
- iteration 40: trace = 6.729238816203681 (0.0012853% change)
+ iteration 40: trace = 6.729238834151795 (0.00128525% change)
linmin: converged after 3 iterations.
- iteration 41: trace = 6.729183779395769 (0.000817879% change)
- linmin: converged after 6 iterations.
- iteration 42: trace = 6.729120115637182 (0.000946089% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 6.729017040020709 (0.0015318% change)
+ iteration 41: trace = 6.729183792049949 (0.000817958% change)
+ linmin: converged after 4 iterations.
+ iteration 42: trace = 6.729120140138635 (0.000945913% change)
+ linmin: converged after 10 iterations.
+ iteration 43: trace = 6.729017048419902 (0.00153204% change)
linmin: converged after 3 iterations.
- iteration 44: trace = 6.728962305932486 (0.000813407% change)
+ iteration 44: trace = 6.728962331344335 (0.000813154% change)
linmin: converged after 3 iterations.
- iteration 45: trace = 6.728906725084051 (0.000825998% change)
+ iteration 45: trace = 6.728906736029314 (0.000826213% change)
linmin: converged after 3 iterations.
- iteration 46: trace = 6.728867495942988 (0.000582996% change)
+ iteration 46: trace = 6.72886752280901 (0.000582759% change)
linmin: converged after 3 iterations.
- iteration 47: trace = 6.728848429906664 (0.000283347% change)
+ iteration 47: trace = 6.728848431634932 (0.000283721% change)
linmin: converged after 3 iterations.
- iteration 48: trace = 6.728839595428558 (0.000131293% change)
+ iteration 48: trace = 6.728839603454578 (0.000131199% change)
linmin: converged after 5 iterations.
- iteration 49: trace = 6.728828036383319 (0.000171784% change)
- linmin: converged after 3 iterations.
- iteration 50: trace = 6.728815696153597 (0.000183394% change)
- linmin: converged after 6 iterations.
- iteration 51: trace = 6.72880830562058 (0.000109834% change)
- linmin: converged after 4 iterations.
- iteration 52: trace = 6.728797313435932 (0.00016336% change)
+ iteration 49: trace = 6.728828041633498 (0.000171825% change)
linmin: converged after 5 iterations.
- iteration 53: trace = 6.728790322962288 (0.000103889% change)
- linmin: converged after 3 iterations.
- iteration 54: trace = 6.728785442530073 (7.25306e-05% change)
+ iteration 50: trace = 6.728815697425562 (0.000183453% change)
linmin: converged after 4 iterations.
- iteration 55: trace = 6.728781934730987 (5.21313e-05% change)
- linmin: converged after 3 iterations.
- iteration 56: trace = 6.728777421027439 (6.70806e-05% change)
- linmin: converged after 3 iterations.
- iteration 57: trace = 6.728774464387391 (4.39402e-05% change)
- linmin: converged after 9 iterations.
- iteration 58: trace = 6.728770671402769 (5.63696e-05% change)
+ iteration 51: trace = 6.728808307359564 (0.000109827% change)
+ linmin: converged after 5 iterations.
+ iteration 52: trace = 6.728797325368938 (0.000163209% change)
linmin: converged after 3 iterations.
- iteration 59: trace = 6.728766383700355 (6.37219e-05% change)
+ iteration 53: trace = 6.728790329078553 (0.000103975% change)
linmin: converged after 3 iterations.
- iteration 60: trace = 6.728759702599734 (9.92917e-05% change)
- linmin: converged after 5 iterations.
- iteration 61: trace = 6.728756008018565 (5.49073e-05% change)
+ iteration 54: trace = 6.728785446676176 (7.25599e-05% change)
+ linmin: converged after 4 iterations.
+ iteration 55: trace = 6.728781938565318 (5.21359e-05% change)
linmin: converged after 3 iterations.
- iteration 62: trace = 6.72875132999046 (6.9523e-05% change)
+ iteration 56: trace = 6.728777422778094 (6.71115e-05% change)
+ linmin: converged after 4 iterations.
+ iteration 57: trace = 6.728774451842456 (4.41527e-05% change)
linmin: converged after 5 iterations.
- iteration 63: trace = 6.728747963531919 (5.0031e-05% change)
+ iteration 58: trace = 6.728770672016333 (5.61741e-05% change)
linmin: converged after 3 iterations.
- iteration 64: trace = 6.728746082036418 (2.7962e-05% change)
+ iteration 59: trace = 6.728766387933817 (6.36682e-05% change)
+ linmin: converged after 4 iterations.
+ iteration 60: trace = 6.728759704415217 (9.93276e-05% change)
+ linmin: converged after 4 iterations.
+ iteration 61: trace = 6.728756010728964 (5.4894e-05% change)
linmin: converged after 4 iterations.
- iteration 65: trace = 6.728743717519837 (3.51405e-05% change)
+ iteration 62: trace = 6.728751332586158 (6.95247e-05% change)
linmin: converged after 4 iterations.
- iteration 66: trace = 6.728741219038851 (3.71315e-05% change)
+ iteration 63: trace = 6.728747964821566 (5.00504e-05% change)
+ linmin: converged after 4 iterations.
+ iteration 64: trace = 6.728746080846179 (2.79989e-05% change)
linmin: converged after 8 iterations.
- iteration 67: trace = 6.728737885736026 (4.95383e-05% change)
+ iteration 65: trace = 6.728743719135814 (3.50988e-05% change)
linmin: converged after 3 iterations.
- iteration 68: trace = 6.728735364539105 (3.74691e-05% change)
+ iteration 66: trace = 6.728741219553012 (3.71478e-05% change)
linmin: converged after 4 iterations.
- iteration 69: trace = 6.728731337984738 (5.98412e-05% change)
- resetting CG direction...
+ iteration 67: trace = 6.728737882113636 (4.95998e-05% change)
linmin: converged after 4 iterations.
- iteration 70: trace = 6.72873034437392 (1.47667e-05% change)
- linmin: converged after 3 iterations.
- iteration 71: trace = 6.72872960776986 (1.09471e-05% change)
+ iteration 68: trace = 6.72873536428061 (3.74191e-05% change)
linmin: converged after 3 iterations.
- iteration 72: trace = 6.728728722987234 (1.31493e-05% change)
+ iteration 69: trace = 6.728731340105782 (5.98058e-05% change)
+ resetting CG direction...
+ linmin: converged after 4 iterations.
+ iteration 70: trace = 6.728730346437088 (1.47676e-05% change)
linmin: converged after 3 iterations.
- iteration 73: trace = 6.728727748014585 (1.44897e-05% change)
+ iteration 71: trace = 6.7287296102217 (1.09414e-05% change)
+ linmin: converged after 5 iterations.
+ iteration 72: trace = 6.728728725309153 (1.31513e-05% change)
linmin: converged after 3 iterations.
- iteration 74: trace = 6.728727116998245 (9.37794e-06% change)
+ iteration 73: trace = 6.728727749456139 (1.45028e-05% change)
linmin: converged after 3 iterations.
- iteration 75: trace = 6.728726357738136 (1.12839e-05% change)
+ iteration 74: trace = 6.728727118022348 (9.38415e-06% change)
+ linmin: converged after 6 iterations.
+ iteration 75: trace = 6.728726359531559 (1.12724e-05% change)
linmin: converged after 4 iterations.
- iteration 76: trace = 6.728725546067456 (1.20628e-05% change)
+ iteration 76: trace = 6.728725548381308 (1.2055e-05% change)
linmin: converged after 3 iterations.
- iteration 77: trace = 6.728725087750155 (6.81135e-06% change)
- linmin: converged after 2 iterations.
- iteration 78: trace = 6.728724366364244 (1.0721e-05% change)
- linmin: converged after 5 iterations.
- iteration 79: trace = 6.72872358722023 (1.15794e-05% change)
+ iteration 77: trace = 6.728725091502313 (6.78998e-06% change)
linmin: converged after 4 iterations.
- iteration 80: trace = 6.728722669521229 (1.36385e-05% change)
+ iteration 78: trace = 6.728724368396527 (1.07466e-05% change)
linmin: converged after 3 iterations.
- iteration 81: trace = 6.728722087341527 (8.65216e-06% change)
- linmin: converged after 5 iterations.
- iteration 82: trace = 6.728721146582687 (1.39812e-05% change)
+ iteration 79: trace = 6.728723588971228 (1.15836e-05% change)
+ linmin: converged after 3 iterations.
+ iteration 80: trace = 6.728722668671786 (1.36772e-05% change)
linmin: converged after 3 iterations.
- iteration 83: trace = 6.728720479314836 (9.91671e-06% change)
+ iteration 81: trace = 6.728722087357824 (8.63929e-06% change)
+ linmin: converged after 7 iterations.
+ iteration 82: trace = 6.728721147812294 (1.39632e-05% change)
+ linmin: converged after 13 iterations.
+ iteration 83: trace = 6.728720480630803 (9.91543e-06% change)
+ linmin: converged after 14 iterations.
+ iteration 84: trace = 6.728720022250231 (6.8123e-06% change)
+ linmin: converged after 4 iterations.
+ iteration 85: trace = 6.728719587217784 (6.46531e-06% change)
+ linmin: converged after 4 iterations.
+ iteration 86: trace = 6.728719152626347 (6.45875e-06% change)
+ linmin: converged after 11 iterations.
+ iteration 87: trace = 6.728718340375255 (1.20714e-05% change)
linmin: converged after 3 iterations.
- iteration 84: trace = 6.728720020913256 (6.81261e-06% change)
+ iteration 88: trace = 6.728717407165203 (1.38691e-05% change)
linmin: converged after 3 iterations.
- iteration 85: trace = 6.728719586507617 (6.45599e-06% change)
+ iteration 89: trace = 6.728717031586748 (5.58172e-06% change)
linmin: converged after 3 iterations.
- iteration 86: trace = 6.728719151518812 (6.46466e-06% change)
+ iteration 90: trace = 6.728716494221418 (7.98615e-06% change)
+ linmin: converged after 15 iterations.
+ iteration 91: trace = 6.728716173520308 (4.76616e-06% change)
linmin: converged after 3 iterations.
- iteration 87: trace = 6.72871833949697 (1.2068e-05% change)
- linmin: converged after 6 iterations.
- iteration 88: trace = 6.728717407324229 (1.38536e-05% change)
- linmin: converged after 5 iterations.
- iteration 89: trace = 6.728717032618706 (5.56875e-06% change)
+ iteration 92: trace = 6.728715871447425 (4.48931e-06% change)
linmin: converged after 3 iterations.
- iteration 90: trace = 6.728716493470611 (8.01264e-06% change)
+ iteration 93: trace = 6.728715607440366 (3.92359e-06% change)
+ large trace change predicted (1.12189e-05%)
linmin: converged after 4 iterations.
- iteration 91: trace = 6.728716172922691 (4.76388e-06% change)
- linmin: converged after 4 iterations.
- iteration 92: trace = 6.728715871856371 (4.47435e-06% change)
+ iteration 94: trace = 6.728714852406108 (1.12211e-05% change)
linmin: converged after 3 iterations.
- iteration 93: trace = 6.72871560707104 (3.93515e-06% change)
- large trace change predicted (1.12177e-05%)
- linmin: converged after 5 iterations.
- iteration 94: trace = 6.728714852116745 (1.12199e-05% change)
+ iteration 95: trace = 6.728714141787086 (1.0561e-05% change)
linmin: converged after 3 iterations.
- iteration 95: trace = 6.728714141926561 (1.05546e-05% change)
+ iteration 96: trace = 6.728713790147111 (5.22596e-06% change)
linmin: converged after 4 iterations.
- iteration 96: trace = 6.728713790469254 (5.22325e-06% change)
- linmin: converged after 7 iterations.
- iteration 97: trace = 6.728713564086949 (3.36442e-06% change)
- linmin: converged after 3 iterations.
- iteration 98: trace = 6.728713374544717 (2.81692e-06% change)
+ iteration 97: trace = 6.728713564338646 (3.35589e-06% change)
+ linmin: converged after 4 iterations.
+ iteration 98: trace = 6.728713374813461 (2.81666e-06% change)
linmin: converged after 3 iterations.
- iteration 99: trace = 6.72871315826111 (3.21434e-06% change)
+ iteration 99: trace = 6.728713158583984 (3.21353e-06% change)
+ linmin: converged after 8 iterations.
+ iteration 100: trace = 6.728713034371206 (1.84601e-06% change)
+ large trace change predicted (4.58519e-06%)
linmin: converged after 4 iterations.
- iteration 100: trace = 6.728713034157771 (1.84438e-06% change)
- large trace change predicted (4.57983e-06%)
- linmin: converged after 9 iterations.
- iteration 101: trace = 6.728712725995033 (4.57982e-06% change)
+ iteration 101: trace = 6.728712725847025 (4.58519e-06% change)
linmin: converged after 2 iterations.
- iteration 102: trace = 6.728712544574786 (2.69621e-06% change)
- linmin: converged after 3 iterations.
- iteration 103: trace = 6.728712456539248 (1.30836e-06% change)
- linmin: converged after 19 iterations.
- iteration 104: trace = 6.728712395320428 (9.09815e-07% change)
- linmin: converged after 5 iterations.
- iteration 105: trace = 6.728712336808206 (8.6959e-07% change)
- linmin: converged after 5 iterations.
- iteration 106: trace = 6.728712234630183 (1.51854e-06% change)
+ iteration 102: trace = 6.728712543886957 (2.70423e-06% change)
+ linmin: converged after 6 iterations.
+ iteration 103: trace = 6.728712456692896 (1.29585e-06% change)
+ linmin: converged after 2 iterations.
+ iteration 104: trace = 6.72871239495213 (9.17572e-07% change)
linmin: converged after 5 iterations.
- iteration 107: trace = 6.728712175439821 (8.79669e-07% change)
+ iteration 105: trace = 6.728712336779145 (8.64549e-07% change)
+ linmin: converged after 4 iterations.
+ iteration 106: trace = 6.728712234119468 (1.5257e-06% change)
+ linmin: converged after 3 iterations.
+ iteration 107: trace = 6.728712175230691 (8.75186e-07% change)
linmin: converged after 5 iterations.
- iteration 108: trace = 6.728712079397628 (1.42735e-06% change)
- linmin: converged after 9 iterations.
- iteration 109: trace = 6.728712038543444 (6.07162e-07% change)
+ iteration 108: trace = 6.728712078390714 (1.43921e-06% change)
linmin: converged after 2 iterations.
- iteration 110: trace = 6.728712017201673 (3.17175e-07% change)
+ iteration 109: trace = 6.728712037088355 (6.13823e-07% change)
linmin: converged after 4 iterations.
- iteration 111: trace = 6.728711999264673 (2.66574e-07% change)
- linmin: converged after 5 iterations.
- iteration 112: trace = 6.728711988069817 (1.66374e-07% change)
- large trace change predicted (5.38226e-07%)
+ iteration 110: trace = 6.728712016997982 (2.98577e-07% change)
+ linmin: converged after 2 iterations.
+ iteration 111: trace = 6.7287119995814 (2.5884e-07% change)
linmin: converged after 5 iterations.
- iteration 113: trace = 6.728711951855484 (5.38206e-07% change)
- linmin: converged after 4 iterations.
- iteration 114: trace = 6.728711933632973 (2.70817e-07% change)
- linmin: converged after 4 iterations.
- iteration 115: trace = 6.728711913488169 (2.99386e-07% change)
+ iteration 112: trace = 6.728711988167984 (1.69623e-07% change)
+ large trace change predicted (5.45653e-07%)
linmin: converged after 7 iterations.
- iteration 116: trace = 6.72871190080688 (1.88465e-07% change)
+ iteration 113: trace = 6.728711951454009 (5.45632e-07% change)
linmin: converged after 7 iterations.
- iteration 117: trace = 6.728711891984315 (1.31118e-07% change)
- linmin: converged after 3 iterations.
- iteration 118: trace = 6.728711886212583 (8.57777e-08% change)
+ iteration 114: trace = 6.728711933875413 (2.61248e-07% change)
linmin: converged after 4 iterations.
- iteration 119: trace = 6.728711875102345 (1.65117e-07% change)
- linmin: converged after 19 iterations.
- iteration 120: trace = 6.72871186065501 (2.14712e-07% change)
- linmin: converged after 8 iterations.
- iteration 121: trace = 6.728711851906814 (1.30013e-07% change)
+ iteration 115: trace = 6.728711912633354 (3.15693e-07% change)
+ linmin: converged after 6 iterations.
+ iteration 116: trace = 6.72871190060396 (1.78777e-07% change)
+ linmin: converged after 11 iterations.
+ iteration 117: trace = 6.728711892210939 (1.24734e-07% change)
linmin: converged after 4 iterations.
- iteration 122: trace = 6.728711845976211 (8.81388e-08% change)
+ iteration 118: trace = 6.728711886442328 (8.57313e-08% change)
linmin: converged after 4 iterations.
- iteration 123: trace = 6.728711840102187 (8.72979e-08% change)
- linmin: converged after 3 iterations.
- iteration 124: trace = 6.728711834480055 (8.35544e-08% change)
+ iteration 119: trace = 6.72871187512406 (1.68209e-07% change)
+ linmin: converged after 9 iterations.
+ iteration 120: trace = 6.72871186029251 (2.20422e-07% change)
+ linmin: converged after 5 iterations.
+ iteration 121: trace = 6.728711852295838 (1.18844e-07% change)
+ linmin: converged after 6 iterations.
+ iteration 122: trace = 6.72871184597498 (9.39386e-08% change)
linmin: converged after 4 iterations.
- iteration 125: trace = 6.728711831284315 (4.74941e-08% change)
- large trace change predicted (1.17261e-07%)
+ iteration 123: trace = 6.728711840446691 (8.21597e-08% change)
linmin: converged after 3 iterations.
- iteration 126: trace = 6.728711823394237 (1.1726e-07% change)
- linmin: converged after 3 iterations.
- iteration 127: trace = 6.728711817715899 (8.43897e-08% change)
- linmin: converged after 3 iterations.
- iteration 128: trace = 6.728711814545341 (4.71198e-08% change)
+ iteration 124: trace = 6.728711834879699 (8.27349e-08% change)
+ linmin: converged after 16 iterations.
+ iteration 125: trace = 6.728711831685318 (4.74739e-08% change)
+ large trace change predicted (1.16554e-07%)
linmin: converged after 4 iterations.
- iteration 129: trace = 6.728711812179677 (3.51578e-08% change)
- large trace change predicted (8.43572e-08%)
+ iteration 126: trace = 6.728711823842804 (1.16553e-07% change)
+ linmin: converged after 15 iterations.
+ iteration 127: trace = 6.728711818234581 (8.33477e-08% change)
+ linmin: converged after 3 iterations.
+ iteration 128: trace = 6.728711815038084 (4.75053e-08% change)
linmin: converged after 4 iterations.
- iteration 130: trace = 6.728711806503583 (8.43563e-08% change)
- large trace change predicted (2.30065e-07%)
+ iteration 129: trace = 6.728711812692525 (3.4859e-08% change)
+ large trace change predicted (8.41082e-08%)
+ linmin: converged after 7 iterations.
+ iteration 130: trace = 6.728711807033185 (8.41073e-08% change)
+ large trace change predicted (2.27277e-07%)
+ linmin: converged after 10 iterations.
+ iteration 131: trace = 6.728711791741209 (2.27265e-07% change)
linmin: converged after 5 iterations.
- iteration 131: trace = 6.728711791024086 (2.30051e-07% change)
- linmin: converged after 13 iterations.
- iteration 132: trace = 6.728711774592464 (2.44202e-07% change)
+ iteration 132: trace = 6.728711775495807 (2.41434e-07% change)
+ linmin: converged after 25 iterations.
+ iteration 133: trace = 6.728711762219022 (1.97315e-07% change)
linmin: converged after 6 iterations.
- iteration 133: trace = 6.728711761313651 (1.97346e-07% change)
- linmin: converged after 15 iterations.
- iteration 134: trace = 6.728711750477235 (1.61047e-07% change)
- large trace change predicted (4.61682e-07%)
- linmin: converged after 4 iterations.
- iteration 135: trace = 6.728711719412686 (4.61672e-07% change)
- large trace change predicted (9.46138e-07%)
- linmin: converged after 3 iterations.
- iteration 136: trace = 6.728711655745908 (9.46196e-07% change)
- large trace change predicted (2.05255e-06%)
+ iteration 134: trace = 6.728711751589044 (1.57979e-07% change)
+ large trace change predicted (4.56093e-07%)
+ linmin: converged after 5 iterations.
+ iteration 135: trace = 6.72871172090052 (4.56083e-07% change)
+ large trace change predicted (9.31706e-07%)
+ linmin: converged after 2 iterations.
+ iteration 136: trace = 6.728711658205238 (9.31758e-07% change)
+ large trace change predicted (2.00472e-06%)
linmin: converged after 4 iterations.
- iteration 137: trace = 6.72871151760072 (2.05307e-06% change)
+ iteration 137: trace = 6.728711523280785 (2.0052e-06% change)
near maximum in trace
- linmin: converged after 12 iterations.
- iteration 138: trace = 6.728455612532036 (0.00380325% change)
+ linmin: converged after 16 iterations.
+ iteration 138: trace = 6.728496963236752 (0.00318877% change)
linmin: converged after 5 iterations.
- iteration 139: trace = 6.72845477912518 (1.23863e-05% change)
+ iteration 139: trace = 6.72849605229283 (1.35386e-05% change)
resetting CG direction...
- large trace change predicted (0.0189297%)
- linmin: converged after 5 iterations.
- iteration 140: trace = 6.727182327111736 (0.0189133% change)
- linmin: converged after 4 iterations.
- iteration 141: trace = 6.726299471168846 (0.0131246% change)
+ large trace change predicted (0.0179181%)
linmin: converged after 3 iterations.
- iteration 142: trace = 6.725635969876103 (0.00986477% change)
+ iteration 140: trace = 6.72729169319085 (0.017901% change)
+ linmin: converged after 4 iterations.
+ iteration 141: trace = 6.726483360322989 (0.0120164% change)
+ linmin: converged after 4 iterations.
+ iteration 142: trace = 6.725829893003075 (0.00971532% change)
linmin: converged after 5 iterations.
- iteration 143: trace = 6.724685377187572 (0.0141349% change)
+ iteration 143: trace = 6.72493366907636 (0.013326% change)
linmin: converged after 5 iterations.
- iteration 144: trace = 6.724133330083055 (0.0082096% change)
- large trace change predicted (0.0171562%)
+ iteration 144: trace = 6.724434967696377 (0.00741598% change)
+ large trace change predicted (0.0162821%)
linmin: converged after 3 iterations.
- iteration 145: trace = 6.722973794892795 (0.0172459% change)
+ iteration 145: trace = 6.723335551737554 (0.0163509% change)
linmin: converged after 3 iterations.
- iteration 146: trace = 6.721485621133838 (0.0221381% change)
+ iteration 146: trace = 6.721936913540786 (0.0208049% change)
linmin: converged after 3 iterations.
- iteration 147: trace = 6.720346345352626 (0.0169512% change)
+ iteration 147: trace = 6.720860007019335 (0.0160221% change)
linmin: converged after 4 iterations.
- iteration 148: trace = 6.719989858993058 (0.00530472% change)
+ iteration 148: trace = 6.720516129114879 (0.00511671% change)
linmin: converged after 3 iterations.
- iteration 149: trace = 6.719510680923915 (0.00713089% change)
+ iteration 149: trace = 6.72005961410648 (0.00679309% change)
linmin: converged after 3 iterations.
- iteration 150: trace = 6.718980140174779 (0.00789584% change)
+ iteration 150: trace = 6.719567695781137 (0.00732042% change)
linmin: converged after 4 iterations.
- iteration 151: trace = 6.718449806680475 (0.00789338% change)
+ iteration 151: trace = 6.719097667685411 (0.00699516% change)
linmin: converged after 4 iterations.
- iteration 152: trace = 6.71772606218937 (0.0107731% change)
- linmin: converged after 5 iterations.
- iteration 153: trace = 6.717054313408507 (0.0100001% change)
+ iteration 152: trace = 6.718389091966365 (0.0105463% change)
linmin: converged after 4 iterations.
- iteration 154: trace = 6.716295237212367 (0.0113014% change)
- linmin: converged after 3 iterations.
- iteration 155: trace = 6.715943111232894 (0.005243% change)
- large trace change predicted (0.0125295%)
+ iteration 153: trace = 6.717747685615805 (0.00954748% change)
linmin: converged after 4 iterations.
- iteration 156: trace = 6.715108776941975 (0.012424% change)
+ iteration 154: trace = 6.717003451646676 (0.0110792% change)
linmin: converged after 4 iterations.
- iteration 157: trace = 6.71423638836867 (0.0129923% change)
+ iteration 155: trace = 6.716649535030269 (0.0052691% change)
+ large trace change predicted (0.0112011%)
linmin: converged after 4 iterations.
- iteration 158: trace = 6.713503133059845 (0.0109215% change)
- large trace change predicted (0.0266079%)
+ iteration 156: trace = 6.715900341724358 (0.0111549% change)
linmin: converged after 4 iterations.
- iteration 159: trace = 6.711719331567473 (0.0265739% change)
- linmin: converged after 7 iterations.
- iteration 160: trace = 6.709706481994446 (0.0299946% change)
+ iteration 157: trace = 6.715057636495906 (0.0125487% change)
+ linmin: converged after 3 iterations.
+ iteration 158: trace = 6.714368047421658 (0.0102698% change)
+ large trace change predicted (0.0232645%)
linmin: converged after 4 iterations.
- iteration 161: trace = 6.70766899384598 (0.0303709% change)
+ iteration 159: trace = 6.712809993748582 (0.0232075% change)
+ linmin: converged after 5 iterations.
+ iteration 160: trace = 6.710891996861516 (0.0285763% change)
linmin: converged after 4 iterations.
- iteration 162: trace = 6.706395647362942 (0.0189852% change)
+ iteration 161: trace = 6.708745816543308 (0.0319857% change)
linmin: converged after 4 iterations.
- iteration 163: trace = 6.704098646677664 (0.0342568% change)
+ iteration 162: trace = 6.70758660581581 (0.0172806% change)
linmin: converged after 4 iterations.
- iteration 164: trace = 6.702528235233215 (0.0234274% change)
- large trace change predicted (0.0528153%)
- linmin: converged after 5 iterations.
- iteration 165: trace = 6.699094220494626 (0.0512477% change)
- linmin: converged after 5 iterations.
- iteration 166: trace = 6.69528242497002 (0.0569164% change)
- linmin: converged after 6 iterations.
- iteration 167: trace = 6.691348642452727 (0.0587718% change)
- linmin: converged after 6 iterations.
- iteration 168: trace = 6.687719621241007 (0.0542492% change)
+ iteration 163: trace = 6.705379527826505 (0.0329096% change)
linmin: converged after 4 iterations.
- iteration 169: trace = 6.685739983493502 (0.0296055% change)
+ iteration 164: trace = 6.703497346238292 (0.0280737% change)
+ linmin: converged after 4 iterations.
+ iteration 165: trace = 6.700595878303398 (0.0432923% change)
+ linmin: converged after 9 iterations.
+ iteration 166: trace = 6.696527313068026 (0.0607379% change)
+ linmin: converged after 5 iterations.
+ iteration 167: trace = 6.69268119447419 (0.057451% change)
+ linmin: converged after 7 iterations.
+ iteration 168: trace = 6.688677049552969 (0.0598466% change)
linmin: converged after 3 iterations.
- iteration 170: trace = 6.684455635028102 (0.0192121% change)
+ iteration 169: trace = 6.686942732733815 (0.0259325% change)
linmin: converged after 3 iterations.
- iteration 171: trace = 6.682974133859655 (0.0221658% change)
+ iteration 170: trace = 6.685518855776348 (0.0212957% change)
linmin: converged after 3 iterations.
- iteration 172: trace = 6.681940912528768 (0.0154617% change)
- linmin: converged after 5 iterations.
- iteration 173: trace = 6.681084770560249 (0.0128136% change)
+ iteration 171: trace = 6.684005705162724 (0.0226358% change)
+ linmin: converged after 3 iterations.
+ iteration 172: trace = 6.683055585550433 (0.0142158% change)
linmin: converged after 4 iterations.
- iteration 174: trace = 6.67970035422904 (0.0207236% change)
+ iteration 173: trace = 6.682077250719044 (0.0146401% change)
linmin: converged after 4 iterations.
- iteration 175: trace = 6.678201073651787 (0.0224478% change)
+ iteration 174: trace = 6.680706089298033 (0.0205221% change)
linmin: converged after 4 iterations.
- iteration 176: trace = 6.676815853159746 (0.0207446% change)
+ iteration 175: trace = 6.679288876253398 (0.0212158% change)
linmin: converged after 4 iterations.
- iteration 177: trace = 6.674980260576841 (0.0274958% change)
+ iteration 176: trace = 6.67769860474827 (0.0238118% change)
linmin: converged after 4 iterations.
- iteration 178: trace = 6.673011495981964 (0.029499% change)
+ iteration 177: trace = 6.675983319281102 (0.0256901% change)
linmin: converged after 4 iterations.
- iteration 179: trace = 6.671101800743234 (0.0286223% change)
+ iteration 178: trace = 6.674070448935363 (0.0286571% change)
+ linmin: converged after 5 iterations.
+ iteration 179: trace = 6.671905339047649 (0.0324459% change)
linmin: converged after 4 iterations.
- iteration 180: trace = 6.669499722953774 (0.0240181% change)
+ iteration 180: trace = 6.670433407164131 (0.0220641% change)
linmin: converged after 4 iterations.
- iteration 181: trace = 6.668410911847893 (0.0163266% change)
+ iteration 181: trace = 6.669409020171365 (0.0153583% change)
linmin: converged after 4 iterations.
- iteration 182: trace = 6.667342381864346 (0.016025% change)
+ iteration 182: trace = 6.668180561876174 (0.018421% change)
linmin: converged after 4 iterations.
- iteration 183: trace = 6.666216424602033 (0.0168891% change)
+ iteration 183: trace = 6.667087337699036 (0.016396% change)
linmin: converged after 4 iterations.
- iteration 184: trace = 6.665554827706494 (0.00992512% change)
- linmin: converged after 3 iterations.
- iteration 185: trace = 6.665106293874628 (0.00672936% change)
+ iteration 184: trace = 6.666481287171367 (0.0090906% change)
linmin: converged after 4 iterations.
- iteration 186: trace = 6.664528835344536 (0.00866428% change)
+ iteration 185: trace = 6.665969009287798 (0.00768468% change)
linmin: converged after 4 iterations.
- iteration 187: trace = 6.663957288068281 (0.00857633% change)
+ iteration 186: trace = 6.665376381456404 (0.00889074% change)
linmin: converged after 3 iterations.
- iteration 188: trace = 6.663542183959137 (0.00622929% change)
+ iteration 187: trace = 6.664850263268718 (0.00789361% change)
linmin: converged after 3 iterations.
- iteration 189: trace = 6.663082759104757 (0.00689484% change)
+ iteration 188: trace = 6.664377217486245 (0.00709787% change)
linmin: converged after 4 iterations.
- iteration 190: trace = 6.662460864341498 (0.00933387% change)
+ iteration 189: trace = 6.663879358752522 (0.00747073% change)
+ linmin: converged after 5 iterations.
+ iteration 190: trace = 6.663329858957248 (0.00824628% change)
linmin: converged after 4 iterations.
- iteration 191: trace = 6.661699427146337 (0.0114294% change)
+ iteration 191: trace = 6.662526578960382 (0.012056% change)
linmin: converged after 4 iterations.
- iteration 192: trace = 6.660790647771726 (0.0136428% change)
+ iteration 192: trace = 6.661487939743962 (0.0155905% change)
linmin: converged after 4 iterations.
- iteration 193: trace = 6.660009515564351 (0.011728% change)
- linmin: converged after 3 iterations.
- iteration 194: trace = 6.659479416569215 (0.00795975% change)
- linmin: converged after 3 iterations.
- iteration 195: trace = 6.658939745613951 (0.00810413% change)
- linmin: converged after 5 iterations.
- iteration 196: trace = 6.658371335571489 (0.00853641% change)
- linmin: converged after 3 iterations.
- iteration 197: trace = 6.658028192771436 (0.00515369% change)
+ iteration 193: trace = 6.660741482372119 (0.0112062% change)
+ linmin: converged after 4 iterations.
+ iteration 194: trace = 6.660214767360173 (0.00790807% change)
+ linmin: converged after 4 iterations.
+ iteration 195: trace = 6.65959843248577 (0.00925441% change)
linmin: converged after 3 iterations.
- iteration 198: trace = 6.65780389832038 (0.00336884% change)
+ iteration 196: trace = 6.659013590820788 (0.00878232% change)
linmin: converged after 3 iterations.
- iteration 199: trace = 6.657527938522096 (0.00414499% change)
+ iteration 197: trace = 6.658670540881428 (0.0051518% change)
linmin: converged after 3 iterations.
- iteration 200: trace = 6.657210110490546 (0.00477408% change)
+ iteration 198: trace = 6.65841493196519 (0.00383881% change)
linmin: converged after 3 iterations.
- iteration 201: trace = 6.656939773203598 (0.0040609% change)
+ iteration 199: trace = 6.658130065745863 (0.00427838% change)
linmin: converged after 3 iterations.
- iteration 202: trace = 6.65663275280087 (0.00461214% change)
+ iteration 200: trace = 6.657842009810334 (0.00432647% change)
linmin: converged after 4 iterations.
- iteration 203: trace = 6.656220181129199 (0.0061981% change)
+ iteration 201: trace = 6.657556259711143 (0.00429202% change)
linmin: converged after 3 iterations.
- iteration 204: trace = 6.655787210539536 (0.00650496% change)
+ iteration 202: trace = 6.657216709973985 (0.00510035% change)
+ linmin: converged after 4 iterations.
+ iteration 203: trace = 6.656852095998891 (0.00547712% change)
linmin: converged after 3 iterations.
- iteration 205: trace = 6.655354811029838 (0.00649681% change)
+ iteration 204: trace = 6.656459058615156 (0.00590443% change)
+ linmin: converged after 4 iterations.
+ iteration 205: trace = 6.655958827168101 (0.00751526% change)
linmin: converged after 3 iterations.
- iteration 206: trace = 6.654965899747946 (0.00584376% change)
+ iteration 206: trace = 6.655516807588693 (0.00664118% change)
linmin: converged after 3 iterations.
- iteration 207: trace = 6.654688657768218 (0.00416603% change)
+ iteration 207: trace = 6.655239798139959 (0.00416219% change)
linmin: converged after 3 iterations.
- iteration 208: trace = 6.654418905049741 (0.00405366% change)
+ iteration 208: trace = 6.654966209363305 (0.00411096% change)
linmin: converged after 3 iterations.
- iteration 209: trace = 6.654089275950134 (0.00495366% change)
+ iteration 209: trace = 6.654615756002599 (0.00526618% change)
resetting CG direction...
+ linmin: converged after 3 iterations.
+ iteration 210: trace = 6.653979604991168 (0.00956% change)
linmin: converged after 4 iterations.
- iteration 210: trace = 6.65353050680927 (0.00839773% change)
+ iteration 211: trace = 6.653218593654713 (0.0114376% change)
linmin: converged after 4 iterations.
- iteration 211: trace = 6.652818155630912 (0.0107069% change)
+ iteration 212: trace = 6.652201431611209 (0.0152894% change)
linmin: converged after 4 iterations.
- iteration 212: trace = 6.651859015156793 (0.0144181% change)
+ iteration 213: trace = 6.65147749573334 (0.0108832% change)
linmin: converged after 3 iterations.
- iteration 213: trace = 6.651104171634607 (0.0113485% change)
- linmin: converged after 4 iterations.
- iteration 214: trace = 6.650627750983518 (0.00716329% change)
- large trace change predicted (0.0177726%)
+ iteration 214: trace = 6.650964114119063 (0.00771861% change)
+ large trace change predicted (0.0193546%)
linmin: converged after 3 iterations.
- iteration 215: trace = 6.649437249189945 (0.0179022% change)
+ iteration 215: trace = 6.649666222529873 (0.0195162% change)
linmin: converged after 3 iterations.
- iteration 216: trace = 6.648413225964701 (0.0154013% change)
+ iteration 216: trace = 6.64868042765127 (0.0148258% change)
linmin: converged after 3 iterations.
- iteration 217: trace = 6.647960793560716 (0.00680535% change)
+ iteration 217: trace = 6.648057836496214 (0.00936457% change)
linmin: converged after 3 iterations.
- iteration 218: trace = 6.647543225011817 (0.00628135% change)
+ iteration 218: trace = 6.647743680490572 (0.00472564% change)
linmin: converged after 3 iterations.
- iteration 219: trace = 6.647045240060661 (0.00749154% change)
- linmin: converged after 9 iterations.
- iteration 220: trace = 6.646132649523531 (0.0137302% change)
+ iteration 219: trace = 6.647208628992315 (0.00804894% change)
+ linmin: converged after 3 iterations.
+ iteration 220: trace = 6.646298117029749 (0.0136986% change)
+ linmin: converged after 3 iterations.
+ iteration 221: trace = 6.645599180900577 (0.0105167% change)
+ linmin: converged after 3 iterations.
+ iteration 222: trace = 6.644595576685413 (0.0151029% change)
linmin: converged after 3 iterations.
- iteration 221: trace = 6.645487984623257 (0.00970032% change)
+ iteration 223: trace = 6.644097086546495 (0.00750247% change)
+ linmin: converged after 3 iterations.
+ iteration 224: trace = 6.643772772082394 (0.00488136% change)
linmin: converged after 4 iterations.
- iteration 222: trace = 6.644378773638831 (0.0166926% change)
- linmin: converged after 6 iterations.
- iteration 223: trace = 6.643944767391035 (0.00653214% change)
+ iteration 225: trace = 6.643495814646651 (0.00416876% change)
+ large trace change predicted (0.0106768%)
linmin: converged after 4 iterations.
- iteration 224: trace = 6.643664019338058 (0.00422571% change)
- linmin: converged after 3 iterations.
- iteration 225: trace = 6.64332820593677 (0.00505477% change)
- large trace change predicted (0.0103065%)
+ iteration 226: trace = 6.642785205699263 (0.0106969% change)
linmin: converged after 4 iterations.
- iteration 226: trace = 6.642643324643781 (0.0103098% change)
+ iteration 227: trace = 6.642287015948828 (0.00749999% change)
+ linmin: converged after 5 iterations.
+ iteration 228: trace = 6.64174583793026 (0.0081478% change)
linmin: converged after 4 iterations.
- iteration 227: trace = 6.642051208593299 (0.00891426% change)
+ iteration 229: trace = 6.641208328703908 (0.00809322% change)
linmin: converged after 4 iterations.
- iteration 228: trace = 6.64157854661328 (0.00711646% change)
+ iteration 230: trace = 6.640747751722186 (0.00693538% change)
linmin: converged after 4 iterations.
- iteration 229: trace = 6.641038717103832 (0.00812836% change)
+ iteration 231: trace = 6.640529350610269 (0.00328886% change)
linmin: converged after 4 iterations.
- iteration 230: trace = 6.640707914272707 (0.00498132% change)
- linmin: converged after 3 iterations.
- iteration 231: trace = 6.640453786039423 (0.0038269% change)
- linmin: converged after 5 iterations.
- iteration 232: trace = 6.64016316627796 (0.0043766% change)
+ iteration 232: trace = 6.640209002378969 (0.00482425% change)
linmin: converged after 4 iterations.
- iteration 233: trace = 6.639743713274357 (0.00631711% change)
+ iteration 233: trace = 6.639843694588195 (0.0055016% change)
linmin: converged after 5 iterations.
- iteration 234: trace = 6.639544583635618 (0.0029991% change)
+ iteration 234: trace = 6.639595338447476 (0.00374046% change)
linmin: converged after 4 iterations.
- iteration 235: trace = 6.639282699782756 (0.00394438% change)
+ iteration 235: trace = 6.639337712689807 (0.00388022% change)
linmin: converged after 4 iterations.
- iteration 236: trace = 6.639199970545302 (0.00124606% change)
- linmin: converged after 3 iterations.
- iteration 237: trace = 6.639142258329993 (0.000869268% change)
- linmin: converged after 3 iterations.
- iteration 238: trace = 6.639077815760677 (0.000970651% change)
+ iteration 236: trace = 6.639222719883426 (0.00173201% change)
linmin: converged after 3 iterations.
- iteration 239: trace = 6.63900571480012 (0.00108601% change)
+ iteration 237: trace = 6.639165809398814 (0.00085719% change)
linmin: converged after 3 iterations.
- iteration 240: trace = 6.638961920800485 (0.000659649% change)
+ iteration 238: trace = 6.639089694226782 (0.00114646% change)
linmin: converged after 4 iterations.
- iteration 241: trace = 6.638889265379303 (0.00109439% change)
- linmin: converged after 9 iterations.
- iteration 242: trace = 6.638839156673328 (0.000754778% change)
- linmin: converged after 6 iterations.
- iteration 243: trace = 6.638817271016363 (0.000329661% change)
+ iteration 239: trace = 6.639015513604635 (0.00111734% change)
linmin: converged after 4 iterations.
- iteration 244: trace = 6.638804458011224 (0.000193002% change)
+ iteration 240: trace = 6.638972352133721 (0.000650121% change)
linmin: converged after 7 iterations.
- iteration 245: trace = 6.63879256208756 (0.000179188% change)
+ iteration 241: trace = 6.638902462342726 (0.00105273% change)
linmin: converged after 5 iterations.
- iteration 246: trace = 6.638785642117927 (0.000104235% change)
- linmin: converged after 4 iterations.
- iteration 247: trace = 6.638774357143365 (0.000169986% change)
- linmin: converged after 4 iterations.
- iteration 248: trace = 6.638762419902748 (0.000179811% change)
+ iteration 242: trace = 6.638846994028447 (0.000835508% change)
+ linmin: converged after 7 iterations.
+ iteration 243: trace = 6.638819500466276 (0.000414132% change)
linmin: converged after 3 iterations.
- iteration 249: trace = 6.638756892922508 (8.32532e-05% change)
- linmin: converged after 5 iterations.
- iteration 250: trace = 6.638752819643989 (6.13561e-05% change)
+ iteration 244: trace = 6.63880608064523 (0.000202142% change)
linmin: converged after 3 iterations.
- iteration 251: trace = 6.63874927416594 (5.34058e-05% change)
+ iteration 245: trace = 6.638792717858658 (0.000201283% change)
linmin: converged after 4 iterations.
- iteration 252: trace = 6.638747235213456 (3.07129e-05% change)
+ iteration 246: trace = 6.638786869744692 (8.80901e-05% change)
+ large trace change predicted (0.000180012%)
linmin: converged after 3 iterations.
- iteration 253: trace = 6.63874557978159 (2.49359e-05% change)
- linmin: converged after 5 iterations.
- iteration 254: trace = 6.638743011193025 (3.86909e-05% change)
- linmin: converged after 6 iterations.
- iteration 255: trace = 6.638741044421006 (2.96257e-05% change)
- linmin: converged after 6 iterations.
- iteration 256: trace = 6.638739280427623 (2.65712e-05% change)
- linmin: converged after 4 iterations.
- iteration 257: trace = 6.638738498218535 (1.17825e-05% change)
+ iteration 247: trace = 6.638774923260716 (0.00017995% change)
linmin: converged after 3 iterations.
- iteration 258: trace = 6.638737828200221 (1.00926e-05% change)
- linmin: converged after 4 iterations.
- iteration 259: trace = 6.638737464213616 (5.48277e-06% change)
- large trace change predicted (1.11011e-05%)
+ iteration 248: trace = 6.638764420528742 (0.000158203% change)
linmin: converged after 3 iterations.
- iteration 260: trace = 6.638736727271766 (1.11006e-05% change)
+ iteration 249: trace = 6.638757353489586 (0.000106451% change)
+ linmin: converged after 4 iterations.
+ iteration 250: trace = 6.638753655777196 (5.56989e-05% change)
linmin: converged after 3 iterations.
- iteration 261: trace = 6.638736181512872 (8.22082e-06% change)
+ iteration 251: trace = 6.638749452632469 (6.33123e-05% change)
linmin: converged after 4 iterations.
- iteration 262: trace = 6.638735682437151 (7.51763e-06% change)
- linmin: converged after 2 iterations.
- iteration 263: trace = 6.638735297469644 (5.79881e-06% change)
+ iteration 252: trace = 6.63874762843966 (2.7478e-05% change)
+ linmin: converged after 5 iterations.
+ iteration 253: trace = 6.638745770381474 (2.79881e-05% change)
linmin: converged after 4 iterations.
- iteration 264: trace = 6.638735062412199 (3.5407e-06% change)
+ iteration 254: trace = 6.638743654139198 (3.18771e-05% change)
linmin: converged after 4 iterations.
- iteration 265: trace = 6.638734959978824 (1.54297e-06% change)
- linmin: converged after 11 iterations.
- iteration 266: trace = 6.638734784019256 (2.6505e-06% change)
- linmin: converged after 6 iterations.
- iteration 267: trace = 6.638734592568151 (2.88385e-06% change)
- linmin: converged after 13 iterations.
- iteration 268: trace = 6.638734439874332 (2.30004e-06% change)
- linmin: converged after 4 iterations.
- iteration 269: trace = 6.638734297757939 (2.14072e-06% change)
+ iteration 255: trace = 6.638741350734973 (3.46964e-05% change)
linmin: converged after 4 iterations.
- iteration 270: trace = 6.638734209238205 (1.33338e-06% change)
- linmin: converged after 22 iterations.
- iteration 271: trace = 6.638734172736284 (5.49833e-07% change)
+ iteration 256: trace = 6.638739804709138 (2.32879e-05% change)
linmin: converged after 5 iterations.
- iteration 272: trace = 6.638734126806183 (6.9185e-07% change)
- linmin: converged after 6 iterations.
- iteration 273: trace = 6.638734049139085 (1.16991e-06% change)
+ iteration 257: trace = 6.638738669251487 (1.71035e-05% change)
+ linmin: converged after 5 iterations.
+ iteration 258: trace = 6.638737995315019 (1.01516e-05% change)
linmin: converged after 6 iterations.
- iteration 274: trace = 6.638733996458739 (7.9353e-07% change)
- linmin: converged after 17 iterations.
- iteration 275: trace = 6.638733928256021 (1.02735e-06% change)
- linmin: converged after 8 iterations.
- iteration 276: trace = 6.638733864854569 (9.55023e-07% change)
+ iteration 259: trace = 6.63873760814984 (5.83191e-06% change)
+ linmin: converged after 4 iterations.
+ iteration 260: trace = 6.638736975731822 (9.52618e-06% change)
+ linmin: converged after 3 iterations.
+ iteration 261: trace = 6.638736294176336 (1.02663e-05% change)
linmin: converged after 5 iterations.
- iteration 277: trace = 6.638733827572725 (5.61581e-07% change)
- linmin: converged after 11 iterations.
- iteration 278: trace = 6.638733802915664 (3.71412e-07% change)
- linmin: converged after 7 iterations.
- iteration 279: trace = 6.638733768579168 (5.17215e-07% change)
- resetting CG direction...
+ iteration 262: trace = 6.638735839151034 (6.8541e-06% change)
linmin: converged after 5 iterations.
- iteration 280: trace = 6.638733756338033 (1.8439e-07% change)
- linmin: converged after 3 iterations.
- iteration 281: trace = 6.638733742254126 (2.12147e-07% change)
+ iteration 263: trace = 6.638735345491657 (7.43605e-06% change)
linmin: converged after 3 iterations.
- iteration 282: trace = 6.638733724900183 (2.61404e-07% change)
- linmin: converged after 8 iterations.
- iteration 283: trace = 6.638733705213524 (2.96542e-07% change)
+ iteration 264: trace = 6.638735094546482 (3.78001e-06% change)
+ linmin: converged after 20 iterations.
+ iteration 265: trace = 6.638734983224069 (1.67686e-06% change)
+ linmin: converged after 5 iterations.
+ iteration 266: trace = 6.638734801873257 (2.73171e-06% change)
linmin: converged after 4 iterations.
- iteration 284: trace = 6.638733691658619 (2.04179e-07% change)
+ iteration 267: trace = 6.638734654017373 (2.22717e-06% change)
linmin: converged after 5 iterations.
- iteration 285: trace = 6.638733669490968 (3.33914e-07% change)
+ iteration 268: trace = 6.638734484498977 (2.55347e-06% change)
linmin: converged after 7 iterations.
- iteration 286: trace = 6.638733650986479 (2.78735e-07% change)
+ iteration 269: trace = 6.638734332130647 (2.29514e-06% change)
+ linmin: converged after 7 iterations.
+ iteration 270: trace = 6.63873420457886 (1.92133e-06% change)
linmin: converged after 4 iterations.
- iteration 287: trace = 6.638733642951382 (1.21034e-07% change)
- linmin: converged after 18 iterations.
- iteration 288: trace = 6.638733629612545 (2.00924e-07% change)
- linmin: converged after 10 iterations.
- iteration 289: trace = 6.638733611583582 (2.71572e-07% change)
- linmin: converged after 10 iterations.
- iteration 290: trace = 6.638733588865441 (3.42206e-07% change)
+ iteration 271: trace = 6.638734170222909 (5.17508e-07% change)
+ linmin: converged after 7 iterations.
+ iteration 272: trace = 6.638734116756808 (8.05366e-07% change)
linmin: converged after 5 iterations.
- iteration 291: trace = 6.638733574592166 (2.15e-07% change)
- linmin: converged after 21 iterations.
- iteration 292: trace = 6.63873355337761 (3.19557e-07% change)
+ iteration 273: trace = 6.638734058698566 (8.74538e-07% change)
+ linmin: converged after 5 iterations.
+ iteration 274: trace = 6.63873399546925 (9.5243e-07% change)
linmin: converged after 4 iterations.
- iteration 293: trace = 6.638733545016619 (1.25943e-07% change)
- linmin: converged after 2 iterations.
- iteration 294: trace = 6.638733539502492 (8.30599e-08% change)
+ iteration 275: trace = 6.638733932248243 (9.52305e-07% change)
+ linmin: converged after 5 iterations.
+ iteration 276: trace = 6.638733852553821 (1.20045e-06% change)
linmin: converged after 4 iterations.
- iteration 295: trace = 6.638733533293647 (9.35245e-08% change)
- linmin: converged after 9 iterations.
- iteration 296: trace = 6.6387335213748 (1.79535e-07% change)
+ iteration 277: trace = 6.63873382391973 (4.31319e-07% change)
+ linmin: converged after 5 iterations.
+ iteration 278: trace = 6.638733792293237 (4.76393e-07% change)
+ linmin: converged after 5 iterations.
+ iteration 279: trace = 6.638733763512676 (4.33525e-07% change)
+ resetting CG direction...
+ linmin: converged after 16 iterations.
+ iteration 280: trace = 6.638733752107141 (1.71803e-07% change)
linmin: converged after 4 iterations.
- iteration 297: trace = 6.638733507025406 (2.16147e-07% change)
+ iteration 281: trace = 6.63873373936176 (1.91985e-07% change)
linmin: converged after 5 iterations.
- iteration 298: trace = 6.638733498379596 (1.30233e-07% change)
+ iteration 282: trace = 6.638733721252703 (2.72779e-07% change)
+ linmin: converged after 4 iterations.
+ iteration 283: trace = 6.638733697470379 (3.58236e-07% change)
+ linmin: converged after 4 iterations.
+ iteration 284: trace = 6.638733685366086 (1.82328e-07% change)
+ linmin: converged after 4 iterations.
+ iteration 285: trace = 6.638733662926075 (3.38016e-07% change)
+ linmin: converged after 4 iterations.
+ iteration 286: trace = 6.638733649275423 (2.05621e-07% change)
linmin: converged after 5 iterations.
- iteration 299: trace = 6.638733494484282 (5.86756e-08% change)
- linmin: converged after 13 iterations.
- iteration 300: trace = 6.638733490927248 (5.358e-08% change)
- linmin: converged after 7 iterations.
- iteration 301: trace = 6.638733485200473 (8.62631e-08% change)
- linmin: converged after 6 iterations.
- iteration 302: trace = 6.638733476865669 (1.25548e-07% change)
+ iteration 287: trace = 6.638733639159769 (1.52373e-07% change)
linmin: converged after 4 iterations.
- iteration 303: trace = 6.638733473190711 (5.53563e-08% change)
+ iteration 288: trace = 6.638733628871877 (1.54968e-07% change)
+ large trace change predicted (3.97332e-07%)
+ linmin: converged after 5 iterations.
+ iteration 289: trace = 6.638733602494101 (3.97331e-07% change)
+ linmin: converged after 8 iterations.
+ iteration 290: trace = 6.638733579895577 (3.40404e-07% change)
linmin: converged after 4 iterations.
- iteration 304: trace = 6.638733468883077 (6.48864e-08% change)
+ iteration 291: trace = 6.63873356599051 (2.09454e-07% change)
linmin: converged after 7 iterations.
- iteration 305: trace = 6.638733466908565 (2.97423e-08% change)
+ iteration 292: trace = 6.638733550713064 (2.30126e-07% change)
linmin: converged after 4 iterations.
- iteration 306: trace = 6.638733465375948 (2.3086e-08% change)
+ iteration 293: trace = 6.638733543728417 (1.05211e-07% change)
+ linmin: converged after 4 iterations.
+ iteration 294: trace = 6.638733537913732 (8.75873e-08% change)
linmin: converged after 14 iterations.
- iteration 307: trace = 6.638733464134324 (1.87027e-08% change)
+ iteration 295: trace = 6.638733531219156 (1.00841e-07% change)
+ large trace change predicted (2.23511e-07%)
+ linmin: converged after 10 iterations.
+ iteration 296: trace = 6.638733516381063 (2.23508e-07% change)
linmin: converged after 4 iterations.
- iteration 308: trace = 6.638733462306688 (2.75299e-08% change)
+ iteration 297: trace = 6.638733504961065 (1.72021e-07% change)
+ linmin: converged after 13 iterations.
+ iteration 298: trace = 6.638733499170597 (8.72225e-08% change)
+ linmin: converged after 6 iterations.
+ iteration 299: trace = 6.638733494745578 (6.66546e-08% change)
linmin: converged after 4 iterations.
- iteration 309: trace = 6.638733460482195 (2.74826e-08% change)
+ iteration 300: trace = 6.63873349025442 (6.76508e-08% change)
linmin: converged after 4 iterations.
- iteration 310: trace = 6.63873345961143 (1.31164e-08% change)
+ iteration 301: trace = 6.638733483199136 (1.06275e-07% change)
+ linmin: converged after 6 iterations.
+ iteration 302: trace = 6.638733477349042 (8.81206e-08% change)
linmin: converged after 4 iterations.
- iteration 311: trace = 6.638733458642567 (1.45941e-08% change)
+ iteration 303: trace = 6.638733471926166 (8.16854e-08% change)
linmin: converged after 4 iterations.
- iteration 312: trace = 6.638733458134778 (7.64888e-09% change)
- linmin: converged after 5 iterations.
- iteration 313: trace = 6.638733457645783 (7.3658e-09% change)
+ iteration 304: trace = 6.638733468406597 (5.30157e-08% change)
linmin: converged after 4 iterations.
- iteration 314: trace = 6.638733457352856 (4.41239e-09% change)
- linmin: converged after 4 iterations.
- iteration 315: trace = 6.63873345684477 (7.65336e-09% change)
+ iteration 305: trace = 6.638733466630242 (2.67574e-08% change)
+ linmin: converged after 13 iterations.
+ iteration 306: trace = 6.638733465585219 (1.57413e-08% change)
linmin: converged after 5 iterations.
- iteration 316: trace = 6.638733456403953 (6.64008e-09% change)
+ iteration 307: trace = 6.638733463666293 (2.8905e-08% change)
linmin: converged after 4 iterations.
- iteration 317: trace = 6.638733456152282 (3.79094e-09% change)
+ iteration 308: trace = 6.638733461560223 (3.1724e-08% change)
linmin: converged after 4 iterations.
- iteration 318: trace = 6.638733456030275 (1.83781e-09% change)
- linmin: converged after 3 iterations.
- iteration 319: trace = 6.638733455903995 (1.90217e-09% change)
- linmin: converged after 4 iterations.
- iteration 320: trace = 6.638733455817198 (1.30742e-09% change)
+ iteration 309: trace = 6.638733460353873 (1.81714e-08% change)
+ linmin: converged after 7 iterations.
+ iteration 310: trace = 6.638733459372367 (1.47845e-08% change)
+ linmin: converged after 7 iterations.
+ iteration 311: trace = 6.638733458546906 (1.2434e-08% change)
linmin: converged after 4 iterations.
- iteration 321: trace = 6.638733455756419 (9.1552e-10% change)
- linmin: converged after 3 iterations.
- iteration 322: trace = 6.638733455702256 (8.15875e-10% change)
+ iteration 312: trace = 6.638733458034511 (7.71826e-09% change)
+ linmin: converged after 7 iterations.
+ iteration 313: trace = 6.638733457621008 (6.22864e-09% change)
+ linmin: converged after 15 iterations.
+ iteration 314: trace = 6.638733457335751 (4.29686e-09% change)
+ large trace change predicted (1.06967e-08%)
linmin: converged after 5 iterations.
- iteration 323: trace = 6.638733455632201 (1.05525e-09% change)
- linmin: converged after 4 iterations.
- iteration 324: trace = 6.638733455567437 (9.75537e-10% change)
- linmin: converged after 2 iterations.
- iteration 325: trace = 6.638733455543287 (3.63781e-10% change)
- linmin: converged after 3 iterations.
- iteration 326: trace = 6.638733455532377 (1.64331e-10% change)
+ iteration 315: trace = 6.638733456625658 (1.06962e-08% change)
+ linmin: converged after 6 iterations.
+ iteration 316: trace = 6.638733456304072 (4.84408e-09% change)
+ linmin: converged after 15 iterations.
+ iteration 317: trace = 6.638733456122004 (2.74251e-09% change)
linmin: converged after 3 iterations.
- iteration 327: trace = 6.638733455516046 (2.45995e-10% change)
+ iteration 318: trace = 6.638733455993431 (1.93672e-09% change)
+ linmin: converged after 19 iterations.
+ iteration 319: trace = 6.638733455877123 (1.75196e-09% change)
+ linmin: converged after 13 iterations.
+ iteration 320: trace = 6.638733455803544 (1.10832e-09% change)
+ linmin: converged after 12 iterations.
+ iteration 321: trace = 6.638733455753677 (7.51162e-10% change)
+ linmin: converged after 21 iterations.
+ iteration 322: trace = 6.638733455681622 (1.08536e-09% change)
+ linmin: converged after 18 iterations.
+ iteration 323: trace = 6.638733455613798 (1.02165e-09% change)
linmin: converged after 4 iterations.
- iteration 328: trace = 6.638733455504073 (1.80359e-10% change)
+ iteration 324: trace = 6.638733455575554 (5.76061e-10% change)
+ linmin: converged after 9 iterations.
+ iteration 325: trace = 6.638733455551931 (3.55848e-10% change)
linmin: converged after 4 iterations.
- iteration 329: trace = 6.638733455493956 (1.52397e-10% change)
+ iteration 326: trace = 6.638733455530565 (3.21839e-10% change)
+ linmin: converged after 9 iterations.
+ iteration 327: trace = 6.638733455520651 (1.49333e-10% change)
+ linmin: converged after 10 iterations.
+ iteration 328: trace = 6.638733455508835 (1.77977e-10% change)
+ linmin: converged after 2 iterations.
+ iteration 329: trace = 6.638733455498822 (1.50832e-10% change)
+ linmin: converged after 4 iterations.
+ iteration 330: trace = 6.638733455486697 (1.82646e-10% change)
linmin: converged after 6 iterations.
- iteration 330: trace = 6.638733455486666 (1.09799e-10% change)
- linmin: converged after 3 iterations.
- iteration 331: trace = 6.63873345548043 (9.39321e-11% change)
+ iteration 331: trace = 6.638733455483321 (5.08526e-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: 4.580918312072754
+elapsed time for k point: 13.64102578163147
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
- iteration 1: trace = 6.626057620494977 (0.100232% change)
+ iteration 1: trace = 6.6260576237697 (0.100232% change)
linmin: converged after 4 iterations.
- iteration 2: trace = 6.622613126482808 (0.0519976% change)
+ iteration 2: trace = 6.622613136247769 (0.0519975% change)
linmin: converged after 3 iterations.
- iteration 3: trace = 6.620673744694375 (0.0292885% change)
+ iteration 3: trace = 6.620673751098646 (0.0292886% change)
linmin: converged after 3 iterations.
- iteration 4: trace = 6.619597684089716 (0.0162544% change)
+ iteration 4: trace = 6.619597693969425 (0.0162543% change)
linmin: converged after 3 iterations.
- iteration 5: trace = 6.618315086898861 (0.0193776% change)
+ iteration 5: trace = 6.618315103587323 (0.0193775% change)
linmin: converged after 3 iterations.
- iteration 6: trace = 6.617219271073397 (0.0165587% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 6.615295852367035 (0.0290711% change)
+ iteration 6: trace = 6.617219281266017 (0.0165588% change)
linmin: converged after 4 iterations.
- iteration 8: trace = 6.61417947460509 (0.0168771% change)
+ iteration 7: trace = 6.615295857082153 (0.0290712% change)
linmin: converged after 3 iterations.
- iteration 9: trace = 6.613750790278417 (0.0064815% change)
+ iteration 8: trace = 6.614179476934057 (0.0168772% change)
+ linmin: converged after 3 iterations.
+ iteration 9: trace = 6.613750797099966 (0.00648143% change)
linmin: converged after 4 iterations.
- iteration 10: trace = 6.613492231709061 (0.00390949% change)
- linmin: converged after 5 iterations.
- iteration 11: trace = 6.613099991406017 (0.00593109% change)
+ iteration 10: trace = 6.613492239262217 (0.00390947% change)
+ linmin: converged after 8 iterations.
+ iteration 11: trace = 6.613099998232477 (0.0059311% change)
linmin: converged after 4 iterations.
- iteration 12: trace = 6.612508174275854 (0.00894956% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 6.611911605435617 (0.00902223% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 6.611621978609148 (0.00438048% change)
+ iteration 12: trace = 6.612508450138579 (0.0089455% change)
linmin: converged after 3 iterations.
- iteration 15: trace = 6.61152879661069 (0.00140938% change)
+ iteration 13: trace = 6.611911614851758 (0.00902626% change)
linmin: converged after 4 iterations.
- iteration 16: trace = 6.611478379278624 (0.00076257% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 6.611426400397185 (0.000786195% change)
+ iteration 14: trace = 6.61162197986756 (0.0043806% change)
+ linmin: converged after 14 iterations.
+ iteration 15: trace = 6.611528800444471 (0.00140934% change)
+ linmin: converged after 11 iterations.
+ iteration 16: trace = 6.611478383867063 (0.000762558% change)
linmin: converged after 3 iterations.
- iteration 18: trace = 6.611356798514873 (0.00105276% change)
+ iteration 17: trace = 6.611426401522207 (0.000786247% change)
linmin: converged after 3 iterations.
- iteration 19: trace = 6.611309368975563 (0.000717398% change)
+ iteration 18: trace = 6.611356799706302 (0.00105276% change)
linmin: converged after 3 iterations.
- iteration 20: trace = 6.611236277607452 (0.00110556% change)
+ iteration 19: trace = 6.611309374215812 (0.000717336% change)
linmin: converged after 3 iterations.
- iteration 21: trace = 6.611184239700009 (0.000787116% change)
+ iteration 20: trace = 6.611236278071851 (0.00110563% change)
linmin: converged after 3 iterations.
- iteration 22: trace = 6.611157390617158 (0.000406117% change)
- linmin: converged after 6 iterations.
- iteration 23: trace = 6.611149761229047 (0.000115402% change)
+ iteration 21: trace = 6.61118424056561 (0.00078711% change)
linmin: converged after 3 iterations.
- iteration 24: trace = 6.611137418246711 (0.0001867% change)
+ iteration 22: trace = 6.611157392516317 (0.000406101% change)
linmin: converged after 4 iterations.
- iteration 25: trace = 6.611117109676448 (0.000307188% change)
- linmin: converged after 8 iterations.
- iteration 26: trace = 6.611106887867352 (0.000154616% change)
- linmin: converged after 7 iterations.
- iteration 27: trace = 6.611093350475041 (0.000204768% change)
- linmin: converged after 5 iterations.
- iteration 28: trace = 6.611088832485065 (6.83396e-05% change)
+ iteration 23: trace = 6.611149765657109 (0.000115364% change)
+ linmin: converged after 4 iterations.
+ iteration 24: trace = 6.611137418834302 (0.000186758% change)
+ linmin: converged after 4 iterations.
+ iteration 25: trace = 6.611117110368845 (0.000307186% change)
+ linmin: converged after 4 iterations.
+ iteration 26: trace = 6.611106889872412 (0.000154596% change)
+ linmin: converged after 4 iterations.
+ iteration 27: trace = 6.611093350540525 (0.000204797% change)
linmin: converged after 5 iterations.
- iteration 29: trace = 6.61108683176395 (3.02631e-05% change)
- linmin: converged after 3 iterations.
- iteration 30: trace = 6.611085128924971 (2.57573e-05% change)
- linmin: converged after 3 iterations.
- iteration 31: trace = 6.611082646646197 (3.75472e-05% change)
+ iteration 28: trace = 6.611088832478344 (6.83406e-05% change)
+ linmin: converged after 4 iterations.
+ iteration 29: trace = 6.611086832035665 (3.02589e-05% change)
+ linmin: converged after 4 iterations.
+ iteration 30: trace = 6.611085130062883 (2.57442e-05% change)
+ linmin: converged after 4 iterations.
+ iteration 31: trace = 6.61108264676884 (3.75626e-05% change)
linmin: converged after 3 iterations.
- iteration 32: trace = 6.611078563818122 (6.17573e-05% change)
+ iteration 32: trace = 6.611078563945897 (6.17573e-05% change)
linmin: converged after 3 iterations.
- iteration 33: trace = 6.611077155557211 (2.13015e-05% change)
+ iteration 33: trace = 6.611077156727883 (2.12858e-05% change)
linmin: converged after 3 iterations.
- iteration 34: trace = 6.611075809316514 (2.03634e-05% change)
- linmin: converged after 9 iterations.
- iteration 35: trace = 6.611075193967333 (9.30785e-06% change)
+ iteration 34: trace = 6.611075809350823 (2.03806e-05% change)
+ linmin: converged after 5 iterations.
+ iteration 35: trace = 6.611075193950397 (9.30863e-06% change)
linmin: converged after 2 iterations.
- iteration 36: trace = 6.611074698880083 (7.48876e-06% change)
- linmin: converged after 6 iterations.
- iteration 37: trace = 6.611074407551921 (4.40667e-06% change)
- large trace change predicted (9.33295e-06%)
- linmin: converged after 9 iterations.
- iteration 38: trace = 6.611073790582134 (9.33237e-06% change)
- linmin: converged after 3 iterations.
- iteration 39: trace = 6.611073203369893 (8.88225e-06% change)
- linmin: converged after 4 iterations.
- iteration 40: trace = 6.611073052540952 (2.28146e-06% change)
- linmin: converged after 15 iterations.
- iteration 41: trace = 6.611072941977674 (1.6724e-06% change)
+ iteration 36: trace = 6.611074698908572 (7.48807e-06% change)
+ linmin: converged after 2 iterations.
+ iteration 37: trace = 6.611074407571144 (4.40681e-06% change)
+ large trace change predicted (9.33325e-06%)
+ linmin: converged after 5 iterations.
+ iteration 38: trace = 6.611073790580959 (9.33268e-06% change)
linmin: converged after 3 iterations.
- iteration 42: trace = 6.611072861004637 (1.22481e-06% change)
- linmin: converged after 8 iterations.
- iteration 43: trace = 6.61107280858274 (7.92941e-07% change)
+ iteration 39: trace = 6.611073203395692 (8.88184e-06% change)
linmin: converged after 2 iterations.
- iteration 44: trace = 6.611072776030954 (4.92383e-07% change)
+ iteration 40: trace = 6.611073052666175 (2.27996e-06% change)
linmin: converged after 3 iterations.
- iteration 45: trace = 6.611072738168386 (5.72714e-07% change)
- linmin: converged after 15 iterations.
- iteration 46: trace = 6.611072698875848 (5.94344e-07% change)
+ iteration 41: trace = 6.611072941982572 (1.67422e-06% change)
linmin: converged after 3 iterations.
- iteration 47: trace = 6.611072683717714 (2.29284e-07% change)
- linmin: converged after 4 iterations.
- iteration 48: trace = 6.611072672237301 (1.73654e-07% change)
+ iteration 42: trace = 6.611072860997705 (1.22499e-06% change)
+ linmin: converged after 19 iterations.
+ iteration 43: trace = 6.611072808571613 (7.93004e-07% change)
+ linmin: converged after 2 iterations.
+ iteration 44: trace = 6.611072776009633 (4.92537e-07% change)
+ linmin: converged after 5 iterations.
+ iteration 45: trace = 6.611072738166845 (5.72415e-07% change)
linmin: converged after 3 iterations.
- iteration 49: trace = 6.611072662758709 (1.43374e-07% change)
+ iteration 46: trace = 6.61107269887773 (5.94293e-07% change)
linmin: converged after 3 iterations.
- iteration 50: trace = 6.61107265697399 (8.75005e-08% change)
- linmin: converged after 8 iterations.
- iteration 51: trace = 6.611072652142187 (7.30865e-08% change)
- linmin: converged after 5 iterations.
- iteration 52: trace = 6.611072646470036 (8.57977e-08% change)
- linmin: converged after 19 iterations.
- iteration 53: trace = 6.611072641171591 (8.0145e-08% change)
- linmin: converged after 4 iterations.
- iteration 54: trace = 6.611072640189413 (1.48566e-08% change)
- linmin: converged after 4 iterations.
- iteration 55: trace = 6.611072639602241 (8.88163e-09% change)
- linmin: converged after 21 iterations.
- iteration 56: trace = 6.61107263921562 (5.84809e-09% change)
- linmin: converged after 4 iterations.
- iteration 57: trace = 6.611072638759226 (6.90348e-09% change)
+ iteration 47: trace = 6.611072683722457 (2.29241e-07% change)
+ linmin: converged after 20 iterations.
+ iteration 48: trace = 6.61107267223891 (1.73702e-07% change)
linmin: converged after 4 iterations.
- iteration 58: trace = 6.611072638472151 (4.34234e-09% change)
+ iteration 49: trace = 6.611072662758527 (1.43402e-07% change)
+ linmin: converged after 2 iterations.
+ iteration 50: trace = 6.611072656973558 (8.75042e-08% change)
+ linmin: converged after 14 iterations.
+ iteration 51: trace = 6.611072652140479 (7.31058e-08% change)
linmin: converged after 4 iterations.
- iteration 59: trace = 6.611072638036753 (6.58588e-09% change)
- linmin: converged after 21 iterations.
- iteration 60: trace = 6.611072637784839 (3.81049e-09% change)
- linmin: converged after 16 iterations.
- iteration 61: trace = 6.611072637653132 (1.99222e-09% change)
+ iteration 52: trace = 6.611072646471644 (8.57476e-08% change)
+ linmin: converged after 25 iterations.
+ iteration 53: trace = 6.611072641170976 (8.01786e-08% change)
+ linmin: converged after 3 iterations.
+ iteration 54: trace = 6.611072640188722 (1.48577e-08% change)
linmin: converged after 4 iterations.
- iteration 62: trace = 6.611072637585758 (1.01912e-09% change)
+ iteration 55: trace = 6.611072639602137 (8.87277e-09% change)
+ linmin: converged after 3 iterations.
+ iteration 56: trace = 6.611072639215618 (5.84653e-09% change)
+ linmin: converged after 23 iterations.
+ iteration 57: trace = 6.611072638759814 (6.89456e-09% change)
linmin: converged after 2 iterations.
- iteration 63: trace = 6.611072637534616 (7.73571e-10% change)
- linmin: converged after 7 iterations.
- iteration 64: trace = 6.611072637495112 (5.97549e-10% change)
+ iteration 58: trace = 6.611072638476969 (4.27835e-09% change)
+ linmin: converged after 20 iterations.
+ iteration 59: trace = 6.611072638036925 (6.65617e-09% change)
+ linmin: converged after 13 iterations.
+ iteration 60: trace = 6.611072637785957 (3.79618e-09% change)
+ linmin: converged after 16 iterations.
+ iteration 61: trace = 6.611072637654685 (1.98564e-09% change)
+ linmin: converged after 16 iterations.
+ iteration 62: trace = 6.611072637586027 (1.03853e-09% change)
+ linmin: converged after 6 iterations.
+ iteration 63: trace = 6.611072637534644 (7.77225e-10% change)
+ linmin: converged after 3 iterations.
+ iteration 64: trace = 6.61107263749526 (5.95722e-10% change)
+ linmin: converged after 18 iterations.
+ iteration 65: trace = 6.611072637473985 (3.21815e-10% change)
+ large trace change predicted (1.05833e-09%)
linmin: converged after 5 iterations.
- iteration 65: trace = 6.611072637473879 (3.2117e-10% change)
- large trace change predicted (1.05703e-09%)
- linmin: converged after 9 iterations.
- iteration 66: trace = 6.611072637403993 (1.05711e-09% change)
+ iteration 66: trace = 6.611072637404018 (1.05833e-09% change)
linmin: converged after 4 iterations.
- iteration 67: trace = 6.61107263737826 (3.89244e-10% change)
- linmin: converged after 3 iterations.
- iteration 68: trace = 6.611072637366694 (1.74947e-10% change)
+ iteration 67: trace = 6.611072637378244 (3.89848e-10% change)
+ linmin: converged after 6 iterations.
+ iteration 68: trace = 6.611072637366652 (1.7535e-10% change)
linmin: converged after 3 iterations.
- iteration 69: trace = 6.611072637361763 (7.45761e-11% change)
+ iteration 69: trace = 6.611072637361769 (7.3864e-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: 2.046769142150879
+elapsed time for k point: 4.862880706787109
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
- iteration 1: trace = 6.696548450697246 (0.194448% change)
+ iteration 1: trace = 6.69654845025137 (0.194448% change)
linmin: converged after 3 iterations.
- iteration 2: trace = 6.689342465328255 (0.107665% change)
+ iteration 2: trace = 6.689342465375486 (0.107665% change)
linmin: converged after 3 iterations.
- iteration 3: trace = 6.684968588152273 (0.0654071% change)
+ iteration 3: trace = 6.684968588326884 (0.0654071% change)
linmin: converged after 4 iterations.
- iteration 4: trace = 6.682654417678721 (0.0346235% change)
+ iteration 4: trace = 6.682654417292113 (0.0346235% change)
linmin: converged after 3 iterations.
- iteration 5: trace = 6.68057897415484 (0.031062% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 6.677750730984548 (0.0423443% change)
+ iteration 5: trace = 6.680578973283696 (0.031062% change)
+ linmin: converged after 3 iterations.
+ iteration 6: trace = 6.677750731033851 (0.0423442% change)
linmin: converged after 4 iterations.
- iteration 7: trace = 6.674361515607246 (0.0507667% change)
+ iteration 7: trace = 6.674361515453429 (0.0507667% change)
linmin: converged after 4 iterations.
- iteration 8: trace = 6.672549248951057 (0.0271563% change)
+ iteration 8: trace = 6.672549248124937 (0.0271564% change)
linmin: converged after 4 iterations.
- iteration 9: trace = 6.67035707388253 (0.032859% change)
+ iteration 9: trace = 6.670357074217137 (0.032859% change)
linmin: converged after 4 iterations.
- iteration 10: trace = 6.669034273270586 (0.019833% change)
+ iteration 10: trace = 6.669034273421945 (0.019833% change)
linmin: converged after 3 iterations.
- iteration 11: trace = 6.667931878122467 (0.0165314% change)
+ iteration 11: trace = 6.667931877203758 (0.0165314% change)
linmin: converged after 4 iterations.
- iteration 12: trace = 6.667446347483382 (0.00728184% change)
+ iteration 12: trace = 6.667446347339836 (0.00728183% change)
large trace change predicted (0.0240835%)
- linmin: converged after 3 iterations.
- iteration 13: trace = 6.665843395804814 (0.0240444% change)
linmin: converged after 4 iterations.
- iteration 14: trace = 6.664868522489406 (0.014626% change)
+ iteration 13: trace = 6.665843395948846 (0.0240443% change)
+ linmin: converged after 4 iterations.
+ iteration 14: trace = 6.664868522604189 (0.014626% change)
linmin: converged after 3 iterations.
- iteration 15: trace = 6.663981786977709 (0.0133055% change)
+ iteration 15: trace = 6.663981786802305 (0.0133055% change)
linmin: converged after 3 iterations.
- iteration 16: trace = 6.663285117103061 (0.0104548% change)
+ iteration 16: trace = 6.663285117138646 (0.0104548% change)
linmin: converged after 4 iterations.
- iteration 17: trace = 6.662813208990162 (0.00708246% change)
+ iteration 17: trace = 6.662813208969369 (0.00708247% change)
linmin: converged after 3 iterations.
- iteration 18: trace = 6.662657367728647 (0.002339% change)
+ iteration 18: trace = 6.662657367649856 (0.002339% change)
linmin: converged after 3 iterations.
- iteration 19: trace = 6.662510138462022 (0.00220979% change)
+ iteration 19: trace = 6.662510138450232 (0.00220979% change)
large trace change predicted (0.00524066%)
- linmin: converged after 5 iterations.
- iteration 20: trace = 6.662160849212027 (0.00524274% change)
+ linmin: converged after 15 iterations.
+ iteration 20: trace = 6.662160849237966 (0.00524274% change)
linmin: converged after 4 iterations.
- iteration 21: trace = 6.661974209878505 (0.00280152% change)
+ iteration 21: trace = 6.66197420989029 (0.00280152% change)
linmin: converged after 4 iterations.
- iteration 22: trace = 6.661701520808619 (0.0040933% change)
+ iteration 22: trace = 6.661701520880363 (0.0040933% change)
linmin: converged after 4 iterations.
- iteration 23: trace = 6.6614997208688 (0.0030293% change)
+ iteration 23: trace = 6.661499720875717 (0.0030293% change)
linmin: converged after 3 iterations.
- iteration 24: trace = 6.661401436797187 (0.00147542% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 6.661330968897884 (0.00105786% change)
- linmin: converged after 5 iterations.
- iteration 26: trace = 6.661273357518132 (0.000864867% change)
+ iteration 24: trace = 6.66140143678833 (0.00147542% change)
linmin: converged after 3 iterations.
- iteration 27: trace = 6.661214838069622 (0.000878506% change)
+ iteration 25: trace = 6.661330968901323 (0.00105786% change)
linmin: converged after 4 iterations.
- iteration 28: trace = 6.66115775937144 (0.000856885% change)
- linmin: converged after 16 iterations.
- iteration 29: trace = 6.661112661277841 (0.000677033% change)
- linmin: converged after 12 iterations.
- iteration 30: trace = 6.661070300455188 (0.000635944% change)
- linmin: converged after 7 iterations.
- iteration 31: trace = 6.661058308095186 (0.000180037% change)
+ iteration 26: trace = 6.661273357520589 (0.000864867% change)
+ linmin: converged after 3 iterations.
+ iteration 27: trace = 6.661214838045455 (0.000878507% change)
linmin: converged after 4 iterations.
- iteration 32: trace = 6.661042292616671 (0.000240435% change)
+ iteration 28: trace = 6.661157759371667 (0.000856885% change)
+ linmin: converged after 5 iterations.
+ iteration 29: trace = 6.661112661284326 (0.000677033% change)
+ linmin: converged after 20 iterations.
+ iteration 30: trace = 6.661070300433895 (0.000635945% change)
linmin: converged after 3 iterations.
- iteration 33: trace = 6.661028283422302 (0.000210316% change)
+ iteration 31: trace = 6.66105830797355 (0.000180038% change)
linmin: converged after 3 iterations.
- iteration 34: trace = 6.661012970038681 (0.000229895% change)
+ iteration 32: trace = 6.661042292611342 (0.000240433% change)
linmin: converged after 3 iterations.
- iteration 35: trace = 6.661000272851032 (0.00019062% change)
+ iteration 33: trace = 6.661028283401026 (0.000210316% change)
linmin: converged after 3 iterations.
- iteration 36: trace = 6.66098105771455 (0.000288473% change)
+ iteration 34: trace = 6.661012969925144 (0.000229897% change)
linmin: converged after 3 iterations.
- iteration 37: trace = 6.66097484643405 (9.32488e-05% change)
- linmin: converged after 4 iterations.
- iteration 38: trace = 6.660970536549605 (6.47035e-05% change)
+ iteration 35: trace = 6.661000272803735 (0.000190619% change)
+ linmin: converged after 5 iterations.
+ iteration 36: trace = 6.660981057702862 (0.000288472% change)
linmin: converged after 3 iterations.
- iteration 39: trace = 6.660965329903084 (7.81665e-05% change)
+ iteration 37: trace = 6.660974846356311 (9.32498e-05% change)
linmin: converged after 3 iterations.
- iteration 40: trace = 6.660960399217141 (7.40236e-05% change)
+ iteration 38: trace = 6.660970536539435 (6.47025e-05% change)
+ linmin: converged after 5 iterations.
+ iteration 39: trace = 6.660965329886953 (7.81666e-05% change)
linmin: converged after 4 iterations.
- iteration 41: trace = 6.660955690712223 (7.06881e-05% change)
+ iteration 40: trace = 6.660960399146574 (7.40244e-05% change)
+ linmin: converged after 6 iterations.
+ iteration 41: trace = 6.66095569069584 (7.06873e-05% change)
+ linmin: converged after 4 iterations.
+ iteration 42: trace = 6.660951410712856 (6.42548e-05% change)
linmin: converged after 3 iterations.
- iteration 42: trace = 6.660951410715819 (6.4255e-05% change)
+ iteration 43: trace = 6.660948058569098 (5.03253e-05% change)
linmin: converged after 3 iterations.
- iteration 43: trace = 6.660948058611444 (5.03247e-05% change)
- linmin: converged after 10 iterations.
- iteration 44: trace = 6.660947085965647 (1.46022e-05% change)
- large trace change predicted (2.98585e-05%)
- linmin: converged after 3 iterations.
- iteration 45: trace = 6.660945097035932 (2.98596e-05% change)
+ iteration 44: trace = 6.660947085941736 (1.46019e-05% change)
+ large trace change predicted (2.98581e-05%)
+ linmin: converged after 4 iterations.
+ iteration 45: trace = 6.660945097035194 (2.98592e-05% change)
+ linmin: converged after 4 iterations.
+ iteration 46: trace = 6.66094382178454 (1.91452e-05% change)
+ linmin: converged after 5 iterations.
+ iteration 47: trace = 6.660942440494746 (2.07372e-05% change)
+ linmin: converged after 4 iterations.
+ iteration 48: trace = 6.660941469353216 (1.45796e-05% change)
linmin: converged after 3 iterations.
- iteration 46: trace = 6.660943821792785 (1.91451e-05% change)
- linmin: converged after 8 iterations.
- iteration 47: trace = 6.660942440537547 (2.07366e-05% change)
+ iteration 49: trace = 6.66094020410135 (1.89951e-05% change)
linmin: converged after 5 iterations.
- iteration 48: trace = 6.660941469358377 (1.45802e-05% change)
- linmin: converged after 9 iterations.
- iteration 49: trace = 6.660940204105689 (1.89951e-05% change)
- linmin: converged after 8 iterations.
- iteration 50: trace = 6.660939460761348 (1.11598e-05% change)
+ iteration 50: trace = 6.660939460723126 (1.11603e-05% change)
linmin: converged after 3 iterations.
- iteration 51: trace = 6.660938948019672 (7.69774e-06% change)
- linmin: converged after 4 iterations.
- iteration 52: trace = 6.660938435137035 (7.69986e-06% change)
+ iteration 51: trace = 6.660938948018435 (7.69718e-06% change)
linmin: converged after 3 iterations.
- iteration 53: trace = 6.660938003150241 (6.48537e-06% change)
- linmin: converged after 4 iterations.
- iteration 54: trace = 6.660937690918812 (4.6875e-06% change)
+ iteration 52: trace = 6.660938435141803 (7.69977e-06% change)
linmin: converged after 3 iterations.
- iteration 55: trace = 6.660937258478576 (6.49218e-06% change)
+ iteration 53: trace = 6.660938003174664 (6.48508e-06% change)
linmin: converged after 3 iterations.
- iteration 56: trace = 6.660937080983507 (2.66472e-06% change)
+ iteration 54: trace = 6.660937690969898 (4.6871e-06% change)
linmin: converged after 3 iterations.
- iteration 57: trace = 6.660937039758156 (6.18912e-07% change)
+ iteration 55: trace = 6.660937258482483 (6.49289e-06% change)
linmin: converged after 3 iterations.
- iteration 58: trace = 6.660936992662055 (7.07049e-07% change)
- linmin: converged after 8 iterations.
- iteration 59: trace = 6.660936943515173 (7.37837e-07% change)
- linmin: converged after 14 iterations.
- iteration 60: trace = 6.660936890551621 (7.95137e-07% change)
+ iteration 56: trace = 6.660937081002793 (2.66449e-06% change)
linmin: converged after 5 iterations.
- iteration 61: trace = 6.660936833463546 (8.57058e-07% change)
- linmin: converged after 4 iterations.
- iteration 62: trace = 6.660936777956312 (8.33325e-07% change)
+ iteration 57: trace = 6.660937039777968 (6.18904e-07% change)
linmin: converged after 3 iterations.
- iteration 63: trace = 6.660936765950669 (1.8024e-07% change)
- linmin: converged after 13 iterations.
- iteration 64: trace = 6.660936755016479 (1.64154e-07% change)
- linmin: converged after 7 iterations.
- iteration 65: trace = 6.660936746504889 (1.27784e-07% change)
- linmin: converged after 4 iterations.
- iteration 66: trace = 6.660936740712755 (8.69567e-08% change)
+ iteration 58: trace = 6.660936992667125 (7.07271e-07% change)
+ linmin: converged after 5 iterations.
+ iteration 59: trace = 6.660936943518592 (7.37862e-07% change)
linmin: converged after 3 iterations.
- iteration 67: trace = 6.660936737170026 (5.31866e-08% change)
- linmin: converged after 4 iterations.
- iteration 68: trace = 6.660936730929397 (9.369e-08% change)
- linmin: converged after 4 iterations.
- iteration 69: trace = 6.660936726677886 (6.38275e-08% change)
- resetting CG direction...
- linmin: converged after 6 iterations.
- iteration 70: trace = 6.660936725044449 (2.45226e-08% change)
+ iteration 60: trace = 6.660936890577585 (7.94798e-07% change)
+ linmin: converged after 5 iterations.
+ iteration 61: trace = 6.660936833465589 (8.57417e-07% change)
+ linmin: converged after 24 iterations.
+ iteration 62: trace = 6.660936777960926 (8.33286e-07% change)
+ linmin: converged after 5 iterations.
+ iteration 63: trace = 6.660936765957731 (1.80203e-07% change)
+ linmin: converged after 2 iterations.
+ iteration 64: trace = 6.660936755017357 (1.64247e-07% change)
linmin: converged after 3 iterations.
- iteration 71: trace = 6.660936723760125 (1.92814e-08% change)
+ iteration 65: trace = 6.66093674650544 (1.27789e-07% change)
+ linmin: converged after 6 iterations.
+ iteration 66: trace = 6.660936740715574 (8.69227e-08% change)
linmin: converged after 4 iterations.
- iteration 72: trace = 6.660936722383197 (2.06717e-08% change)
+ iteration 67: trace = 6.660936737170697 (5.32189e-08% change)
+ linmin: converged after 15 iterations.
+ iteration 68: trace = 6.660936730929448 (9.36993e-08% change)
+ linmin: converged after 3 iterations.
+ iteration 69: trace = 6.660936726678534 (6.38186e-08% change)
+ resetting CG direction...
linmin: converged after 4 iterations.
- iteration 73: trace = 6.660936721386933 (1.49568e-08% change)
+ iteration 70: trace = 6.660936725045222 (2.45207e-08% change)
+ linmin: converged after 2 iterations.
+ iteration 71: trace = 6.660936723760564 (1.92865e-08% change)
linmin: converged after 4 iterations.
- iteration 74: trace = 6.660936720553681 (1.25095e-08% change)
+ iteration 72: trace = 6.660936722383546 (2.0673e-08% change)
linmin: converged after 6 iterations.
- iteration 75: trace = 6.660936719204672 (2.02525e-08% change)
- linmin: converged after 4 iterations.
- iteration 76: trace = 6.660936718306758 (1.34803e-08% change)
+ iteration 73: trace = 6.660936721386091 (1.49747e-08% change)
linmin: converged after 5 iterations.
- iteration 77: trace = 6.660936717517901 (1.1843e-08% change)
- linmin: converged after 16 iterations.
- iteration 78: trace = 6.660936716875986 (9.63701e-09% change)
+ iteration 74: trace = 6.660936720553865 (1.24941e-08% change)
+ linmin: converged after 13 iterations.
+ iteration 75: trace = 6.660936719204704 (2.02548e-08% change)
linmin: converged after 4 iterations.
- iteration 79: trace = 6.66093671638297 (7.40159e-09% change)
+ iteration 76: trace = 6.660936718304 (1.35222e-08% change)
+ linmin: converged after 20 iterations.
+ iteration 77: trace = 6.660936717517122 (1.18133e-08% change)
+ linmin: converged after 16 iterations.
+ iteration 78: trace = 6.660936716876025 (9.62473e-09% change)
+ linmin: converged after 12 iterations.
+ iteration 79: trace = 6.660936716382677 (7.40658e-09% change)
+ linmin: converged after 22 iterations.
+ iteration 80: trace = 6.660936716200043 (2.74187e-09% change)
linmin: converged after 4 iterations.
- iteration 80: trace = 6.660936716200434 (2.74039e-09% change)
- linmin: converged after 5 iterations.
- iteration 81: trace = 6.660936715851852 (5.23324e-09% change)
- linmin: converged after 25 iterations.
- iteration 82: trace = 6.660936715504896 (5.20882e-09% change)
+ iteration 81: trace = 6.66093671585187 (5.22709e-09% change)
+ linmin: converged after 3 iterations.
+ iteration 82: trace = 6.660936715504881 (5.20931e-09% change)
linmin: converged after 4 iterations.
- iteration 83: trace = 6.660936715305283 (2.99677e-09% change)
- linmin: converged after 25 iterations.
- iteration 84: trace = 6.660936715088249 (3.2583e-09% change)
+ iteration 83: trace = 6.66093671530523 (2.99734e-09% change)
+ linmin: converged after 21 iterations.
+ iteration 84: trace = 6.66093671508824 (3.25765e-09% change)
+ linmin: converged after 9 iterations.
+ iteration 85: trace = 6.660936714937202 (2.26751e-09% change)
+ linmin: converged after 10 iterations.
+ iteration 86: trace = 6.660936714833777 (1.55271e-09% change)
+ linmin: converged after 6 iterations.
+ iteration 87: trace = 6.660936714749974 (1.25813e-09% change)
+ linmin: converged after 18 iterations.
+ iteration 88: trace = 6.660936714697367 (7.89781e-10% change)
linmin: converged after 6 iterations.
- iteration 85: trace = 6.660936714937209 (2.26755e-09% change)
+ iteration 89: trace = 6.660936714617602 (1.19751e-09% change)
+ linmin: converged after 16 iterations.
+ iteration 90: trace = 6.660936714577185 (6.0677e-10% change)
linmin: converged after 7 iterations.
- iteration 86: trace = 6.66093671483393 (1.55052e-09% change)
+ iteration 91: trace = 6.66093671454266 (5.18325e-10% change)
linmin: converged after 5 iterations.
- iteration 87: trace = 6.660936714752606 (1.22091e-09% change)
- linmin: converged after 8 iterations.
- iteration 88: trace = 6.660936714698563 (8.11342e-10% change)
- linmin: converged after 6 iterations.
- iteration 89: trace = 6.660936714617685 (1.21422e-09% change)
- linmin: converged after 17 iterations.
- iteration 90: trace = 6.660936714577195 (6.07863e-10% change)
- linmin: converged after 9 iterations.
- iteration 91: trace = 6.660936714542663 (5.18431e-10% change)
- linmin: converged after 4 iterations.
- iteration 92: trace = 6.66093671452318 (2.92498e-10% change)
- linmin: converged after 3 iterations.
- iteration 93: trace = 6.660936714512308 (1.6321e-10% change)
+ iteration 92: trace = 6.660936714523179 (2.92471e-10% change)
linmin: converged after 7 iterations.
- iteration 94: trace = 6.660936714494092 (2.73483e-10% change)
- linmin: converged after 18 iterations.
- iteration 95: trace = 6.660936714476113 (2.6991e-10% change)
- linmin: converged after 4 iterations.
- iteration 96: trace = 6.660936714460309 (2.37268e-10% change)
+ iteration 93: trace = 6.660936714512325 (1.62943e-10% change)
+ linmin: converged after 7 iterations.
+ iteration 94: trace = 6.660936714494101 (2.73603e-10% change)
+ linmin: converged after 2 iterations.
+ iteration 95: trace = 6.660936714476154 (2.6943e-10% change)
+ linmin: converged after 6 iterations.
+ iteration 96: trace = 6.66093671446064 (2.32907e-10% change)
linmin: converged after 4 iterations.
- iteration 97: trace = 6.660936714455183 (7.69513e-11% change)
+ iteration 97: trace = 6.660936714455401 (7.86581e-11% change)
Finished solving for bands 1 to 8 after 97 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: 1.1243326663970947
+elapsed time for k point: 5.8919970989227295
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
- iteration 1: trace = 6.828693017208109 (0.25821% change)
+ iteration 1: trace = 6.828693051154345 (0.258209% change)
linmin: converged after 4 iterations.
- iteration 2: trace = 6.814914961701834 (0.201971% change)
+ iteration 2: trace = 6.814914958893745 (0.201971% change)
linmin: converged after 4 iterations.
- iteration 3: trace = 6.8034925962326 (0.167749% change)
+ iteration 3: trace = 6.80349260183447 (0.167749% change)
linmin: converged after 4 iterations.
- iteration 4: trace = 6.798487274288505 (0.073597% change)
+ iteration 4: trace = 6.79848734870875 (0.0735959% change)
linmin: converged after 4 iterations.
- iteration 5: trace = 6.793361675562998 (0.0754217% change)
+ iteration 5: trace = 6.793361675684579 (0.0754227% change)
linmin: converged after 4 iterations.
- iteration 6: trace = 6.785739195795245 (0.112268% change)
+ iteration 6: trace = 6.785739191682397 (0.112268% change)
linmin: converged after 4 iterations.
- iteration 7: trace = 6.78264878663999 (0.0455531% change)
+ iteration 7: trace = 6.782648806865124 (0.0455527% change)
large trace change predicted (0.100602%)
linmin: converged after 4 iterations.
- iteration 8: trace = 6.775936770194704 (0.0990076% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 6.767502069710002 (0.124558% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 6.76322651774559 (0.0631977% change)
+ iteration 8: trace = 6.775936763703433 (0.099008% change)
linmin: converged after 4 iterations.
- iteration 11: trace = 6.757059628579385 (0.0912242% change)
+ iteration 9: trace = 6.767502062135385 (0.124558% change)
+ linmin: converged after 7 iterations.
+ iteration 10: trace = 6.763226521067462 (0.0631975% change)
linmin: converged after 4 iterations.
- iteration 12: trace = 6.751376335993757 (0.0841443% change)
+ iteration 11: trace = 6.757059612273398 (0.0912245% change)
+ linmin: converged after 3 iterations.
+ iteration 12: trace = 6.751376366656176 (0.0841437% change)
linmin: converged after 3 iterations.
- iteration 13: trace = 6.749200931166567 (0.0322268% change)
- large trace change predicted (0.098765%)
+ iteration 13: trace = 6.749200935773478 (0.0322272% change)
+ large trace change predicted (0.0987644%)
linmin: converged after 4 iterations.
- iteration 14: trace = 6.742591263983803 (0.0979806% change)
+ iteration 14: trace = 6.742591302242313 (0.0979801% change)
linmin: converged after 3 iterations.
- iteration 15: trace = 6.740640382826808 (0.0289379% change)
+ iteration 15: trace = 6.740640411046187 (0.028938% change)
linmin: converged after 4 iterations.
- iteration 16: trace = 6.737712684722542 (0.043443% change)
+ iteration 16: trace = 6.737712689049472 (0.0434433% change)
linmin: converged after 4 iterations.
- iteration 17: trace = 6.734520751506272 (0.0473854% change)
+ iteration 17: trace = 6.734520894288492 (0.0473833% change)
linmin: converged after 4 iterations.
- iteration 18: trace = 6.732582910248322 (0.0287789% change)
+ iteration 18: trace = 6.732582934604476 (0.0287806% change)
linmin: converged after 4 iterations.
- iteration 19: trace = 6.729242224459929 (0.049632% change)
+ iteration 19: trace = 6.729242247617569 (0.049632% change)
linmin: converged after 4 iterations.
- iteration 20: trace = 6.728109255756887 (0.0168379% change)
+ iteration 20: trace = 6.728109349512105 (0.0168369% change)
linmin: converged after 3 iterations.
- iteration 21: trace = 6.726644075252516 (0.0217794% change)
+ iteration 21: trace = 6.726644075980233 (0.0217808% change)
linmin: converged after 4 iterations.
- iteration 22: trace = 6.725872536807032 (0.0114705% change)
- linmin: converged after 3 iterations.
- iteration 23: trace = 6.725359728800651 (0.0076247% change)
+ iteration 22: trace = 6.725872574431966 (0.01147% change)
linmin: converged after 3 iterations.
- iteration 24: trace = 6.724756248311063 (0.00897361% change)
+ iteration 23: trace = 6.725359736473234 (0.00762514% change)
linmin: converged after 4 iterations.
- iteration 25: trace = 6.7242313053107 (0.00780643% change)
+ iteration 24: trace = 6.724756253268692 (0.00897365% change)
linmin: converged after 4 iterations.
- iteration 26: trace = 6.723530381332598 (0.0104244% change)
+ iteration 25: trace = 6.72423135588593 (0.00780575% change)
linmin: converged after 4 iterations.
- iteration 27: trace = 6.72305353579579 (0.00709244% change)
+ iteration 26: trace = 6.72353038351107 (0.0104251% change)
linmin: converged after 4 iterations.
- iteration 28: trace = 6.72265881863575 (0.00587127% change)
+ iteration 27: trace = 6.723053571704133 (0.00709194% change)
linmin: converged after 4 iterations.
- iteration 29: trace = 6.722318016870271 (0.00506958% change)
+ iteration 28: trace = 6.722658821939687 (0.00587176% change)
+ linmin: converged after 5 iterations.
+ iteration 29: trace = 6.722318019409016 (0.00506959% change)
linmin: converged after 3 iterations.
- iteration 30: trace = 6.722110934360552 (0.00308057% change)
+ iteration 30: trace = 6.722110946093002 (0.00308043% change)
linmin: converged after 3 iterations.
- iteration 31: trace = 6.721805719628224 (0.00454056% change)
+ iteration 31: trace = 6.721805721101981 (0.00454072% change)
linmin: converged after 3 iterations.
- iteration 32: trace = 6.72165454038865 (0.00224911% change)
+ iteration 32: trace = 6.721654547984085 (0.00224902% change)
linmin: converged after 3 iterations.
- iteration 33: trace = 6.721517297783834 (0.00204182% change)
+ iteration 33: trace = 6.721517298715021 (0.00204192% change)
linmin: converged after 3 iterations.
- iteration 34: trace = 6.721358425118166 (0.00236367% change)
+ iteration 34: trace = 6.721358436783906 (0.00236351% change)
linmin: converged after 3 iterations.
- iteration 35: trace = 6.721272058063197 (0.00128497% change)
+ iteration 35: trace = 6.721272059164479 (0.00128513% change)
linmin: converged after 3 iterations.
- iteration 36: trace = 6.721179699166091 (0.00137414% change)
- linmin: converged after 4 iterations.
- iteration 37: trace = 6.721123295807936 (0.000839192% change)
+ iteration 36: trace = 6.721179700137169 (0.00137414% change)
+ linmin: converged after 7 iterations.
+ iteration 37: trace = 6.72112330194598 (0.000839115% change)
linmin: converged after 3 iterations.
- iteration 38: trace = 6.721064007742236 (0.000882119% change)
+ iteration 38: trace = 6.721064008046548 (0.000882206% change)
linmin: converged after 3 iterations.
- iteration 39: trace = 6.72097092087002 (0.00138501% change)
+ iteration 39: trace = 6.720970925766762 (0.00138494% change)
linmin: converged after 4 iterations.
- iteration 40: trace = 6.720931115538289 (0.000592257% change)
- large trace change predicted (0.00161289%)
- linmin: converged after 5 iterations.
- iteration 41: trace = 6.720822625073012 (0.00161423% change)
+ iteration 40: trace = 6.720931118364441 (0.000592288% change)
+ large trace change predicted (0.00161291%)
+ linmin: converged after 3 iterations.
+ iteration 41: trace = 6.720822626495152 (0.00161425% change)
linmin: converged after 4 iterations.
- iteration 42: trace = 6.720798455955431 (0.000359616% change)
- large trace change predicted (0.000726896%)
+ iteration 42: trace = 6.720798459314678 (0.000359587% change)
+ large trace change predicted (0.000726947%)
linmin: converged after 4 iterations.
- iteration 43: trace = 6.720749733766366 (0.000724949% change)
- linmin: converged after 3 iterations.
- iteration 44: trace = 6.720722597039881 (0.000403776% change)
- linmin: converged after 5 iterations.
- iteration 45: trace = 6.720705195143765 (0.000258929% change)
+ iteration 43: trace = 6.720749733677937 (0.000725% change)
+ linmin: converged after 4 iterations.
+ iteration 44: trace = 6.720722599348418 (0.00040374% change)
+ linmin: converged after 4 iterations.
+ iteration 45: trace = 6.720705195838294 (0.000258953% change)
large trace change predicted (0.000642163%)
- linmin: converged after 5 iterations.
- iteration 46: trace = 6.720662126792548 (0.000640833% change)
+ linmin: converged after 6 iterations.
+ iteration 46: trace = 6.720662127476741 (0.000640833% change)
linmin: converged after 3 iterations.
- iteration 47: trace = 6.720647154498598 (0.00022278% change)
- linmin: converged after 4 iterations.
- iteration 48: trace = 6.72062043302607 (0.000397603% change)
- linmin: converged after 5 iterations.
- iteration 49: trace = 6.720599309599986 (0.000314308% change)
+ iteration 47: trace = 6.720647157207791 (0.00022275% change)
+ linmin: converged after 8 iterations.
+ iteration 48: trace = 6.720620433065634 (0.000397643% change)
+ linmin: converged after 6 iterations.
+ iteration 49: trace = 6.720599311445288 (0.000314281% change)
linmin: converged after 3 iterations.
- iteration 50: trace = 6.720588137365055 (0.000166239% change)
+ iteration 50: trace = 6.720588137884642 (0.000166259% change)
linmin: converged after 3 iterations.
- iteration 51: trace = 6.720572436621251 (0.000233622% change)
+ iteration 51: trace = 6.72057243682333 (0.000233627% change)
linmin: converged after 3 iterations.
- iteration 52: trace = 6.720560499397283 (0.000177622% change)
+ iteration 52: trace = 6.720560502321083 (0.000177582% change)
linmin: converged after 3 iterations.
- iteration 53: trace = 6.720550778242804 (0.000144648% change)
+ iteration 53: trace = 6.720550778306086 (0.000144691% change)
linmin: converged after 3 iterations.
- iteration 54: trace = 6.720542013016708 (0.000130424% change)
+ iteration 54: trace = 6.72054201518942 (0.000130393% change)
linmin: converged after 3 iterations.
- iteration 55: trace = 6.720538071646672 (5.86466e-05% change)
+ iteration 55: trace = 6.720538071718374 (5.86779e-05% change)
+ linmin: converged after 3 iterations.
+ iteration 56: trace = 6.72053381517578 (6.33364e-05% change)
+ linmin: converged after 4 iterations.
+ iteration 57: trace = 6.720531116533037 (4.01552e-05% change)
linmin: converged after 3 iterations.
- iteration 56: trace = 6.720533814739468 (6.33418e-05% change)
+ iteration 58: trace = 6.720527587074378 (5.25176e-05% change)
+ linmin: converged after 4 iterations.
+ iteration 59: trace = 6.720523742686854 (5.72037e-05% change)
linmin: converged after 3 iterations.
- iteration 57: trace = 6.720531115770584 (4.016e-05% change)
+ iteration 60: trace = 6.720520452028452 (4.89643e-05% change)
linmin: converged after 3 iterations.
- iteration 58: trace = 6.720527587060401 (5.25064e-05% change)
- linmin: converged after 11 iterations.
- iteration 59: trace = 6.720523741211025 (5.72254e-05% change)
+ iteration 61: trace = 6.720515635821292 (7.16642e-05% change)
+ linmin: converged after 4 iterations.
+ iteration 62: trace = 6.72051369558301 (2.88704e-05% change)
+ linmin: converged after 4 iterations.
+ iteration 63: trace = 6.720511339613811 (3.50564e-05% change)
linmin: converged after 2 iterations.
- iteration 60: trace = 6.720520451968262 (4.89433e-05% change)
- linmin: converged after 5 iterations.
- iteration 61: trace = 6.720515635354287 (7.16703e-05% change)
- linmin: converged after 6 iterations.
- iteration 62: trace = 6.720513695468099 (2.88651e-05% change)
+ iteration 64: trace = 6.720510233489242 (1.64589e-05% change)
linmin: converged after 3 iterations.
- iteration 63: trace = 6.72051133960888 (3.50548e-05% change)
+ iteration 65: trace = 6.720509525527539 (1.05343e-05% change)
linmin: converged after 2 iterations.
- iteration 64: trace = 6.720510233359968 (1.64608e-05% change)
+ iteration 66: trace = 6.720508403284164 (1.66988e-05% change)
+ linmin: converged after 5 iterations.
+ iteration 67: trace = 6.720507795474456 (9.0441e-06% change)
+ large trace change predicted (2.55095e-05%)
+ linmin: converged after 7 iterations.
+ iteration 68: trace = 6.720506081153956 (2.55088e-05% change)
+ linmin: converged after 4 iterations.
+ iteration 69: trace = 6.720505166064807 (1.36164e-05% change)
+ resetting CG direction...
linmin: converged after 3 iterations.
- iteration 65: trace = 6.720509525519543 (1.05325e-05% change)
+ iteration 70: trace = 6.720504632404202 (7.94078e-06% change)
linmin: converged after 2 iterations.
- iteration 66: trace = 6.720508403248748 (1.66992e-05% change)
+ iteration 71: trace = 6.720503757869241 (1.30129e-05% change)
linmin: converged after 3 iterations.
- iteration 67: trace = 6.720507795395156 (9.04476e-06% change)
- large trace change predicted (2.55085e-05%)
+ iteration 72: trace = 6.720503155026131 (8.97021e-06% change)
linmin: converged after 3 iterations.
- iteration 68: trace = 6.720506081141613 (2.55078e-05% change)
+ iteration 73: trace = 6.720502824908291 (4.9121e-06% change)
+ linmin: converged after 5 iterations.
+ iteration 74: trace = 6.72050226709905 (8.30011e-06% change)
linmin: converged after 4 iterations.
- iteration 69: trace = 6.720505165966127 (1.36177e-05% change)
- resetting CG direction...
- linmin: converged after 3 iterations.
- iteration 70: trace = 6.720504632302556 (7.94083e-06% change)
+ iteration 75: trace = 6.720501617768297 (9.66194e-06% change)
+ linmin: converged after 12 iterations.
+ iteration 76: trace = 6.720501326228034 (4.33807e-06% change)
linmin: converged after 2 iterations.
- iteration 71: trace = 6.720503757844022 (1.30118e-05% change)
- linmin: converged after 15 iterations.
- iteration 72: trace = 6.720503154978902 (8.97054e-06% change)
+ iteration 77: trace = 6.720500923028406 (5.99955e-06% change)
+ linmin: converged after 3 iterations.
+ iteration 78: trace = 6.720500448443767 (7.06175e-06% change)
linmin: converged after 4 iterations.
- iteration 73: trace = 6.720502824854046 (4.9122e-06% change)
- linmin: converged after 8 iterations.
- iteration 74: trace = 6.720502267064615 (8.29982e-06% change)
+ iteration 79: trace = 6.720500087656586 (5.36846e-06% change)
linmin: converged after 4 iterations.
- iteration 75: trace = 6.720501617680343 (9.66273e-06% change)
- linmin: converged after 3 iterations.
- iteration 76: trace = 6.72050132574036 (4.34402e-06% change)
- linmin: converged after 2 iterations.
- iteration 77: trace = 6.720500923027681 (5.9923e-06% change)
- linmin: converged after 3 iterations.
- iteration 78: trace = 6.720500448330174 (7.06342e-06% change)
+ iteration 80: trace = 6.720499710699892 (5.60906e-06% change)
+ linmin: converged after 6 iterations.
+ iteration 81: trace = 6.72049940863037 (4.49475e-06% change)
linmin: converged after 4 iterations.
- iteration 79: trace = 6.720500087213447 (5.37336e-06% change)
+ iteration 82: trace = 6.720499351281875 (8.53337e-07% change)
+ linmin: converged after 5 iterations.
+ iteration 83: trace = 6.720499245521641 (1.5737e-06% change)
linmin: converged after 4 iterations.
- iteration 80: trace = 6.720499710684663 (5.60269e-06% change)
- linmin: converged after 22 iterations.
- iteration 81: trace = 6.720499408614479 (4.49476e-06% change)
+ iteration 84: trace = 6.72049913262799 (1.67984e-06% change)
linmin: converged after 4 iterations.
- iteration 82: trace = 6.720499351256553 (8.53477e-07% change)
- linmin: converged after 2 iterations.
- iteration 83: trace = 6.720499245527904 (1.57323e-06% change)
+ iteration 85: trace = 6.720498945729719 (2.78102e-06% change)
linmin: converged after 4 iterations.
- iteration 84: trace = 6.720499132630193 (1.6799e-06% change)
- linmin: converged after 5 iterations.
- iteration 85: trace = 6.720498945756275 (2.78066e-06% change)
+ iteration 86: trace = 6.720498852363972 (1.38927e-06% change)
linmin: converged after 4 iterations.
- iteration 86: trace = 6.720498852637848 (1.38559e-06% change)
- linmin: converged after 7 iterations.
- iteration 87: trace = 6.720498761806799 (1.35155e-06% change)
- linmin: converged after 2 iterations.
- iteration 88: trace = 6.720498673535045 (1.31347e-06% change)
- linmin: converged after 6 iterations.
- iteration 89: trace = 6.72049865351342 (2.97919e-07% change)
+ iteration 87: trace = 6.720498761849329 (1.34684e-06% change)
linmin: converged after 4 iterations.
- iteration 90: trace = 6.720498625572545 (4.15756e-07% change)
- linmin: converged after 5 iterations.
- iteration 91: trace = 6.720498602030521 (3.50302e-07% change)
+ iteration 88: trace = 6.7204986739702 (1.30763e-06% change)
+ linmin: converged after 10 iterations.
+ iteration 89: trace = 6.720498653720747 (3.01309e-07% change)
linmin: converged after 4 iterations.
- iteration 92: trace = 6.720498577123617 (3.70611e-07% change)
- linmin: converged after 5 iterations.
- iteration 93: trace = 6.720498560431867 (2.48371e-07% change)
+ iteration 90: trace = 6.720498625582296 (4.18696e-07% change)
linmin: converged after 4 iterations.
- iteration 94: trace = 6.720498532209185 (4.19949e-07% change)
- linmin: converged after 13 iterations.
- iteration 95: trace = 6.720498515844808 (2.43499e-07% change)
+ iteration 91: trace = 6.720498602021372 (3.50583e-07% change)
+ linmin: converged after 8 iterations.
+ iteration 92: trace = 6.720498576202601 (3.84179e-07% change)
+ linmin: converged after 22 iterations.
+ iteration 93: trace = 6.720498560284163 (2.36864e-07% change)
+ linmin: converged after 3 iterations.
+ iteration 94: trace = 6.720498532121002 (4.19064e-07% change)
+ linmin: converged after 4 iterations.
+ iteration 95: trace = 6.720498515238853 (2.51204e-07% change)
+ linmin: converged after 4 iterations.
+ iteration 96: trace = 6.720498508370332 (1.02203e-07% change)
+ linmin: converged after 4 iterations.
+ iteration 97: trace = 6.720498499076403 (1.38292e-07% change)
+ linmin: converged after 10 iterations.
+ iteration 98: trace = 6.720498492447143 (9.86424e-08% change)
linmin: converged after 7 iterations.
- iteration 96: trace = 6.720498508767199 (1.05314e-07% change)
+ iteration 99: trace = 6.72049849018129 (3.37155e-08% change)
linmin: converged after 4 iterations.
- iteration 97: trace = 6.720498499078233 (1.4417e-07% change)
- linmin: converged after 5 iterations.
- iteration 98: trace = 6.720498492456153 (9.85355e-08% change)
- linmin: converged after 6 iterations.
- iteration 99: trace = 6.720498490231268 (3.3106e-08% change)
- linmin: converged after 5 iterations.
- iteration 100: trace = 6.720498486341691 (5.78763e-08% change)
- linmin: converged after 19 iterations.
- iteration 101: trace = 6.720498482648972 (5.49471e-08% change)
+ iteration 100: trace = 6.720498486342221 (5.71248e-08% change)
linmin: converged after 4 iterations.
- iteration 102: trace = 6.720498480432039 (3.29876e-08% change)
+ iteration 101: trace = 6.720498482650953 (5.49255e-08% change)
linmin: converged after 4 iterations.
- iteration 103: trace = 6.720498478111522 (3.45289e-08% change)
+ iteration 102: trace = 6.720498480429661 (3.30525e-08% change)
+ linmin: converged after 12 iterations.
+ iteration 103: trace = 6.720498478111147 (3.44991e-08% change)
linmin: converged after 4 iterations.
- iteration 104: trace = 6.720498474203783 (5.81466e-08% change)
+ iteration 104: trace = 6.720498474206468 (5.8101e-08% change)
linmin: converged after 4 iterations.
- iteration 105: trace = 6.720498473240487 (1.43337e-08% change)
- linmin: converged after 3 iterations.
- iteration 106: trace = 6.720498471875248 (2.03145e-08% change)
+ iteration 105: trace = 6.720498473262042 (1.40529e-08% change)
linmin: converged after 4 iterations.
- iteration 107: trace = 6.720498470954793 (1.36962e-08% change)
+ iteration 106: trace = 6.720498471876009 (2.0624e-08% change)
linmin: converged after 6 iterations.
- iteration 108: trace = 6.72049847030411 (9.68207e-09% change)
+ iteration 107: trace = 6.720498470967589 (1.35172e-08% change)
linmin: converged after 4 iterations.
- iteration 109: trace = 6.720498469396117 (1.35108e-08% change)
- linmin: converged after 6 iterations.
- iteration 110: trace = 6.720498468528084 (1.29162e-08% change)
- linmin: converged after 22 iterations.
- iteration 111: trace = 6.720498468211312 (4.71351e-09% change)
- linmin: converged after 3 iterations.
- iteration 112: trace = 6.720498467648213 (8.37884e-09% change)
- linmin: converged after 21 iterations.
- iteration 113: trace = 6.720498466969858 (1.00938e-08% change)
- linmin: converged after 7 iterations.
- iteration 114: trace = 6.720498466674119 (4.40054e-09% change)
- linmin: converged after 14 iterations.
- iteration 115: trace = 6.720498466438764 (3.50204e-09% change)
+ iteration 108: trace = 6.720498470312162 (9.75265e-09% change)
linmin: converged after 9 iterations.
- iteration 116: trace = 6.720498466248166 (2.83607e-09% change)
+ iteration 109: trace = 6.720498469396089 (1.3631e-08% change)
+ linmin: converged after 7 iterations.
+ iteration 110: trace = 6.720498468512294 (1.31507e-08% change)
linmin: converged after 21 iterations.
- iteration 117: trace = 6.720498466097222 (2.24603e-09% change)
- linmin: converged after 8 iterations.
- iteration 118: trace = 6.720498466030781 (9.88633e-10% change)
- large trace change predicted (2.34768e-09%)
- linmin: converged after 4 iterations.
- iteration 119: trace = 6.720498465873002 (2.34772e-09% change)
+ iteration 111: trace = 6.720498467999879 (7.62466e-09% change)
linmin: converged after 5 iterations.
- iteration 120: trace = 6.720498465792095 (1.20389e-09% change)
+ iteration 112: trace = 6.720498467640348 (5.34977e-09% change)
linmin: converged after 21 iterations.
- iteration 121: trace = 6.720498465746592 (6.77067e-10% change)
- linmin: converged after 15 iterations.
- iteration 122: trace = 6.720498465698609 (7.13992e-10% change)
- linmin: converged after 15 iterations.
- iteration 123: trace = 6.720498465621247 (1.15112e-09% change)
- linmin: converged after 3 iterations.
- iteration 124: trace = 6.720498465595291 (3.86223e-10% change)
- linmin: converged after 15 iterations.
- iteration 125: trace = 6.720498465572993 (3.318e-10% change)
+ iteration 113: trace = 6.720498466970739 (9.96368e-09% change)
+ linmin: converged after 5 iterations.
+ iteration 114: trace = 6.720498466677312 (4.36614e-09% change)
+ linmin: converged after 18 iterations.
+ iteration 115: trace = 6.720498466441213 (3.51312e-09% change)
linmin: converged after 6 iterations.
- iteration 126: trace = 6.720498465558284 (2.18856e-10% change)
- linmin: converged after 9 iterations.
- iteration 127: trace = 6.72049846555446 (5.69079e-11% change)
+ iteration 116: trace = 6.720498466250924 (2.83147e-09% change)
+ linmin: converged after 22 iterations.
+ iteration 117: trace = 6.720498466096265 (2.30131e-09% change)
+ linmin: converged after 6 iterations.
+ iteration 118: trace = 6.720498466030922 (9.72285e-10% change)
+ large trace change predicted (2.34671e-09%)
+ linmin: converged after 4 iterations.
+ iteration 119: trace = 6.720498465873208 (2.34677e-09% change)
+ linmin: converged after 4 iterations.
+ iteration 120: trace = 6.720498465788122 (1.26606e-09% change)
+ linmin: converged after 4 iterations.
+ iteration 121: trace = 6.72049846573104 (8.49363e-10% change)
+ linmin: converged after 4 iterations.
+ iteration 122: trace = 6.720498465696925 (5.07638e-10% change)
+ large trace change predicted (1.13909e-09%)
+ linmin: converged after 4 iterations.
+ iteration 123: trace = 6.720498465620373 (1.13907e-09% change)
+ linmin: converged after 4 iterations.
+ iteration 124: trace = 6.720498465587363 (4.91198e-10% change)
+ linmin: converged after 4 iterations.
+ iteration 125: trace = 6.720498465572864 (2.15737e-10% change)
+ linmin: converged after 3 iterations.
+ iteration 126: trace = 6.720498465558189 (2.18354e-10% change)
+ linmin: converged after 3 iterations.
+ iteration 127: trace = 6.720498465551671 (9.69919e-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: 1.7867562770843506
+elapsed time for k point: 6.7886412143707275
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
- iteration 1: trace = 6.805955562928744 (0.370676% change)
- linmin: converged after 8 iterations.
- iteration 2: trace = 6.786471668016924 (0.286688% change)
+ iteration 1: trace = 6.805955556140274 (0.370677% change)
+ linmin: converged after 5 iterations.
+ iteration 2: trace = 6.786471737212765 (0.286686% change)
linmin: converged after 4 iterations.
- iteration 3: trace = 6.766412334616126 (0.296016% change)
- linmin: converged after 8 iterations.
- iteration 4: trace = 6.762821517377909 (0.0530823% change)
- large trace change predicted (0.161507%)
+ iteration 3: trace = 6.766412303737587 (0.296017% change)
+ linmin: converged after 5 iterations.
+ iteration 4: trace = 6.762821519024953 (0.0530819% change)
+ large trace change predicted (0.161506%)
linmin: converged after 4 iterations.
- iteration 5: trace = 6.751550630673623 (0.166799% change)
+ iteration 5: trace = 6.751550698624738 (0.166798% change)
linmin: converged after 4 iterations.
- iteration 6: trace = 6.745349024355771 (0.0918968% change)
+ iteration 6: trace = 6.745349113007221 (0.0918964% change)
linmin: converged after 4 iterations.
- iteration 7: trace = 6.74135156175338 (0.0592801% change)
+ iteration 7: trace = 6.741351595821003 (0.0592809% change)
linmin: converged after 3 iterations.
- iteration 8: trace = 6.73781499530485 (0.0524746% change)
+ iteration 8: trace = 6.737815037306753 (0.0524744% change)
linmin: converged after 4 iterations.
- iteration 9: trace = 6.736500225957172 (0.0195152% change)
- large trace change predicted (0.0500712%)
+ iteration 9: trace = 6.736500269504852 (0.0195152% change)
+ large trace change predicted (0.0500715%)
linmin: converged after 3 iterations.
- iteration 10: trace = 6.733113221246308 (0.050291% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 6.731523269016685 (0.0236167% change)
+ iteration 10: trace = 6.73311324788274 (0.0502913% change)
+ linmin: converged after 3 iterations.
+ iteration 11: trace = 6.731523288857191 (0.0236168% change)
linmin: converged after 3 iterations.
- iteration 12: trace = 6.72917215108513 (0.0349331% change)
+ iteration 12: trace = 6.729172175479501 (0.034933% change)
linmin: converged after 4 iterations.
- iteration 13: trace = 6.726626313331539 (0.03784% change)
+ iteration 13: trace = 6.726626362365467 (0.0378396% change)
linmin: converged after 4 iterations.
- iteration 14: trace = 6.72526694814056 (0.0202108% change)
+ iteration 14: trace = 6.725266958049311 (0.0202113% change)
linmin: converged after 4 iterations.
- iteration 15: trace = 6.722631929555883 (0.0391886% change)
+ iteration 15: trace = 6.722631997987897 (0.0391877% change)
linmin: converged after 4 iterations.
- iteration 16: trace = 6.721297250368137 (0.0198555% change)
+ iteration 16: trace = 6.721297487258514 (0.019853% change)
linmin: converged after 3 iterations.
- iteration 17: trace = 6.718798670863051 (0.037181% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 6.717806138049131 (0.0147736% change)
+ iteration 17: trace = 6.718798677954432 (0.0371844% change)
+ linmin: converged after 4 iterations.
+ iteration 18: trace = 6.717806389042686 (0.0147699% change)
linmin: converged after 3 iterations.
- iteration 19: trace = 6.716974622663739 (0.0123785% change)
+ iteration 19: trace = 6.716974632417087 (0.0123821% change)
linmin: converged after 3 iterations.
- iteration 20: trace = 6.716373022360233 (0.00895682% change)
+ iteration 20: trace = 6.716373073156239 (0.00895621% change)
linmin: converged after 4 iterations.
- iteration 21: trace = 6.716154278487252 (0.00325693% change)
- large trace change predicted (0.0101657%)
+ iteration 21: trace = 6.716154314212861 (0.00325715% change)
+ large trace change predicted (0.010166%)
+ linmin: converged after 3 iterations.
+ iteration 22: trace = 6.715471644375278 (0.0101651% change)
linmin: converged after 4 iterations.
- iteration 22: trace = 6.715471624728676 (0.0101649% change)
+ iteration 23: trace = 6.71518352147316 (0.00429053% change)
+ large trace change predicted (0.0113975%)
linmin: converged after 4 iterations.
- iteration 23: trace = 6.715183454624158 (0.00429123% change)
- large trace change predicted (0.0113966%)
+ iteration 24: trace = 6.714417842276712 (0.0114029% change)
linmin: converged after 3 iterations.
- iteration 24: trace = 6.714417832318219 (0.011402% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 6.714023750193567 (0.00586936% change)
- linmin: converged after 4 iterations.
- iteration 26: trace = 6.713806563698491 (0.00323487% change)
+ iteration 25: trace = 6.71402394833166 (0.00586656% change)
linmin: converged after 4 iterations.
- iteration 27: trace = 6.713579671509911 (0.00337954% change)
+ iteration 26: trace = 6.713806570525517 (0.00323772% change)
+ linmin: converged after 5 iterations.
+ iteration 27: trace = 6.713579695830396 (0.00337928% change)
linmin: converged after 4 iterations.
- iteration 28: trace = 6.713511732418807 (0.00101197% change)
- large trace change predicted (0.00208784%)
+ iteration 28: trace = 6.713511757404212 (0.00101196% change)
+ large trace change predicted (0.00208817%)
linmin: converged after 3 iterations.
- iteration 29: trace = 6.713371329185268 (0.00209137% change)
+ iteration 29: trace = 6.713371332358085 (0.0020917% change)
linmin: converged after 3 iterations.
- iteration 30: trace = 6.713315053336248 (0.000838269% change)
- large trace change predicted (0.00185114%)
- linmin: converged after 6 iterations.
- iteration 31: trace = 6.713190941678135 (0.00184876% change)
+ iteration 30: trace = 6.713315097566395 (0.000837657% change)
+ large trace change predicted (0.00185176%)
+ linmin: converged after 5 iterations.
+ iteration 31: trace = 6.713190944166159 (0.00184938% change)
linmin: converged after 4 iterations.
- iteration 32: trace = 6.713118662949396 (0.00107667% change)
+ iteration 32: trace = 6.7131186964011 (0.00107621% change)
linmin: converged after 4 iterations.
- iteration 33: trace = 6.713048702456197 (0.00104215% change)
+ iteration 33: trace = 6.713048706918499 (0.00104258% change)
linmin: converged after 4 iterations.
- iteration 34: trace = 6.712960186571246 (0.00131857% change)
+ iteration 34: trace = 6.712960197297235 (0.00131848% change)
linmin: converged after 3 iterations.
- iteration 35: trace = 6.712939421130598 (0.000309334% change)
- large trace change predicted (0.00071383%)
- linmin: converged after 4 iterations.
- iteration 36: trace = 6.712891502854644 (0.000713822% change)
+ iteration 35: trace = 6.712939425580438 (0.000309428% change)
+ large trace change predicted (0.000713864%)
linmin: converged after 3 iterations.
- iteration 37: trace = 6.712883798813513 (0.000114765% change)
- large trace change predicted (0.000489864%)
- linmin: converged after 5 iterations.
- iteration 38: trace = 6.712850923537964 (0.000489735% change)
- linmin: converged after 17 iterations.
- iteration 39: trace = 6.712831946054455 (0.000282704% change)
+ iteration 36: trace = 6.71289150503998 (0.000713856% change)
linmin: converged after 3 iterations.
- iteration 40: trace = 6.712819122177292 (0.000191035% change)
+ iteration 37: trace = 6.712883805566732 (0.000114697% change)
+ large trace change predicted (0.000489954%)
linmin: converged after 4 iterations.
- iteration 41: trace = 6.712799136904248 (0.000297718% change)
+ iteration 38: trace = 6.712850924275557 (0.000489825% change)
+ linmin: converged after 19 iterations.
+ iteration 39: trace = 6.712831958893488 (0.000282524% change)
linmin: converged after 3 iterations.
- iteration 42: trace = 6.712794544479975 (6.8413e-05% change)
- large trace change predicted (0.000162518%)
+ iteration 40: trace = 6.712819123704335 (0.000191204% change)
+ linmin: converged after 6 iterations.
+ iteration 41: trace = 6.712799138643009 (0.000297715% change)
linmin: converged after 3 iterations.
- iteration 43: trace = 6.712783638534319 (0.000162465% change)
- linmin: converged after 12 iterations.
- iteration 44: trace = 6.712781295388652 (3.49057e-05% change)
- large trace change predicted (8.74452e-05%)
+ iteration 42: trace = 6.712794545329164 (6.84262e-05% change)
+ large trace change predicted (0.000162524%)
linmin: converged after 3 iterations.
- iteration 45: trace = 6.712775425428213 (8.74446e-05% change)
+ iteration 43: trace = 6.712783638971096 (0.000162471% change)
+ linmin: converged after 5 iterations.
+ iteration 44: trace = 6.712781297147715 (3.4886e-05% change)
+ large trace change predicted (8.74701e-05%)
+ linmin: converged after 3 iterations.
+ iteration 45: trace = 6.712775425512478 (8.74695e-05% change)
linmin: converged after 4 iterations.
- iteration 46: trace = 6.712773786862236 (2.44097e-05% change)
- large trace change predicted (5.1525e-05%)
+ iteration 46: trace = 6.712773788701442 (2.43835e-05% change)
+ large trace change predicted (5.15564e-05%)
linmin: converged after 3 iterations.
- iteration 47: trace = 6.712770326702039 (5.15459e-05% change)
+ iteration 47: trace = 6.712770326443451 (5.15772e-05% change)
linmin: converged after 3 iterations.
- iteration 48: trace = 6.712767502732814 (4.20686e-05% change)
- linmin: converged after 7 iterations.
- iteration 49: trace = 6.71276670572763 (1.1873e-05% change)
- large trace change predicted (4.49241e-05%)
- linmin: converged after 4 iterations.
- iteration 50: trace = 6.712763689634836 (4.49307e-05% change)
- linmin: converged after 10 iterations.
- iteration 51: trace = 6.712763102138238 (8.75193e-06% change)
- large trace change predicted (2.71667e-05%)
- linmin: converged after 2 iterations.
- iteration 52: trace = 6.712761278495808 (2.71668e-05% change)
+ iteration 48: trace = 6.712767503408735 (4.20547e-05% change)
+ linmin: converged after 6 iterations.
+ iteration 49: trace = 6.712766705976109 (1.18793e-05% change)
+ large trace change predicted (4.49264e-05%)
linmin: converged after 4 iterations.
- iteration 53: trace = 6.712760419626184 (1.27946e-05% change)
+ iteration 50: trace = 6.71276368972368 (4.49331e-05% change)
linmin: converged after 3 iterations.
- iteration 54: trace = 6.712759718324621 (1.04473e-05% change)
+ iteration 51: trace = 6.712763102513145 (8.74767e-06% change)
+ large trace change predicted (2.71726e-05%)
linmin: converged after 3 iterations.
- iteration 55: trace = 6.712759022193954 (1.03703e-05% change)
- linmin: converged after 4 iterations.
- iteration 56: trace = 6.712758847526151 (2.60203e-06% change)
- large trace change predicted (8.44701e-06%)
+ iteration 52: trace = 6.712761278472607 (2.71727e-05% change)
linmin: converged after 3 iterations.
- iteration 57: trace = 6.712758280604067 (8.44544e-06% change)
- linmin: converged after 4 iterations.
- iteration 58: trace = 6.712758165091206 (1.7208e-06% change)
- large trace change predicted (5.84606e-06%)
- linmin: converged after 4 iterations.
- iteration 59: trace = 6.712757772724152 (5.84509e-06% change)
- linmin: converged after 6 iterations.
- iteration 60: trace = 6.712757572397931 (2.98426e-06% change)
- linmin: converged after 4 iterations.
- iteration 61: trace = 6.712757429155298 (2.13389e-06% change)
+ iteration 53: trace = 6.712760420261901 (1.27848e-05% change)
linmin: converged after 3 iterations.
- iteration 62: trace = 6.712757251619532 (2.64475e-06% change)
- linmin: converged after 4 iterations.
- iteration 63: trace = 6.712757218526112 (4.92993e-07% change)
- large trace change predicted (1.75906e-06%)
- linmin: converged after 6 iterations.
- iteration 64: trace = 6.712757100439914 (1.75913e-06% change)
+ iteration 54: trace = 6.712759718319123 (1.04568e-05% change)
+ linmin: converged after 3 iterations.
+ iteration 55: trace = 6.71275902232367 (1.03682e-05% change)
+ linmin: converged after 11 iterations.
+ iteration 56: trace = 6.712758847542699 (2.60371e-06% change)
+ large trace change predicted (8.44623e-06%)
+ linmin: converged after 5 iterations.
+ iteration 57: trace = 6.712758280673249 (8.44466e-06% change)
linmin: converged after 3 iterations.
- iteration 65: trace = 6.712757077214144 (3.45994e-07% change)
- large trace change predicted (7.7499e-07%)
+ iteration 58: trace = 6.712758165186811 (1.7204e-06% change)
+ large trace change predicted (5.84776e-06%)
+ linmin: converged after 4 iterations.
+ iteration 59: trace = 6.712757772705874 (5.84679e-06% change)
linmin: converged after 7 iterations.
- iteration 66: trace = 6.712757025189743 (7.75008e-07% change)
+ iteration 60: trace = 6.71275757260235 (2.98094e-06% change)
+ linmin: converged after 3 iterations.
+ iteration 61: trace = 6.712757429146562 (2.13706e-06% change)
+ linmin: converged after 3 iterations.
+ iteration 62: trace = 6.712757251616035 (2.64467e-06% change)
+ linmin: converged after 3 iterations.
+ iteration 63: trace = 6.712757218523445 (4.92981e-07% change)
+ large trace change predicted (1.75914e-06%)
+ linmin: converged after 3 iterations.
+ iteration 64: trace = 6.712757100431663 (1.75921e-06% change)
+ linmin: converged after 3 iterations.
+ iteration 65: trace = 6.712757077204495 (3.46015e-07% change)
+ large trace change predicted (7.749e-07%)
+ linmin: converged after 11 iterations.
+ iteration 66: trace = 6.712757025186075 (7.74919e-07% change)
linmin: converged after 5 iterations.
- iteration 67: trace = 6.712756982529514 (6.3551e-07% change)
+ iteration 67: trace = 6.712756982495279 (6.35965e-07% change)
linmin: converged after 3 iterations.
- iteration 68: trace = 6.712756959209679 (3.47396e-07% change)
+ iteration 68: trace = 6.712756959208504 (3.46903e-07% change)
linmin: converged after 2 iterations.
- iteration 69: trace = 6.712756913046917 (6.87687e-07% change)
+ iteration 69: trace = 6.712756913014613 (6.88151e-07% change)
resetting CG direction...
- linmin: converged after 19 iterations.
- iteration 70: trace = 6.712756900877062 (1.81294e-07% change)
+ linmin: converged after 3 iterations.
+ iteration 70: trace = 6.71275690086043 (1.81061e-07% change)
linmin: converged after 4 iterations.
- iteration 71: trace = 6.712756887638629 (1.97213e-07% change)
- linmin: converged after 5 iterations.
- iteration 72: trace = 6.71275688341093 (6.29801e-08% change)
- large trace change predicted (1.50508e-07%)
- linmin: converged after 12 iterations.
- iteration 73: trace = 6.71275687330786 (1.50506e-07% change)
- linmin: converged after 19 iterations.
- iteration 74: trace = 6.712756865412508 (1.17617e-07% change)
- linmin: converged after 6 iterations.
- iteration 75: trace = 6.712756859683109 (8.53509e-08% change)
- large trace change predicted (2.04361e-07%)
- linmin: converged after 24 iterations.
- iteration 76: trace = 6.712756845964888 (2.0436e-07% change)
- linmin: converged after 7 iterations.
- iteration 77: trace = 6.712756843622527 (3.48942e-08% change)
- large trace change predicted (1.27344e-07%)
+ iteration 71: trace = 6.712756887622769 (1.97202e-07% change)
linmin: converged after 4 iterations.
- iteration 78: trace = 6.712756835074155 (1.27345e-07% change)
- linmin: converged after 6 iterations.
- iteration 79: trace = 6.712756830487558 (6.83266e-08% change)
- linmin: converged after 9 iterations.
- iteration 80: trace = 6.712756828639383 (2.75323e-08% change)
- linmin: converged after 20 iterations.
- iteration 81: trace = 6.712756824947974 (5.4991e-08% change)
- linmin: converged after 5 iterations.
- iteration 82: trace = 6.712756821606838 (4.97729e-08% change)
- linmin: converged after 6 iterations.
- iteration 83: trace = 6.712756819957895 (2.45643e-08% change)
- linmin: converged after 12 iterations.
- iteration 84: trace = 6.712756818925357 (1.53817e-08% change)
- large trace change predicted (3.12508e-08%)
- linmin: converged after 7 iterations.
- iteration 85: trace = 6.712756816827598 (3.12503e-08% change)
+ iteration 72: trace = 6.712756883398935 (6.29225e-08% change)
+ large trace change predicted (1.50495e-07%)
linmin: converged after 4 iterations.
- iteration 86: trace = 6.712756816425909 (5.98397e-09% change)
- large trace change predicted (2.09825e-08%)
- linmin: converged after 7 iterations.
- iteration 87: trace = 6.712756815017419 (2.09823e-08% change)
+ iteration 73: trace = 6.712756873296715 (1.50493e-07% change)
+ linmin: converged after 3 iterations.
+ iteration 74: trace = 6.712756865398307 (1.17663e-07% change)
+ linmin: converged after 11 iterations.
+ iteration 75: trace = 6.712756859678924 (8.52017e-08% change)
+ large trace change predicted (2.04395e-07%)
linmin: converged after 4 iterations.
- iteration 88: trace = 6.712756814601587 (6.19466e-09% change)
- linmin: converged after 12 iterations.
- iteration 89: trace = 6.712756814039085 (8.3796e-09% change)
+ iteration 76: trace = 6.712756845958428 (2.04394e-07% change)
+ linmin: converged after 8 iterations.
+ iteration 77: trace = 6.712756843616824 (3.48829e-08% change)
+ large trace change predicted (1.27333e-07%)
+ linmin: converged after 3 iterations.
+ iteration 78: trace = 6.712756835069192 (1.27334e-07% change)
+ linmin: converged after 6 iterations.
+ iteration 79: trace = 6.712756830481178 (6.83477e-08% change)
linmin: converged after 4 iterations.
- iteration 90: trace = 6.712756813426791 (9.12135e-09% change)
+ iteration 80: trace = 6.712756828633961 (2.7518e-08% change)
+ linmin: converged after 3 iterations.
+ iteration 81: trace = 6.712756824945631 (5.49451e-08% change)
+ linmin: converged after 8 iterations.
+ iteration 82: trace = 6.712756821600133 (4.98379e-08% change)
+ linmin: converged after 5 iterations.
+ iteration 83: trace = 6.712756819597407 (2.98346e-08% change)
+ linmin: converged after 5 iterations.
+ iteration 84: trace = 6.712756818706199 (1.32763e-08% change)
+ large trace change predicted (2.89885e-08%)
linmin: converged after 4 iterations.
- iteration 91: trace = 6.712756812996636 (6.40802e-09% change)
- linmin: converged after 22 iterations.
- iteration 92: trace = 6.712756812824484 (2.56455e-09% change)
- large trace change predicted (6.83861e-09%)
+ iteration 85: trace = 6.712756816760288 (2.89883e-08% change)
linmin: converged after 4 iterations.
- iteration 93: trace = 6.712756812365434 (6.83847e-09% change)
+ iteration 86: trace = 6.712756815150729 (2.39776e-08% change)
linmin: converged after 4 iterations.
- iteration 94: trace = 6.712756811977275 (5.78241e-09% change)
+ iteration 87: trace = 6.712756814905236 (3.6571e-09% change)
+ large trace change predicted (1.10318e-08%)
+ linmin: converged after 2 iterations.
+ iteration 88: trace = 6.712756814164701 (1.10318e-08% change)
+ linmin: converged after 6 iterations.
+ iteration 89: trace = 6.712756813774292 (5.81592e-09% change)
linmin: converged after 4 iterations.
- iteration 95: trace = 6.712756811894042 (1.23992e-09% change)
- large trace change predicted (3.7171e-09%)
+ iteration 90: trace = 6.712756813420962 (5.26356e-09% change)
linmin: converged after 4 iterations.
- iteration 96: trace = 6.712756811644525 (3.71707e-09% change)
- linmin: converged after 5 iterations.
- iteration 97: trace = 6.712756811581106 (9.44748e-10% change)
- linmin: converged after 3 iterations.
- iteration 98: trace = 6.712756811502445 (1.17181e-09% change)
- linmin: converged after 6 iterations.
- iteration 99: trace = 6.712756811397159 (1.56845e-09% change)
+ iteration 91: trace = 6.712756812889936 (7.91071e-09% change)
+ linmin: converged after 18 iterations.
+ iteration 92: trace = 6.712756812738028 (2.26297e-09% change)
+ large trace change predicted (5.55353e-09%)
linmin: converged after 4 iterations.
- iteration 100: trace = 6.712756811365788 (4.67339e-10% change)
- large trace change predicted (1.85038e-09%)
+ iteration 93: trace = 6.712756812365232 (5.55355e-09% change)
linmin: converged after 5 iterations.
- iteration 101: trace = 6.712756811241579 (1.85034e-09% change)
- linmin: converged after 4 iterations.
- iteration 102: trace = 6.71275681118478 (8.46122e-10% change)
+ iteration 94: trace = 6.712756811971886 (5.85968e-09% change)
linmin: converged after 4 iterations.
- iteration 103: trace = 6.712756811156159 (4.26375e-10% change)
+ iteration 95: trace = 6.71275681189128 (1.20078e-09% change)
+ large trace change predicted (3.72477e-09%)
+ linmin: converged after 5 iterations.
+ iteration 96: trace = 6.712756811641245 (3.72477e-09% change)
linmin: converged after 4 iterations.
- iteration 104: trace = 6.712756811110427 (6.81261e-10% change)
+ iteration 97: trace = 6.712756811541787 (1.48163e-09% change)
linmin: converged after 12 iterations.
- iteration 105: trace = 6.712756811081495 (4.31006e-10% change)
+ iteration 98: trace = 6.712756811501063 (6.06664e-10% change)
+ large trace change predicted (1.81005e-09%)
+ linmin: converged after 9 iterations.
+ iteration 99: trace = 6.712756811379562 (1.81e-09% change)
+ linmin: converged after 17 iterations.
+ iteration 100: trace = 6.712756811258247 (1.80724e-09% change)
+ linmin: converged after 6 iterations.
+ iteration 101: trace = 6.712756811215185 (6.41502e-10% change)
+ linmin: converged after 16 iterations.
+ iteration 102: trace = 6.71275681116723 (7.14379e-10% change)
+ linmin: converged after 3 iterations.
+ iteration 103: trace = 6.712756811117323 (7.43461e-10% change)
linmin: converged after 3 iterations.
- iteration 106: trace = 6.712756811075088 (9.54499e-11% change)
+ iteration 104: trace = 6.71275681110847 (1.31889e-10% change)
+ large trace change predicted (4.47684e-10%)
+ linmin: converged after 7 iterations.
+ iteration 105: trace = 6.712756811078423 (4.47612e-10% change)
+ linmin: converged after 6 iterations.
+ iteration 106: trace = 6.712756811072339 (9.06337e-11% change)
Finished solving for bands 1 to 8 after 106 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: 1.9332091808319092
+elapsed time for k point: 5.425622940063477
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
- iteration 1: trace = 6.8044478351434 (0.0750926% change)
- large trace change predicted (0.247846%)
+ iteration 1: trace = 6.80444734924149 (0.0750996% change)
+ large trace change predicted (0.247839%)
linmin: converged after 3 iterations.
- iteration 2: trace = 6.787509654498768 (0.249238% change)
- linmin: converged after 12 iterations.
- iteration 3: trace = 6.784165962770588 (0.0492746% change)
- large trace change predicted (0.154109%)
+ iteration 2: trace = 6.787509679861592 (0.249231% change)
+ linmin: converged after 5 iterations.
+ iteration 3: trace = 6.784166205009097 (0.0492714% change)
+ large trace change predicted (0.154113%)
linmin: converged after 4 iterations.
- iteration 4: trace = 6.77384718771364 (0.152217% change)
+ iteration 4: trace = 6.773847204144591 (0.15222% change)
linmin: converged after 4 iterations.
- iteration 5: trace = 6.772519747236007 (0.0195985% change)
- large trace change predicted (0.0906905%)
+ iteration 5: trace = 6.772519904103218 (0.0195964% change)
+ large trace change predicted (0.0906923%)
linmin: converged after 4 iterations.
- iteration 6: trace = 6.766221005409494 (0.0930477% change)
+ iteration 6: trace = 6.76622101075382 (0.0930499% change)
linmin: converged after 3 iterations.
- iteration 7: trace = 6.765489254010924 (0.0108154% change)
- large trace change predicted (0.0789849%)
+ iteration 7: trace = 6.765489299171062 (0.0108148% change)
+ large trace change predicted (0.0789854%)
linmin: converged after 4 iterations.
- iteration 8: trace = 6.75996017364335 (0.0817582% change)
+ iteration 8: trace = 6.75996017814931 (0.0817588% change)
linmin: converged after 3 iterations.
- iteration 9: trace = 6.759699812827886 (0.00385159% change)
- large trace change predicted (0.0309307%)
+ iteration 9: trace = 6.759699816788689 (0.0038516% change)
+ large trace change predicted (0.0309306%)
linmin: converged after 3 iterations.
- iteration 10: trace = 6.757603788004104 (0.0310125% change)
+ iteration 10: trace = 6.757603803320771 (0.0310123% change)
linmin: converged after 3 iterations.
- iteration 11: trace = 6.757368968240837 (0.00347496% change)
- large trace change predicted (0.0247089%)
- linmin: converged after 5 iterations.
- iteration 12: trace = 6.755700209858244 (0.0246984% change)
+ iteration 11: trace = 6.757368976585108 (0.00347506% change)
+ large trace change predicted (0.0247087%)
linmin: converged after 4 iterations.
- iteration 13: trace = 6.75550475371244 (0.00289325% change)
- large trace change predicted (0.0128516%)
+ iteration 12: trace = 6.755700228916115 (0.0246983% change)
linmin: converged after 4 iterations.
- iteration 14: trace = 6.754652067148228 (0.0126229% change)
+ iteration 13: trace = 6.755504759812125 (0.00289344% change)
+ large trace change predicted (0.0128513%)
linmin: converged after 4 iterations.
- iteration 15: trace = 6.754115821019064 (0.00793923% change)
+ iteration 14: trace = 6.754652096422456 (0.0126226% change)
linmin: converged after 4 iterations.
- iteration 16: trace = 6.753542652422613 (0.00848657% change)
- large trace change predicted (0.0199713%)
+ iteration 15: trace = 6.754115825109953 (0.0079396% change)
+ linmin: converged after 4 iterations.
+ iteration 16: trace = 6.753542646068752 (0.00848673% change)
+ large trace change predicted (0.0199712%)
linmin: converged after 3 iterations.
- iteration 17: trace = 6.752183278269626 (0.0201303% change)
+ iteration 17: trace = 6.752183278343487 (0.0201302% change)
linmin: converged after 4 iterations.
- iteration 18: trace = 6.75208493575188 (0.00145647% change)
- large trace change predicted (0.015881%)
+ iteration 18: trace = 6.752084930996202 (0.00145654% change)
+ large trace change predicted (0.0158811%)
linmin: converged after 4 iterations.
- iteration 19: trace = 6.751015905606896 (0.0158338% change)
+ iteration 19: trace = 6.751015895306619 (0.0158339% change)
linmin: converged after 4 iterations.
- iteration 20: trace = 6.750877637360235 (0.00204813% change)
- large trace change predicted (0.0154239%)
+ iteration 20: trace = 6.750877629110741 (0.0020481% change)
+ large trace change predicted (0.0154238%)
linmin: converged after 3 iterations.
- iteration 21: trace = 6.749833196948091 (0.0154724% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 6.749728269033688 (0.00155454% change)
- large trace change predicted (0.0115026%)
- linmin: converged after 8 iterations.
- iteration 23: trace = 6.748952010720384 (0.0115012% change)
+ iteration 21: trace = 6.749833196250931 (0.0154723% change)
linmin: converged after 4 iterations.
- iteration 24: trace = 6.748764532707238 (0.00277792% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 6.748476017376526 (0.00427518% change)
+ iteration 22: trace = 6.74972827126466 (0.00155449% change)
+ large trace change predicted (0.0115028%)
linmin: converged after 4 iterations.
- iteration 26: trace = 6.74826276729166 (0.00316002% change)
- linmin: converged after 3 iterations.
- iteration 27: trace = 6.748165139926822 (0.00144671% change)
- large trace change predicted (0.00385794%)
+ iteration 23: trace = 6.748951997189061 (0.0115015% change)
linmin: converged after 4 iterations.
- iteration 28: trace = 6.747905812116392 (0.00384301% change)
+ iteration 24: trace = 6.748764535701455 (0.00277768% change)
linmin: converged after 3 iterations.
- iteration 29: trace = 6.747846599163342 (0.000877505% change)
- large trace change predicted (0.00317739%)
+ iteration 25: trace = 6.748475952935589 (0.00427617% change)
linmin: converged after 4 iterations.
- iteration 30: trace = 6.747632827871498 (0.00316804% change)
+ iteration 26: trace = 6.748262766578589 (0.00315908% change)
linmin: converged after 3 iterations.
- iteration 31: trace = 6.747606384649958 (0.00039189% change)
- large trace change predicted (0.00306599%)
- linmin: converged after 6 iterations.
- iteration 32: trace = 6.747399942257656 (0.00305954% change)
- linmin: converged after 5 iterations.
- iteration 33: trace = 6.747387711015182 (0.000181274% change)
- large trace change predicted (0.00242319%)
+ iteration 27: trace = 6.748165115519629 (0.00144707% change)
+ large trace change predicted (0.00385758%)
linmin: converged after 4 iterations.
- iteration 34: trace = 6.747225019319337 (0.00241121% change)
+ iteration 28: trace = 6.747905812809182 (0.00384264% change)
linmin: converged after 3 iterations.
- iteration 35: trace = 6.747193960783946 (0.000460317% change)
- large trace change predicted (0.00107865%)
+ iteration 29: trace = 6.747846590929771 (0.000877637% change)
+ large trace change predicted (0.00317726%)
linmin: converged after 4 iterations.
- iteration 36: trace = 6.747121432363463 (0.00107495% change)
- linmin: converged after 3 iterations.
- iteration 37: trace = 6.747099769037731 (0.000321076% change)
- large trace change predicted (0.000751319%)
- linmin: converged after 5 iterations.
- iteration 38: trace = 6.747049143717764 (0.00075033% change)
+ iteration 30: trace = 6.747632828218109 (0.00316792% change)
linmin: converged after 3 iterations.
- iteration 39: trace = 6.747008134513375 (0.000607811% change)
- linmin: converged after 8 iterations.
- iteration 40: trace = 6.746998868110698 (0.000137341% change)
- large trace change predicted (0.000631485%)
+ iteration 31: trace = 6.747606380527159 (0.000391956% change)
+ large trace change predicted (0.00306595%)
linmin: converged after 3 iterations.
- iteration 41: trace = 6.746956261049553 (0.000631498% change)
- linmin: converged after 17 iterations.
- iteration 42: trace = 6.746953503606534 (4.08694e-05% change)
- large trace change predicted (0.000481241%)
+ iteration 32: trace = 6.747399940914338 (0.0030595% change)
linmin: converged after 3 iterations.
- iteration 43: trace = 6.746921047449827 (0.00048105% change)
+ iteration 33: trace = 6.747387710034533 (0.000181268% change)
+ large trace change predicted (0.00242345%)
linmin: converged after 4 iterations.
- iteration 44: trace = 6.746917365672457 (5.45698e-05% change)
- large trace change predicted (0.000269893%)
+ iteration 34: trace = 6.747225000358066 (0.00241148% change)
linmin: converged after 3 iterations.
- iteration 45: trace = 6.746899160219138 (0.000269834% change)
+ iteration 35: trace = 6.747193961895454 (0.000460019% change)
+ large trace change predicted (0.00107876%)
linmin: converged after 4 iterations.
- iteration 46: trace = 6.746895007681262 (6.15474e-05% change)
- large trace change predicted (0.000193055%)
+ iteration 36: trace = 6.74712142606743 (0.00107506% change)
linmin: converged after 3 iterations.
- iteration 47: trace = 6.746881974548431 (0.000193172% change)
+ iteration 37: trace = 6.747099769663224 (0.000320973% change)
+ large trace change predicted (0.000751368%)
linmin: converged after 4 iterations.
- iteration 48: trace = 6.746874480879051 (0.000111069% change)
+ iteration 38: trace = 6.747049140982288 (0.00075038% change)
linmin: converged after 3 iterations.
- iteration 49: trace = 6.746868148057193 (9.38631e-05% change)
- linmin: converged after 5 iterations.
- iteration 50: trace = 6.746857504130872 (0.000157761% change)
+ iteration 39: trace = 6.747008135494828 (0.000607756% change)
linmin: converged after 5 iterations.
- iteration 51: trace = 6.746855517504448 (2.94452e-05% change)
- large trace change predicted (0.000214725%)
- linmin: converged after 13 iterations.
- iteration 52: trace = 6.746841037938518 (0.000214612% change)
+ iteration 40: trace = 6.746998865269536 (0.000137398% change)
+ large trace change predicted (0.000631446%)
linmin: converged after 3 iterations.
- iteration 53: trace = 6.746840193319111 (1.25187e-05% change)
- large trace change predicted (9.31731e-05%)
+ iteration 41: trace = 6.746956260900427 (0.000631459% change)
+ linmin: converged after 5 iterations.
+ iteration 42: trace = 6.746953502611817 (4.0882e-05% change)
+ large trace change predicted (0.000481262%)
+ linmin: converged after 11 iterations.
+ iteration 43: trace = 6.746921045032736 (0.000481071% change)
linmin: converged after 4 iterations.
- iteration 54: trace = 6.746833909874822 (9.31317e-05% change)
+ iteration 44: trace = 6.746917365692235 (5.45336e-05% change)
+ large trace change predicted (0.000269929%)
+ linmin: converged after 4 iterations.
+ iteration 45: trace = 6.746899157853357 (0.000269869% change)
+ linmin: converged after 6 iterations.
+ iteration 46: trace = 6.746895007824238 (6.15102e-05% change)
+ large trace change predicted (0.000193122%)
linmin: converged after 3 iterations.
- iteration 55: trace = 6.746833185120688 (1.07421e-05% change)
- large trace change predicted (5.96401e-05%)
+ iteration 47: trace = 6.746881970177647 (0.000193239% change)
+ linmin: converged after 5 iterations.
+ iteration 48: trace = 6.746874481051124 (0.000111001% change)
linmin: converged after 3 iterations.
- iteration 56: trace = 6.746829162775065 (5.96183e-05% change)
+ iteration 49: trace = 6.74686814248656 (9.39482e-05% change)
+ linmin: converged after 7 iterations.
+ iteration 50: trace = 6.746857504298402 (0.000157676% change)
linmin: converged after 3 iterations.
- iteration 57: trace = 6.74682872584188 (6.47613e-06% change)
- large trace change predicted (2.46616e-05%)
+ iteration 51: trace = 6.746855514151282 (2.94974e-05% change)
+ large trace change predicted (0.000214674%)
linmin: converged after 3 iterations.
- iteration 58: trace = 6.746827062783421 (2.46495e-05% change)
+ iteration 52: trace = 6.746841038003201 (0.000214562% change)
linmin: converged after 3 iterations.
- iteration 59: trace = 6.746825889422444 (1.73913e-05% change)
- linmin: converged after 4 iterations.
- iteration 60: trace = 6.7468254528186 (6.47125e-06% change)
- large trace change predicted (2.9587e-05%)
- linmin: converged after 4 iterations.
- iteration 61: trace = 6.746823456469007 (2.95895e-05% change)
+ iteration 53: trace = 6.746840193670483 (1.25145e-05% change)
+ large trace change predicted (9.31738e-05%)
+ linmin: converged after 5 iterations.
+ iteration 54: trace = 6.746833910175999 (9.31324e-05% change)
linmin: converged after 3 iterations.
- iteration 62: trace = 6.746823127186178 (4.88056e-06% change)
- large trace change predicted (2.68491e-05%)
- linmin: converged after 4 iterations.
- iteration 63: trace = 6.746821315813991 (2.68478e-05% change)
+ iteration 55: trace = 6.746833185907565 (1.07349e-05% change)
+ large trace change predicted (5.96601e-05%)
linmin: converged after 3 iterations.
- iteration 64: trace = 6.74682118419874 (1.95077e-06% change)
- large trace change predicted (1.52545e-05%)
+ iteration 56: trace = 6.746829162206959 (5.96384e-05% change)
linmin: converged after 4 iterations.
- iteration 65: trace = 6.746820154925574 (1.52557e-05% change)
+ iteration 57: trace = 6.746828725866173 (6.46735e-06% change)
+ large trace change predicted (2.46907e-05%)
+ linmin: converged after 4 iterations.
+ iteration 58: trace = 6.746827060843097 (2.46786e-05% change)
linmin: converged after 3 iterations.
- iteration 66: trace = 6.746820081598261 (1.08684e-06% change)
- large trace change predicted (7.08505e-06%)
+ iteration 59: trace = 6.746825889475502 (1.73618e-05% change)
+ linmin: converged after 6 iterations.
+ iteration 60: trace = 6.74682545200113 (6.48415e-06% change)
+ large trace change predicted (2.95707e-05%)
linmin: converged after 3 iterations.
- iteration 67: trace = 6.746819603550819 (7.08552e-06% change)
+ iteration 61: trace = 6.746823456747949 (2.95732e-05% change)
linmin: converged after 3 iterations.
- iteration 68: trace = 6.746819452654242 (2.23656e-06% change)
+ iteration 62: trace = 6.746823127121569 (4.88565e-06% change)
+ large trace change predicted (2.68461e-05%)
linmin: converged after 4 iterations.
- iteration 69: trace = 6.746819257362958 (2.89457e-06% change)
- resetting CG direction...
+ iteration 63: trace = 6.74682131595374 (2.68448e-05% change)
linmin: converged after 5 iterations.
- iteration 70: trace = 6.746819149258496 (1.6023e-06% change)
- linmin: converged after 2 iterations.
- iteration 71: trace = 6.746819008848828 (2.08112e-06% change)
+ iteration 64: trace = 6.746821184315568 (1.95111e-06% change)
+ large trace change predicted (1.52571e-05%)
linmin: converged after 4 iterations.
- iteration 72: trace = 6.746818910390979 (1.45932e-06% change)
- linmin: converged after 3 iterations.
- iteration 73: trace = 6.746818745366121 (2.44597e-06% change)
- linmin: converged after 3 iterations.
- iteration 74: trace = 6.7468186168483 (1.90487e-06% change)
+ iteration 65: trace = 6.746820154868746 (1.52583e-05% change)
+ linmin: converged after 8 iterations.
+ iteration 66: trace = 6.74682008163167 (1.08551e-06% change)
+ large trace change predicted (7.09045e-06%)
+ linmin: converged after 4 iterations.
+ iteration 67: trace = 6.746819603220008 (7.09092e-06% change)
linmin: converged after 3 iterations.
- iteration 75: trace = 6.746818399163002 (3.22649e-06% change)
+ iteration 68: trace = 6.746819452762287 (2.23005e-06% change)
linmin: converged after 4 iterations.
- iteration 76: trace = 6.746818285200208 (1.68913e-06% change)
- linmin: converged after 2 iterations.
- iteration 77: trace = 6.746818110005857 (2.5967e-06% change)
- linmin: converged after 15 iterations.
- iteration 78: trace = 6.746818071168098 (5.75646e-07% change)
- large trace change predicted (1.54232e-06%)
+ iteration 69: trace = 6.746819257111356 (2.8999e-06% change)
+ resetting CG direction...
+ linmin: converged after 3 iterations.
+ iteration 70: trace = 6.746819148968335 (1.60287e-06% change)
linmin: converged after 4 iterations.
- iteration 79: trace = 6.746817967112386 (1.54229e-06% change)
- linmin: converged after 15 iterations.
- iteration 80: trace = 6.746817916805639 (7.45637e-07% change)
+ iteration 71: trace = 6.746819008645379 (2.07984e-06% change)
+ linmin: converged after 3 iterations.
+ iteration 72: trace = 6.746818910115123 (1.4604e-06% change)
+ linmin: converged after 3 iterations.
+ iteration 73: trace = 6.746818744942249 (2.44816e-06% change)
linmin: converged after 5 iterations.
- iteration 81: trace = 6.746817907872918 (1.32399e-07% change)
- large trace change predicted (1.24818e-06%)
+ iteration 74: trace = 6.746818616848882 (1.89857e-06% change)
+ linmin: converged after 4 iterations.
+ iteration 75: trace = 6.746818399168993 (3.22641e-06% change)
+ linmin: converged after 3 iterations.
+ iteration 76: trace = 6.746818285618526 (1.68302e-06% change)
linmin: converged after 3 iterations.
- iteration 82: trace = 6.746817823656416 (1.24824e-06% change)
+ iteration 77: trace = 6.746818109702566 (2.60739e-06% change)
+ linmin: converged after 5 iterations.
+ iteration 78: trace = 6.746818071150313 (5.71414e-07% change)
+ large trace change predicted (1.54215e-06%)
linmin: converged after 3 iterations.
- iteration 83: trace = 6.746817816741741 (1.02488e-07% change)
- large trace change predicted (1.0307e-06%)
+ iteration 79: trace = 6.746817967106427 (1.54212e-06% change)
linmin: converged after 6 iterations.
- iteration 84: trace = 6.746817747203361 (1.03068e-06% change)
+ iteration 80: trace = 6.746817914962205 (7.72871e-07% change)
linmin: converged after 3 iterations.
- iteration 85: trace = 6.746817736432 (1.59651e-07% change)
- large trace change predicted (4.77887e-07%)
- linmin: converged after 12 iterations.
- iteration 86: trace = 6.746817704190105 (4.77883e-07% change)
+ iteration 81: trace = 6.746817907520573 (1.10298e-07% change)
+ large trace change predicted (1.26309e-06%)
linmin: converged after 3 iterations.
- iteration 87: trace = 6.746817697549723 (9.84224e-08% change)
- large trace change predicted (2.33383e-07%)
- linmin: converged after 13 iterations.
- iteration 88: trace = 6.74681768180402 (2.3338e-07% change)
+ iteration 82: trace = 6.746817822299007 (1.26314e-06% change)
linmin: converged after 4 iterations.
- iteration 89: trace = 6.746817679536382 (3.36105e-08% change)
- large trace change predicted (1.96595e-07%)
- linmin: converged after 3 iterations.
- iteration 90: trace = 6.746817666272639 (1.96593e-07% change)
+ iteration 83: trace = 6.746817816412691 (8.72458e-08% change)
+ large trace change predicted (1.121e-06%)
+ linmin: converged after 17 iterations.
+ iteration 84: trace = 6.746817740783988 (1.12095e-06% change)
linmin: converged after 5 iterations.
- iteration 91: trace = 6.746817665247363 (1.51964e-08% change)
- large trace change predicted (1.41411e-07%)
+ iteration 85: trace = 6.746817736291042 (6.65936e-08% change)
+ large trace change predicted (5.27588e-07%)
linmin: converged after 4 iterations.
- iteration 92: trace = 6.746817655706721 (1.4141e-07% change)
- linmin: converged after 26 iterations.
- iteration 93: trace = 6.746817655067918 (9.46821e-09% change)
- large trace change predicted (1.33504e-07%)
- linmin: converged after 9 iterations.
- iteration 94: trace = 6.746817646060598 (1.33505e-07% change)
+ iteration 86: trace = 6.746817700696071 (5.27582e-07% change)
+ linmin: converged after 2 iterations.
+ iteration 87: trace = 6.746817697537579 (4.68145e-08% change)
+ large trace change predicted (2.42189e-07%)
linmin: converged after 3 iterations.
- iteration 95: trace = 6.746817642485677 (5.29868e-08% change)
- linmin: converged after 20 iterations.
- iteration 96: trace = 6.746817637600816 (7.24025e-08% change)
- linmin: converged after 4 iterations.
- iteration 97: trace = 6.746817635239473 (3.49994e-08% change)
- large trace change predicted (7.8164e-08%)
- linmin: converged after 5 iterations.
- iteration 98: trace = 6.746817629965874 (7.81642e-08% change)
+ iteration 88: trace = 6.746817681197692 (2.42187e-07% change)
linmin: converged after 10 iterations.
- iteration 99: trace = 6.746817626196352 (5.58711e-08% change)
- linmin: converged after 33 iterations.
- iteration 100: trace = 6.746817626000397 (2.9044e-09% change)
- large trace change predicted (2.59506e-08%)
- linmin: converged after 34 iterations.
- iteration 101: trace = 6.746817624249551 (2.59507e-08% change)
- linmin: converged after 11 iterations.
- iteration 102: trace = 6.746817624101108 (2.20019e-09% change)
- large trace change predicted (1.59764e-08%)
+ iteration 89: trace = 6.746817679551438 (2.44004e-08% change)
+ large trace change predicted (2.00116e-07%)
linmin: converged after 4 iterations.
- iteration 103: trace = 6.746817623023198 (1.59766e-08% change)
- linmin: converged after 6 iterations.
- iteration 104: trace = 6.746817622890795 (1.96246e-09% change)
- large trace change predicted (1.62697e-08%)
- linmin: converged after 6 iterations.
- iteration 105: trace = 6.746817621793102 (1.62698e-08% change)
- linmin: converged after 26 iterations.
- iteration 106: trace = 6.74681762168526 (1.59842e-09% change)
- large trace change predicted (1.71878e-08%)
+ iteration 90: trace = 6.746817666050124 (2.00114e-07% change)
+ linmin: converged after 7 iterations.
+ iteration 91: trace = 6.746817665195209 (1.26714e-08% change)
+ large trace change predicted (1.41807e-07%)
linmin: converged after 4 iterations.
- iteration 107: trace = 6.746817620525645 (1.71876e-08% change)
+ iteration 92: trace = 6.746817655627826 (1.41806e-07% change)
+ linmin: converged after 17 iterations.
+ iteration 93: trace = 6.746817651729666 (5.77778e-08% change)
+ linmin: converged after 3 iterations.
+ iteration 94: trace = 6.746817646131488 (8.29751e-08% change)
+ linmin: converged after 22 iterations.
+ iteration 95: trace = 6.746817644277099 (2.74854e-08% change)
+ large trace change predicted (9.75244e-08%)
linmin: converged after 6 iterations.
- iteration 108: trace = 6.746817620438056 (1.29823e-09% change)
- large trace change predicted (1.15917e-08%)
+ iteration 96: trace = 6.746817637697275 (9.75249e-08% change)
+ linmin: converged after 3 iterations.
+ iteration 97: trace = 6.746817631613324 (9.01751e-08% change)
linmin: converged after 4 iterations.
- iteration 109: trace = 6.746817619655988 (1.15917e-08% change)
- linmin: converged after 15 iterations.
- iteration 110: trace = 6.746817619613124 (6.35314e-10% change)
- large trace change predicted (5.76958e-09%)
+ iteration 98: trace = 6.746817629969141 (2.43698e-08% change)
+ large trace change predicted (5.62167e-08%)
+ linmin: converged after 7 iterations.
+ iteration 99: trace = 6.746817626176255 (5.62174e-08% change)
linmin: converged after 4 iterations.
- iteration 111: trace = 6.746817619223854 (5.7697e-09% change)
- linmin: converged after 15 iterations.
- iteration 112: trace = 6.746817619185846 (5.63344e-10% change)
- large trace change predicted (2.34418e-09%)
- linmin: converged after 19 iterations.
- iteration 113: trace = 6.746817619027684 (2.34424e-09% change)
- linmin: converged after 6 iterations.
- iteration 114: trace = 6.746817618906695 (1.79328e-09% change)
+ iteration 100: trace = 6.746817625998658 (2.6323e-09% change)
+ large trace change predicted (2.67258e-08%)
+ linmin: converged after 5 iterations.
+ iteration 101: trace = 6.746817624195511 (2.67259e-08% change)
+ linmin: converged after 18 iterations.
+ iteration 102: trace = 6.746817624092343 (1.52914e-09% change)
+ large trace change predicted (1.60312e-08%)
+ linmin: converged after 7 iterations.
+ iteration 103: trace = 6.746817623010754 (1.60311e-08% change)
linmin: converged after 4 iterations.
- iteration 115: trace = 6.746817618789834 (1.73209e-09% change)
- linmin: converged after 10 iterations.
- iteration 116: trace = 6.746817618601854 (2.78619e-09% change)
- linmin: converged after 22 iterations.
- iteration 117: trace = 6.746817618590867 (1.62844e-10% change)
- large trace change predicted (1.0965e-09%)
- linmin: converged after 10 iterations.
- iteration 118: trace = 6.746817618516902 (1.09631e-09% change)
- linmin: converged after 16 iterations.
- iteration 119: trace = 6.746817618507549 (1.38621e-10% change)
- large trace change predicted (1.28664e-09%)
- linmin: converged after 10 iterations.
- iteration 120: trace = 6.746817618420743 (1.28662e-09% change)
- linmin: converged after 11 iterations.
- iteration 121: trace = 6.746817618412694 (1.19309e-10% change)
- large trace change predicted (1.81309e-09%)
+ iteration 104: trace = 6.746817622436037 (8.51834e-09% change)
linmin: converged after 4 iterations.
- iteration 122: trace = 6.746817618290359 (1.81321e-09% change)
+ iteration 105: trace = 6.746817621785468 (9.64261e-09% change)
+ linmin: converged after 5 iterations.
+ iteration 106: trace = 6.74681762145442 (4.90673e-09% change)
+ large trace change predicted (1.3825e-08%)
+ linmin: converged after 11 iterations.
+ iteration 107: trace = 6.746817620521669 (1.3825e-08% change)
+ linmin: converged after 3 iterations.
+ iteration 108: trace = 6.74681762035762 (2.43151e-09% change)
+ large trace change predicted (1.04639e-08%)
+ linmin: converged after 3 iterations.
+ iteration 109: trace = 6.746817619651639 (1.04639e-08% change)
+ linmin: converged after 21 iterations.
+ iteration 110: trace = 6.746817619527318 (1.84265e-09% change)
+ large trace change predicted (4.56389e-09%)
+ linmin: converged after 5 iterations.
+ iteration 111: trace = 6.746817619219398 (4.56393e-09% change)
+ linmin: converged after 21 iterations.
+ iteration 112: trace = 6.746817619050921 (2.49714e-09% change)
+ linmin: converged after 13 iterations.
+ iteration 113: trace = 6.746817619023888 (4.00672e-10% change)
+ large trace change predicted (3.13756e-09%)
+ linmin: converged after 8 iterations.
+ iteration 114: trace = 6.746817618812205 (3.13753e-09% change)
+ linmin: converged after 30 iterations.
+ iteration 115: trace = 6.746817618787656 (3.63864e-10% change)
+ large trace change predicted (2.92371e-09%)
linmin: converged after 4 iterations.
- iteration 123: trace = 6.74681761827393 (2.43515e-10% change)
- large trace change predicted (1.07706e-09%)
- linmin: converged after 17 iterations.
- iteration 124: trace = 6.746817618201255 (1.07718e-09% change)
+ iteration 116: trace = 6.746817618590385 (2.92391e-09% change)
+ linmin: converged after 13 iterations.
+ iteration 117: trace = 6.746817618580838 (1.41504e-10% change)
+ large trace change predicted (1.13475e-09%)
+ linmin: converged after 6 iterations.
+ iteration 118: trace = 6.746817618504276 (1.13478e-09% change)
+ linmin: converged after 14 iterations.
+ iteration 119: trace = 6.746817618454823 (7.32981e-10% change)
linmin: converged after 4 iterations.
- iteration 125: trace = 6.746817618193226 (1.18993e-10% change)
- large trace change predicted (3.69866e-10%)
+ iteration 120: trace = 6.746817618415577 (5.81696e-10% change)
+ large trace change predicted (1.74193e-09%)
linmin: converged after 4 iterations.
- iteration 126: trace = 6.746817618168281 (3.69735e-10% change)
+ iteration 121: trace = 6.746817618298057 (1.74186e-09% change)
+ linmin: converged after 6 iterations.
+ iteration 122: trace = 6.746817618288061 (1.48165e-10% change)
+ large trace change predicted (1.20878e-09%)
linmin: converged after 3 iterations.
- iteration 127: trace = 6.74681761814764 (3.05941e-10% change)
- linmin: converged after 2 iterations.
- iteration 128: trace = 6.746817618140222 (1.09949e-10% change)
- linmin: converged after 7 iterations.
- iteration 129: trace = 6.746817618125428 (2.19266e-10% change)
- linmin: converged after 2 iterations.
- iteration 130: trace = 6.746817618121911 (5.2131e-11% change)
-Finished solving for bands 1 to 8 after 130 iterations.
+ iteration 123: trace = 6.746817618206498 (1.20891e-09% change)
+ linmin: converged after 18 iterations.
+ iteration 124: trace = 6.746817618200175 (9.37174e-11% change)
+Finished solving for bands 1 to 8 after 124 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: 1.8223114013671875
+elapsed time for k point: 5.664405584335327
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 3 iterations.
- iteration 1: trace = 6.925814787989312 (0.213096% change)
+ iteration 1: trace = 6.925815589740352 (0.213086% change)
linmin: converged after 5 iterations.
- iteration 2: trace = 6.912656654509076 (0.190167% change)
+ iteration 2: trace = 6.912657451418982 (0.190167% change)
linmin: converged after 3 iterations.
- iteration 3: trace = 6.904258493879119 (0.121563% change)
+ iteration 3: trace = 6.904259207642106 (0.121565% change)
linmin: converged after 5 iterations.
- iteration 4: trace = 6.896682648152434 (0.109787% change)
+ iteration 4: trace = 6.896683306528804 (0.109788% change)
linmin: converged after 3 iterations.
- iteration 5: trace = 6.893477746036274 (0.046481% change)
+ iteration 5: trace = 6.893478340658833 (0.0464819% change)
linmin: converged after 4 iterations.
- iteration 6: trace = 6.890274792224329 (0.0464743% change)
+ iteration 6: trace = 6.890275249404994 (0.0464763% change)
linmin: converged after 4 iterations.
- iteration 7: trace = 6.887461942209045 (0.0408318% change)
+ iteration 7: trace = 6.88746232226138 (0.0408329% change)
linmin: converged after 4 iterations.
- iteration 8: trace = 6.882497362695297 (0.0721074% change)
+ iteration 8: trace = 6.882497665665549 (0.0721085% change)
linmin: converged after 4 iterations.
- iteration 9: trace = 6.879290953215395 (0.0465987% change)
+ iteration 9: trace = 6.879291206270548 (0.0465995% change)
linmin: converged after 4 iterations.
- iteration 10: trace = 6.875157000383541 (0.0601108% change)
+ iteration 10: trace = 6.875157179961427 (0.0601118% change)
linmin: converged after 4 iterations.
- iteration 11: trace = 6.872798266999787 (0.034314% change)
+ iteration 11: trace = 6.872798467860802 (0.0343136% change)
linmin: converged after 3 iterations.
- iteration 12: trace = 6.870795086594073 (0.0291508% change)
+ iteration 12: trace = 6.870795223905797 (0.0291517% change)
linmin: converged after 4 iterations.
- iteration 13: trace = 6.86839591905275 (0.0349244% change)
+ iteration 13: trace = 6.868396093380295 (0.0349239% change)
linmin: converged after 4 iterations.
- iteration 14: trace = 6.866214460393963 (0.0317659% change)
+ iteration 14: trace = 6.866214612792483 (0.0317662% change)
linmin: converged after 3 iterations.
- iteration 15: trace = 6.864840114271255 (0.0200181% change)
+ iteration 15: trace = 6.864840271539301 (0.020018% change)
linmin: converged after 4 iterations.
- iteration 16: trace = 6.864049097411033 (0.0115234% change)
- large trace change predicted (0.0249857%)
+ iteration 16: trace = 6.864049240915596 (0.0115236% change)
+ large trace change predicted (0.0249863%)
linmin: converged after 3 iterations.
- iteration 17: trace = 6.862313319854823 (0.0252912% change)
+ iteration 17: trace = 6.862313424264353 (0.0252917% change)
linmin: converged after 3 iterations.
- iteration 18: trace = 6.860715281714024 (0.0232899% change)
+ iteration 18: trace = 6.860715394507212 (0.0232898% change)
linmin: converged after 3 iterations.
- iteration 19: trace = 6.859968867095816 (0.0108801% change)
+ iteration 19: trace = 6.859968989175805 (0.01088% change)
linmin: converged after 3 iterations.
- iteration 20: trace = 6.859391987730293 (0.00840971% change)
+ iteration 20: trace = 6.859392109237456 (0.00840972% change)
linmin: converged after 3 iterations.
- iteration 21: trace = 6.858827543470897 (0.00822912% change)
+ iteration 21: trace = 6.858827626036319 (0.00822969% change)
linmin: converged after 3 iterations.
- iteration 22: trace = 6.858164445695918 (0.00966827% change)
+ iteration 22: trace = 6.858164505689224 (0.0096686% change)
linmin: converged after 3 iterations.
- iteration 23: trace = 6.857406213742799 (0.0110565% change)
+ iteration 23: trace = 6.857406250653263 (0.0110568% change)
linmin: converged after 3 iterations.
- iteration 24: trace = 6.856832812668843 (0.00836213% change)
+ iteration 24: trace = 6.85683287536164 (0.00836175% change)
linmin: converged after 3 iterations.
- iteration 25: trace = 6.856491585992178 (0.00497657% change)
+ iteration 25: trace = 6.856491631888686 (0.00497682% change)
linmin: converged after 3 iterations.
- iteration 26: trace = 6.856252213955899 (0.00349123% change)
+ iteration 26: trace = 6.856252250422006 (0.00349137% change)
linmin: converged after 3 iterations.
- iteration 27: trace = 6.856048907759838 (0.00296531% change)
+ iteration 27: trace = 6.85604893183505 (0.00296549% change)
linmin: converged after 3 iterations.
- iteration 28: trace = 6.855800388343612 (0.00362489% change)
+ iteration 28: trace = 6.855800417232196 (0.00362482% change)
linmin: converged after 3 iterations.
- iteration 29: trace = 6.855651414321572 (0.00217299% change)
- linmin: converged after 4 iterations.
- iteration 30: trace = 6.85551244955388 (0.00202703% change)
- linmin: converged after 5 iterations.
- iteration 31: trace = 6.855355721707291 (0.00228618% change)
+ iteration 29: trace = 6.855651439140903 (0.00217305% change)
+ linmin: converged after 3 iterations.
+ iteration 30: trace = 6.855512464226376 (0.00202718% change)
linmin: converged after 3 iterations.
- iteration 32: trace = 6.855230964049745 (0.00181987% change)
+ iteration 31: trace = 6.855355734278182 (0.00228621% change)
linmin: converged after 3 iterations.
- iteration 33: trace = 6.855155361996394 (0.00110284% change)
+ iteration 32: trace = 6.855230972393667 (0.00181994% change)
+ linmin: converged after 3 iterations.
+ iteration 33: trace = 6.855155374530219 (0.00110278% change)
linmin: converged after 4 iterations.
- iteration 34: trace = 6.855094923209286 (0.000881658% change)
+ iteration 34: trace = 6.855094933253942 (0.000881695% change)
linmin: converged after 3 iterations.
- iteration 35: trace = 6.85502522022593 (0.00101681% change)
+ iteration 35: trace = 6.855025229467456 (0.00101682% change)
linmin: converged after 3 iterations.
- iteration 36: trace = 6.854917694881054 (0.00156857% change)
+ iteration 36: trace = 6.854917696537447 (0.00156869% change)
linmin: converged after 3 iterations.
- iteration 37: trace = 6.854865491725366 (0.000761546% change)
+ iteration 37: trace = 6.85486549815063 (0.000761476% change)
linmin: converged after 5 iterations.
- iteration 38: trace = 6.854810987470301 (0.000795121% change)
- linmin: converged after 4 iterations.
- iteration 39: trace = 6.854754433469378 (0.00082503% change)
+ iteration 38: trace = 6.854810992220552 (0.000795145% change)
linmin: converged after 4 iterations.
- iteration 40: trace = 6.854698864951357 (0.00081066% change)
+ iteration 39: trace = 6.854754440769444 (0.000824993% change)
linmin: converged after 4 iterations.
- iteration 41: trace = 6.854636658912089 (0.000907499% change)
+ iteration 40: trace = 6.85469886899431 (0.000810707% change)
linmin: converged after 4 iterations.
- iteration 42: trace = 6.854585363719888 (0.000748331% change)
+ iteration 41: trace = 6.854636662939932 (0.000907499% change)
+ linmin: converged after 3 iterations.
+ iteration 42: trace = 6.854585365974754 (0.000748357% change)
linmin: converged after 4 iterations.
- iteration 43: trace = 6.854557544507091 (0.000405849% change)
- linmin: converged after 5 iterations.
- iteration 44: trace = 6.854534989998289 (0.000329045% change)
+ iteration 43: trace = 6.854557548022263 (0.000405831% change)
+ linmin: converged after 3 iterations.
+ iteration 44: trace = 6.854534994185942 (0.000329035% change)
linmin: converged after 3 iterations.
- iteration 45: trace = 6.854507851821579 (0.000395916% change)
+ iteration 45: trace = 6.85450785550156 (0.000395924% change)
linmin: converged after 3 iterations.
- iteration 46: trace = 6.854474003069903 (0.000493819% change)
+ iteration 46: trace = 6.854474005050851 (0.000493843% change)
linmin: converged after 3 iterations.
- iteration 47: trace = 6.854448914350061 (0.00036602% change)
+ iteration 47: trace = 6.854448914649447 (0.000366045% change)
linmin: converged after 4 iterations.
- iteration 48: trace = 6.854430744342604 (0.000265084% change)
+ iteration 48: trace = 6.854430745914645 (0.000265065% change)
linmin: converged after 4 iterations.
- iteration 49: trace = 6.854409554440109 (0.000309142% change)
+ iteration 49: trace = 6.854409553926399 (0.000309173% change)
linmin: converged after 4 iterations.
- iteration 50: trace = 6.854386819508194 (0.000331684% change)
- linmin: converged after 5 iterations.
- iteration 51: trace = 6.854372357327968 (0.000210992% change)
+ iteration 50: trace = 6.85438682062453 (0.00033166% change)
linmin: converged after 3 iterations.
- iteration 52: trace = 6.854363722410995 (0.000125977% change)
+ iteration 51: trace = 6.854372357809184 (0.000211001% change)
linmin: converged after 3 iterations.
- iteration 53: trace = 6.854355940939491 (0.000113526% change)
- linmin: converged after 3 iterations.
- iteration 54: trace = 6.854348218710356 (0.000112662% change)
- linmin: converged after 3 iterations.
- iteration 55: trace = 6.854341815186448 (9.34228e-05% change)
+ iteration 52: trace = 6.854363723374869 (0.00012597% change)
+ linmin: converged after 4 iterations.
+ iteration 53: trace = 6.854355940929942 (0.00011354% change)
linmin: converged after 3 iterations.
- iteration 56: trace = 6.854336867354777 (7.21854e-05% change)
+ iteration 54: trace = 6.85434821874854 (0.000112661% change)
linmin: converged after 3 iterations.
- iteration 57: trace = 6.854332981396825 (5.66934e-05% change)
+ iteration 55: trace = 6.854341815286637 (9.34219e-05% change)
linmin: converged after 4 iterations.
- iteration 58: trace = 6.854328856513015 (6.01792e-05% change)
- linmin: converged after 11 iterations.
- iteration 59: trace = 6.854325493406678 (4.90654e-05% change)
+ iteration 56: trace = 6.854336867721653 (7.21815e-05% change)
+ linmin: converged after 5 iterations.
+ iteration 57: trace = 6.854332981607654 (5.66957e-05% change)
+ linmin: converged after 4 iterations.
+ iteration 58: trace = 6.854328856576943 (6.01814e-05% change)
+ linmin: converged after 4 iterations.
+ iteration 59: trace = 6.854325493483163 (4.90653e-05% change)
linmin: converged after 2 iterations.
- iteration 60: trace = 6.854320731349222 (6.94752e-05% change)
+ iteration 60: trace = 6.854320731159143 (6.94791e-05% change)
linmin: converged after 2 iterations.
- iteration 61: trace = 6.854317900690151 (4.12974e-05% change)
- linmin: converged after 14 iterations.
- iteration 62: trace = 6.854316466669672 (2.09214e-05% change)
+ iteration 61: trace = 6.854317900868841 (4.12921e-05% change)
+ linmin: converged after 3 iterations.
+ iteration 62: trace = 6.854316466823581 (2.09218e-05% change)
linmin: converged after 4 iterations.
- iteration 63: trace = 6.854314812370705 (2.41351e-05% change)
+ iteration 63: trace = 6.854314812695256 (2.41327e-05% change)
linmin: converged after 5 iterations.
- iteration 64: trace = 6.85431270814234 (3.06993e-05% change)
- linmin: converged after 5 iterations.
- iteration 65: trace = 6.854310570375801 (3.11886e-05% change)
+ iteration 64: trace = 6.854312708151092 (3.07039e-05% change)
+ linmin: converged after 4 iterations.
+ iteration 65: trace = 6.854310570389338 (3.11886e-05% change)
linmin: converged after 3 iterations.
- iteration 66: trace = 6.854309275721606 (1.88882e-05% change)
- linmin: converged after 5 iterations.
- iteration 67: trace = 6.854307864115552 (2.05944e-05% change)
+ iteration 66: trace = 6.85430927581082 (1.88871e-05% change)
linmin: converged after 4 iterations.
- iteration 68: trace = 6.854306225891643 (2.39006e-05% change)
+ iteration 67: trace = 6.854307864176373 (2.05948e-05% change)
+ linmin: converged after 3 iterations.
+ iteration 68: trace = 6.854306225951006 (2.39007e-05% change)
linmin: converged after 4 iterations.
- iteration 69: trace = 6.854304757601273 (2.14214e-05% change)
+ iteration 69: trace = 6.854304757710064 (2.14207e-05% change)
resetting CG direction...
- linmin: converged after 6 iterations.
- iteration 70: trace = 6.854304291819817 (6.79546e-06% change)
+ linmin: converged after 4 iterations.
+ iteration 70: trace = 6.854304291924876 (6.79551e-06% change)
linmin: converged after 2 iterations.
- iteration 71: trace = 6.854303980854112 (4.53679e-06% change)
+ iteration 71: trace = 6.854303980931975 (4.53719e-06% change)
linmin: converged after 2 iterations.
- iteration 72: trace = 6.854303707023925 (3.99501e-06% change)
+ iteration 72: trace = 6.854303707086157 (3.99524e-06% change)
+ linmin: converged after 6 iterations.
+ iteration 73: trace = 6.854303306312968 (5.84703e-06% change)
linmin: converged after 3 iterations.
- iteration 73: trace = 6.854303306250371 (5.84704e-06% change)
+ iteration 74: trace = 6.854303028530163 (4.05268e-06% change)
+ linmin: converged after 6 iterations.
+ iteration 75: trace = 6.85430285708269 (2.50131e-06% change)
+ linmin: converged after 2 iterations.
+ iteration 76: trace = 6.85430271647393 (2.05139e-06% change)
+ linmin: converged after 28 iterations.
+ iteration 77: trace = 6.854302589384792 (1.85415e-06% change)
linmin: converged after 4 iterations.
- iteration 74: trace = 6.854303028459787 (4.05279e-06% change)
- linmin: converged after 26 iterations.
- iteration 75: trace = 6.854302857028824 (2.50107e-06% change)
+ iteration 78: trace = 6.854302422075683 (2.44094e-06% change)
linmin: converged after 2 iterations.
- iteration 76: trace = 6.854302716407965 (2.05157e-06% change)
- linmin: converged after 21 iterations.
- iteration 77: trace = 6.854302589318486 (1.85416e-06% change)
- linmin: converged after 8 iterations.
- iteration 78: trace = 6.8543024219952 (2.44114e-06% change)
- linmin: converged after 3 iterations.
- iteration 79: trace = 6.854302178669798 (3.54997e-06% change)
+ iteration 79: trace = 6.854302178708359 (3.55058e-06% change)
linmin: converged after 2 iterations.
- iteration 80: trace = 6.854302043171542 (1.97684e-06% change)
- linmin: converged after 7 iterations.
- iteration 81: trace = 6.854301959866874 (1.21536e-06% change)
+ iteration 80: trace = 6.854302043218789 (1.97671e-06% change)
+ linmin: converged after 5 iterations.
+ iteration 81: trace = 6.854301959912175 (1.21539e-06% change)
+ linmin: converged after 6 iterations.
+ iteration 82: trace = 6.854301838226057 (1.77532e-06% change)
linmin: converged after 4 iterations.
- iteration 82: trace = 6.854301838195695 (1.77511e-06% change)
- linmin: converged after 3 iterations.
- iteration 83: trace = 6.854301701147671 (1.99945e-06% change)
+ iteration 83: trace = 6.854301701178418 (1.99944e-06% change)
+ linmin: converged after 7 iterations.
+ iteration 84: trace = 6.854301574170723 (1.85296e-06% change)
linmin: converged after 3 iterations.
- iteration 84: trace = 6.854301574144308 (1.8529e-06% change)
- linmin: converged after 5 iterations.
- iteration 85: trace = 6.854301492749324 (1.1875e-06% change)
+ iteration 85: trace = 6.854301492777619 (1.18747e-06% change)
linmin: converged after 2 iterations.
- iteration 86: trace = 6.854301369182877 (1.80276e-06% change)
- linmin: converged after 2 iterations.
- iteration 87: trace = 6.854301206101426 (2.37926e-06% change)
+ iteration 86: trace = 6.854301369197436 (1.80296e-06% change)
linmin: converged after 3 iterations.
- iteration 88: trace = 6.854301115055389 (1.32831e-06% change)
- linmin: converged after 8 iterations.
- iteration 89: trace = 6.854301061409414 (7.82661e-07% change)
- linmin: converged after 10 iterations.
- iteration 90: trace = 6.85430101058803 (7.41452e-07% change)
- linmin: converged after 25 iterations.
- iteration 91: trace = 6.854300954171511 (8.23082e-07% change)
- linmin: converged after 9 iterations.
- iteration 92: trace = 6.854300910074123 (6.43354e-07% change)
+ iteration 87: trace = 6.854301206123752 (2.37914e-06% change)
linmin: converged after 3 iterations.
- iteration 93: trace = 6.854300884300905 (3.76015e-07% change)
+ iteration 88: trace = 6.854301115069514 (1.32842e-06% change)
+ linmin: converged after 8 iterations.
+ iteration 89: trace = 6.85430106142502 (7.8264e-07% change)
linmin: converged after 2 iterations.
- iteration 94: trace = 6.854300873282391 (1.60753e-07% change)
- linmin: converged after 14 iterations.
- iteration 95: trace = 6.85430086333026 (1.45195e-07% change)
- linmin: converged after 5 iterations.
- iteration 96: trace = 6.8543008522905 (1.61063e-07% change)
- linmin: converged after 4 iterations.
- iteration 97: trace = 6.854300845276386 (1.02332e-07% change)
- linmin: converged after 4 iterations.
- iteration 98: trace = 6.854300839712233 (8.11775e-08% change)
- linmin: converged after 4 iterations.
- iteration 99: trace = 6.854300833149797 (9.57419e-08% change)
- linmin: converged after 17 iterations.
- iteration 100: trace = 6.854300824943884 (1.19719e-07% change)
- linmin: converged after 4 iterations.
- iteration 101: trace = 6.854300821443228 (5.10724e-08% change)
+ iteration 90: trace = 6.854301010593968 (7.41594e-07% change)
linmin: converged after 4 iterations.
- iteration 102: trace = 6.85430081941243 (2.96281e-08% change)
+ iteration 91: trace = 6.85430095417636 (8.23098e-07% change)
+ linmin: converged after 3 iterations.
+ iteration 92: trace = 6.854300910084266 (6.43276e-07% change)
+ linmin: converged after 11 iterations.
+ iteration 93: trace = 6.854300884311806 (3.76004e-07% change)
linmin: converged after 2 iterations.
- iteration 103: trace = 6.854300816196325 (4.6921e-08% change)
+ iteration 94: trace = 6.854300873286673 (1.6085e-07% change)
linmin: converged after 3 iterations.
- iteration 104: trace = 6.854300810980522 (7.60953e-08% change)
- linmin: converged after 8 iterations.
- iteration 105: trace = 6.854300805513105 (7.97662e-08% change)
- linmin: converged after 4 iterations.
- iteration 106: trace = 6.85430080083837 (6.82015e-08% change)
+ iteration 95: trace = 6.854300863332568 (1.45224e-07% change)
linmin: converged after 4 iterations.
- iteration 107: trace = 6.854300798695352 (3.12653e-08% change)
+ iteration 96: trace = 6.854300852298006 (1.60987e-07% change)
+ linmin: converged after 3 iterations.
+ iteration 97: trace = 6.854300845287994 (1.02272e-07% change)
linmin: converged after 4 iterations.
- iteration 108: trace = 6.854300795829086 (4.1817e-08% change)
- large trace change predicted (8.55129e-08%)
+ iteration 98: trace = 6.85430083971744 (8.12709e-08% change)
linmin: converged after 4 iterations.
- iteration 109: trace = 6.854300789967759 (8.55131e-08% change)
+ iteration 99: trace = 6.854300833154365 (9.57512e-08% change)
+ linmin: converged after 2 iterations.
+ iteration 100: trace = 6.85430082495542 (1.19618e-07% change)
linmin: converged after 5 iterations.
- iteration 110: trace = 6.854300784483071 (8.00182e-08% change)
+ iteration 101: trace = 6.854300821454061 (5.10827e-08% change)
linmin: converged after 4 iterations.
- iteration 111: trace = 6.854300782568909 (2.79264e-08% change)
- linmin: converged after 3 iterations.
- iteration 112: trace = 6.854300780884584 (2.45733e-08% change)
+ iteration 102: trace = 6.85430081941635 (2.97289e-08% change)
+ linmin: converged after 7 iterations.
+ iteration 103: trace = 6.854300816198153 (4.69515e-08% change)
+ linmin: converged after 6 iterations.
+ iteration 104: trace = 6.854300810981886 (7.61021e-08% change)
linmin: converged after 4 iterations.
- iteration 113: trace = 6.854300777946526 (4.28644e-08% change)
+ iteration 105: trace = 6.854300805513756 (7.97766e-08% change)
linmin: converged after 2 iterations.
- iteration 114: trace = 6.854300776030484 (2.79539e-08% change)
+ iteration 106: trace = 6.854300800838592 (6.82077e-08% change)
linmin: converged after 4 iterations.
- iteration 115: trace = 6.854300775076961 (1.39113e-08% change)
- linmin: converged after 5 iterations.
- iteration 116: trace = 6.854300773901541 (1.71486e-08% change)
- linmin: converged after 5 iterations.
- iteration 117: trace = 6.854300773062589 (1.22398e-08% change)
- linmin: converged after 4 iterations.
- iteration 118: trace = 6.854300772491557 (8.331e-09% change)
+ iteration 107: trace = 6.854300798699084 (3.12141e-08% change)
+ linmin: converged after 11 iterations.
+ iteration 108: trace = 6.854300795827652 (4.18924e-08% change)
+ large trace change predicted (8.57014e-08%)
linmin: converged after 3 iterations.
- iteration 119: trace = 6.854300772093142 (5.81264e-09% change)
- linmin: converged after 8 iterations.
- iteration 120: trace = 6.854300771871336 (3.23601e-09% change)
+ iteration 109: trace = 6.854300789953402 (8.57017e-08% change)
+ linmin: converged after 12 iterations.
+ iteration 110: trace = 6.854300784489385 (7.97166e-08% change)
+ linmin: converged after 3 iterations.
+ iteration 111: trace = 6.854300782589322 (2.77207e-08% change)
linmin: converged after 4 iterations.
- iteration 121: trace = 6.854300771709897 (2.35529e-09% change)
- linmin: converged after 8 iterations.
- iteration 122: trace = 6.854300771418055 (4.2578e-09% change)
+ iteration 112: trace = 6.854300780944767 (2.3993e-08% change)
linmin: converged after 4 iterations.
- iteration 123: trace = 6.854300771297972 (1.75194e-09% change)
- linmin: converged after 7 iterations.
- iteration 124: trace = 6.854300771230555 (9.83562e-10% change)
+ iteration 113: trace = 6.854300777947171 (4.37331e-08% change)
+ linmin: converged after 2 iterations.
+ iteration 114: trace = 6.854300776043421 (2.77745e-08% change)
+ linmin: converged after 23 iterations.
+ iteration 115: trace = 6.854300775108526 (1.36395e-08% change)
+ linmin: converged after 14 iterations.
+ iteration 116: trace = 6.854300773907577 (1.75211e-08% change)
+ linmin: converged after 15 iterations.
+ iteration 117: trace = 6.854300773061912 (1.23377e-08% change)
+ linmin: converged after 2 iterations.
+ iteration 118: trace = 6.854300772493293 (8.2958e-09% change)
+ linmin: converged after 2 iterations.
+ iteration 119: trace = 6.85430077209776 (5.77057e-09% change)
+ linmin: converged after 15 iterations.
+ iteration 120: trace = 6.854300771871914 (3.29495e-09% change)
linmin: converged after 4 iterations.
- iteration 125: trace = 6.854300771169864 (8.85444e-10% change)
+ iteration 121: trace = 6.854300771709916 (2.36346e-09% change)
linmin: converged after 3 iterations.
- iteration 126: trace = 6.854300771101607 (9.95833e-10% change)
- linmin: converged after 9 iterations.
- iteration 127: trace = 6.854300771046185 (8.08565e-10% change)
- linmin: converged after 5 iterations.
- iteration 128: trace = 6.854300771013497 (4.76905e-10% change)
+ iteration 122: trace = 6.854300771420593 (4.22105e-09% change)
+ linmin: converged after 2 iterations.
+ iteration 123: trace = 6.854300771299132 (1.77203e-09% change)
+ linmin: converged after 4 iterations.
+ iteration 124: trace = 6.854300771230592 (9.99967e-10% change)
+ linmin: converged after 2 iterations.
+ iteration 125: trace = 6.854300771169991 (8.84122e-10% change)
+ linmin: converged after 14 iterations.
+ iteration 126: trace = 6.854300771102302 (9.8754e-10% change)
+ linmin: converged after 3 iterations.
+ iteration 127: trace = 6.854300771046526 (8.13748e-10% change)
linmin: converged after 3 iterations.
- iteration 129: trace = 6.854300770988869 (3.59299e-10% change)
+ iteration 128: trace = 6.854300771013546 (4.81155e-10% change)
linmin: converged after 4 iterations.
- iteration 130: trace = 6.854300770973587 (2.22955e-10% change)
- linmin: converged after 17 iterations.
- iteration 131: trace = 6.854300770966001 (1.10687e-10% change)
- linmin: converged after 8 iterations.
- iteration 132: trace = 6.854300770959848 (8.97599e-11% change)
+ iteration 129: trace = 6.854300770988935 (3.59052e-10% change)
+ linmin: converged after 3 iterations.
+ iteration 130: trace = 6.854300770974049 (2.17176e-10% change)
+ linmin: converged after 6 iterations.
+ iteration 131: trace = 6.854300770966527 (1.09741e-10% change)
+ linmin: converged after 3 iterations.
+ iteration 132: trace = 6.854300770959911 (9.65239e-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: 2.584249496459961
-Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4165291233037411 at Vector3<0.5, 0.5, 0.0>
-Band 2 range: 0.47328232348726035 at Vector3<0.5, 0.0, 0.0> to 0.6699867281290457 at Vector3<0.0, 0.0, 0.0>
-Band 3 range: 0.6301802646818532 at Vector3<0.5, 0.5, 0.0> to 0.8037365323033597 at Vector3<0.5, 0.0, 0.0>
-Band 4 range: 0.701793255697757 at Vector3<0.5, 0.5, 0.0> to 0.8863448167711816 at Vector3<0.5, 0.1, 0.0>
-Band 5 range: 0.9047498485810733 at Vector3<0.5, 0.1, 0.0> to 1.0557468193007042 at Vector3<0.5, 0.5, 0.0>
-Band 6 range: 1.0077925606104412 at Vector3<0.19999999999999996, 0.19999999999999996, 0.0> to 1.1815403744341773 at Vector3<0.0, 0.0, 0.0>
-Band 7 range: 1.12242425197598 at Vector3<0.2, 0.0, 0.0> to 1.2351567679233695 at Vector3<0.3, 0.3, 0.0>
-Band 8 range: 1.2059728636717575 at Vector3<0.0, 0.0, 0.0> to 1.3135062523605918 at Vector3<0.30000000000000004, 0.0, 0.0>
-Gap from band 1 (0.4165291233037411) to band 2 (0.47328232348726035), 12.756230634746919%
-Gap from band 4 (0.8863448167711816) to band 5 (0.9047498485810733), 2.0551713056743437%
-total elapsed time for run: 28.57735323905945
+elapsed time for k point: 2.8816351890563965
+Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4165291233037562 at Vector3<0.5, 0.5, 0.0>
+Band 2 range: 0.4732823234872546 at Vector3<0.5, 0.0, 0.0> to 0.6699867281290579 at Vector3<0.0, 0.0, 0.0>
+Band 3 range: 0.6301802646818522 at Vector3<0.5, 0.5, 0.0> to 0.8037365323032282 at Vector3<0.5, 0.0, 0.0>
+Band 4 range: 0.7017932556977567 at Vector3<0.5, 0.5, 0.0> to 0.8863448167711838 at Vector3<0.5, 0.1, 0.0>
+Band 5 range: 0.9047498485810481 at Vector3<0.5, 0.1, 0.0> to 1.0557468193007027 at Vector3<0.5, 0.5, 0.0>
+Band 6 range: 1.0077925606102744 at Vector3<0.19999999999999996, 0.19999999999999996, 0.0> to 1.181540374434172 at Vector3<0.0, 0.0, 0.0>
+Band 7 range: 1.12242425197598 at Vector3<0.2, 0.0, 0.0> to 1.2351567679228732 at Vector3<0.3, 0.3, 0.0>
+Band 8 range: 1.2059728636717604 at Vector3<0.0, 0.0, 0.0> to 1.3135062523605918 at Vector3<0.30000000000000004, 0.0, 0.0>
+Gap from band 1 (0.4165291233037562) to band 2 (0.4732823234872546), 12.756230634742094%
+Gap from band 4 (0.8863448167711838) to band 5 (0.9047498485810481), 2.055171305671308%
+total elapsed time for run: 96.28697037696838
done
mu: 1-5, mean 1.50265, harm. mean 1.12084, 14.5508% > 1, 12.5663% "fill"
-Outputting /tmp/meepFBAM2J/test_run_te_with_mu_material-0-mu.h5...
+Outputting /tmp/meepYM7cP9/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/meepFBAM2J/test_run_te_with_mu_material-0: 28.58s
+./tmp/meepYM7cP9/test_run_te_with_mu_material-0: 96.33s
-/tmp/meepFBAM2J/test_run_tm-0
+/tmp/meepYM7cP9/test_run_tm-0
========================
Initializing eigensolver data
Computing 8 bands with 1e-12 tolerance
@@ -81277,7 +81283,7 @@
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: 0.0017087459564208984
+elapsed time for initialization: 0.0041048526763916016
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...
@@ -81413,7 +81419,7 @@
iteration 61: trace = 4.373720851032911 (3.63295e-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: 0.5840761661529541
+elapsed time for k point: 0.6609959602355957
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -81464,7 +81470,7 @@
iteration 23: trace = 4.290857263081686 (9.13875e-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: 0.31969285011291504
+elapsed time for k point: 0.3806731700897217
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 3 iterations.
@@ -81495,7 +81501,7 @@
iteration 13: trace = 4.208307958519127 (3.8665e-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: 0.20363569259643555
+elapsed time for k point: 0.144148588180542
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -81526,7 +81532,7 @@
iteration 13: trace = 4.150444015828809 (1.02932e-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: 0.04782414436340332
+elapsed time for k point: 0.11991524696350098
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -81557,7 +81563,7 @@
iteration 13: trace = 4.119598598621691 (1.07368e-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: 0.1466352939605713
+elapsed time for k point: 0.14795923233032227
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -81588,7 +81594,7 @@
iteration 13: trace = 4.110777242725125 (6.69573e-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: 0.054068803787231445
+elapsed time for k point: 0.1523890495300293
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -81617,7 +81623,7 @@
iteration 12: trace = 4.099489964274799 (2.50671e-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: 0.04593324661254883
+elapsed time for k point: 0.1312103271484375
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -81644,7 +81650,7 @@
iteration 11: trace = 4.07945289580348 (8.21458e-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: 0.04191708564758301
+elapsed time for k point: 0.11453747749328613
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -81673,7 +81679,7 @@
iteration 12: trace = 4.068759276129137 (1.19188e-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: 0.06740951538085938
+elapsed time for k point: 0.2215883731842041
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -81706,7 +81712,7 @@
iteration 14: trace = 4.075526949349669 (2.60644e-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: 0.05167126655578613
+elapsed time for k point: 0.1628437042236328
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -81741,7 +81747,7 @@
iteration 15: trace = 4.092150433618242 (9.10284e-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: 0.08484673500061035
+elapsed time for k point: 0.19058489799499512
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -81778,7 +81784,7 @@
iteration 16: trace = 4.046652183676479 (2.14217e-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: 0.059745073318481445
+elapsed time for k point: 0.35074806213378906
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -81807,7 +81813,7 @@
iteration 12: trace = 4.04451323639685 (3.20398e-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: 0.04679584503173828
+elapsed time for k point: 0.12117624282836914
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -81836,7 +81842,7 @@
iteration 12: trace = 4.113415259755486 (2.54788e-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: 0.07974410057067871
+elapsed time for k point: 0.1314697265625
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -81869,7 +81875,7 @@
iteration 14: trace = 4.240749642028247 (2.11324e-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: 0.05168271064758301
+elapsed time for k point: 0.13598155975341797
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 4 iterations.
@@ -82001,7 +82007,7 @@
iteration 59: trace = 4.373720851594716 (8.84783e-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: 0.16650676727294922
+.elapsed time for k point: 0.6432275772094727
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2809479535253731 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.41711424932466257 at Vector3<0.5, 0.0, 0.0> to 0.5460267793370305 at Vector3<0.0, 0.0, 0.0>
Band 3 range: 0.4961974527654614 at Vector3<0.5, 0.5, 0.0> to 0.5576576362977227 at Vector3<0.5, 0.0, 0.0>
@@ -82012,11 +82018,11 @@
Band 8 range: 0.8793510958294791 at Vector3<0.5, 0.5, 0.0> to 1.0825923841452936 at Vector3<0.0, 0.0, 0.0>
Gap from band 1 (0.2809479535253731) to band 2 (0.41711424932466257), 39.01265395643889%
Gap from band 4 (0.7133951516423507) to band 5 (0.7413109657068669), 3.838000504924635%
-total elapsed time for run: 2.0554745197296143
+total elapsed time for run: 3.8167724609375
done
-/tmp/meepFBAM2J/test_run_tm-0: 2.06s
+/tmp/meepYM7cP9/test_run_tm-0: 3.82s
-/tmp/meepFBAM2J/test_set_eigenvectors-0
+/tmp/meepYM7cP9/test_set_eigenvectors-0
========================
Initializing eigensolver data
Computing 8 bands with 1e-12 tolerance
@@ -82059,7 +82065,7 @@
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: 0.0016732215881347656
+elapsed time for initialization: 0.015459537506103516
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...
@@ -82170,7 +82176,7 @@
iteration 52: trace = 5.548117725324876 (4.74496e-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: 0.16530299186706543
+elapsed time for k point: 0.9402763843536377
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -82421,7 +82427,7 @@
iteration 121: trace = 5.540497242579415 (3.78965e-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: 0.4557943344116211
+elapsed time for k point: 2.27549147605896
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -82478,7 +82484,7 @@
iteration 26: trace = 5.499374946276072 (6.76061e-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: 0.09783554077148438
+elapsed time for k point: 0.26644277572631836
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -82531,7 +82537,7 @@
iteration 24: trace = 5.485459080087868 (6.14144e-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: 0.08742713928222656
+elapsed time for k point: 0.34723901748657227
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -82592,7 +82598,7 @@
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: 0.22276616096496582
+elapsed time for k point: 0.30844664573669434
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -82685,7 +82691,7 @@
iteration 44: trace = 5.538866868553965 (9.66452e-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: 0.39264392852783203
+elapsed time for k point: 0.5438129901885986
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -82756,7 +82762,7 @@
iteration 33: trace = 5.419797732958394 (9.1099e-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: 0.4688866138458252
+elapsed time for k point: 0.323089599609375
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -82817,7 +82823,7 @@
iteration 28: trace = 5.240853948733916 (3.69619e-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: 0.10118961334228516
+elapsed time for k point: 0.26929497718811035
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -82870,7 +82876,7 @@
iteration 24: trace = 5.09654427341062 (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: 0.08657312393188477
+elapsed time for k point: 0.23890423774719238
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -82922,7 +82928,7 @@
iteration 23: trace = 5.006436496341392 (6.08684e-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: 0.1859581470489502
+elapsed time for k point: 0.214341402053833
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -82974,7 +82980,7 @@
iteration 23: trace = 4.975984265381787 (5.44582e-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: 0.3735063076019287
+elapsed time for k point: 0.23296093940734863
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -83015,7 +83021,7 @@
iteration 18: trace = 5.036378479895265 (5.47222e-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: 0.06638050079345703
+elapsed time for k point: 0.1943655014038086
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -83062,7 +83068,7 @@
iteration 21: trace = 5.206566305891685 (3.93717e-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: 0.09281659126281738
+elapsed time for k point: 0.2551405429840088
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -83125,7 +83131,7 @@
iteration 29: trace = 5.417088766409226 (6.14845e-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: 0.10508489608764648
+elapsed time for k point: 0.24403786659240723
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -83198,7 +83204,7 @@
iteration 34: trace = 5.522267645664736 (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: 0.1244819164276123
+elapsed time for k point: 0.32837367057800293
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 5 iterations.
@@ -83393,7 +83399,7 @@
iteration 93: trace = 5.548117725324989 (3.6948e-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: 0.25489068031311035
+elapsed time for k point: 0.6922283172607422
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0>
Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0>
@@ -83405,7 +83411,7 @@
Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383%
Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081%
Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186%
-total elapsed time for run: 3.2848541736602783
+total elapsed time for run: 7.693256378173828
done
Initializing eigensolver data
Computing 8 bands with 1e-12 tolerance
@@ -83447,7 +83453,7 @@
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: 0.0016584396362304688
+elapsed time for initialization: 0.004832267761230469
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...
@@ -83558,7 +83564,7 @@
iteration 52: trace = 5.548117725324876 (4.74496e-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: 0.21925950050354004
+elapsed time for k point: 0.3631584644317627
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -83809,7 +83815,7 @@
iteration 121: trace = 5.540497242579415 (3.78965e-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: 0.6393897533416748
+elapsed time for k point: 1.8576312065124512
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -83866,7 +83872,7 @@
iteration 26: trace = 5.499374946276072 (6.76061e-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: 0.10166430473327637
+elapsed time for k point: 0.5290212631225586
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -83919,7 +83925,7 @@
iteration 24: trace = 5.485459080087868 (6.14144e-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: 0.08811306953430176
+elapsed time for k point: 0.526970386505127
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -83980,7 +83986,7 @@
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: 0.13018512725830078
+elapsed time for k point: 0.30340123176574707
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -84073,7 +84079,7 @@
iteration 44: trace = 5.538866868553965 (9.66452e-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: 0.1567370891571045
+elapsed time for k point: 0.796459436416626
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -84144,7 +84150,7 @@
iteration 33: trace = 5.419797732958394 (9.1099e-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: 0.17484807968139648
+elapsed time for k point: 1.1151065826416016
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -84205,7 +84211,7 @@
iteration 28: trace = 5.240853948733916 (3.69619e-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: 0.363659143447876
+elapsed time for k point: 0.4767608642578125
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -84258,7 +84264,7 @@
iteration 24: trace = 5.09654427341062 (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: 0.1123044490814209
+elapsed time for k point: 0.3412489891052246
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -84310,7 +84316,7 @@
iteration 23: trace = 5.006436496341392 (6.08684e-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: 0.1013495922088623
+elapsed time for k point: 0.30817317962646484
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -84362,7 +84368,7 @@
iteration 23: trace = 4.975984265381787 (5.44582e-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: 0.08259153366088867
+elapsed time for k point: 0.42491912841796875
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -84403,7 +84409,7 @@
iteration 18: trace = 5.036378479895265 (5.47222e-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: 0.0689094066619873
+elapsed time for k point: 1.0122346878051758
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -84450,7 +84456,7 @@
iteration 21: trace = 5.206566305891685 (3.93717e-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: 0.08019256591796875
+elapsed time for k point: 0.6293001174926758
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -84513,7 +84519,7 @@
iteration 29: trace = 5.417088766409226 (6.14845e-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: 0.19491815567016602
+elapsed time for k point: 0.8015284538269043
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -84586,7 +84592,7 @@
iteration 34: trace = 5.522267645664736 (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: 0.13351893424987793
+elapsed time for k point: 0.9473361968994141
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 5 iterations.
@@ -84781,7 +84787,7 @@
iteration 93: trace = 5.548117725324989 (3.6948e-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: 0.6698310375213623
+elapsed time for k point: 1.9903767108917236
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0>
Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0>
@@ -84793,7 +84799,7 @@
Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383%
Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081%
Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186%
-total elapsed time for run: 3.320626974105835
+total elapsed time for run: 12.432462692260742
done
Initializing eigensolver data
Computing 8 bands with 1e-12 tolerance
@@ -84835,7 +84841,7 @@
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: 0.001667022705078125
+elapsed time for initialization: 0.004652261734008789
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...
@@ -84946,7 +84952,7 @@
iteration 52: trace = 5.548117725324876 (4.74496e-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: 0.19902324676513672
+elapsed time for k point: 0.3805427551269531
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -85197,7 +85203,7 @@
iteration 121: trace = 5.540497242579415 (3.78965e-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: 1.1143653392791748
+elapsed time for k point: 1.1304490566253662
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -85254,7 +85260,7 @@
iteration 26: trace = 5.499374946276072 (6.76061e-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: 0.24817585945129395
+elapsed time for k point: 0.21662688255310059
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -85307,7 +85313,7 @@
iteration 24: trace = 5.485459080087868 (6.14144e-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: 0.08777737617492676
+elapsed time for k point: 0.19649744033813477
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -85368,7 +85374,7 @@
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: 0.11756110191345215
+elapsed time for k point: 0.22391057014465332
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -85461,7 +85467,7 @@
iteration 44: trace = 5.538866868553965 (9.66452e-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: 0.1605851650238037
+elapsed time for k point: 0.41349077224731445
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -85532,7 +85538,7 @@
iteration 33: trace = 5.419797732958394 (9.1099e-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: 0.6218256950378418
+elapsed time for k point: 0.28005194664001465
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -85593,7 +85599,7 @@
iteration 28: trace = 5.240853948733916 (3.69619e-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: 0.10480046272277832
+elapsed time for k point: 0.23554754257202148
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -85646,7 +85652,7 @@
iteration 24: trace = 5.09654427341062 (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: 0.08652424812316895
+elapsed time for k point: 0.1980445384979248
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -85698,7 +85704,7 @@
iteration 23: trace = 5.006436496341392 (6.08684e-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: 0.08362650871276855
+elapsed time for k point: 0.20022273063659668
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -85750,7 +85756,7 @@
iteration 23: trace = 4.975984265381787 (5.44582e-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: 0.08452391624450684
+elapsed time for k point: 0.20223355293273926
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -85791,7 +85797,7 @@
iteration 18: trace = 5.036378479895265 (5.47222e-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: 0.06566834449768066
+elapsed time for k point: 0.14835762977600098
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -85838,7 +85844,7 @@
iteration 21: trace = 5.206566305891685 (3.93717e-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: 0.07595157623291016
+elapsed time for k point: 0.1992201805114746
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -85901,7 +85907,7 @@
iteration 29: trace = 5.417088766409226 (6.14845e-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: 0.10407829284667969
+elapsed time for k point: 0.24471473693847656
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -85974,7 +85980,7 @@
iteration 34: trace = 5.522267645664736 (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: 0.12147235870361328
+elapsed time for k point: 0.28322744369506836
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 5 iterations.
@@ -86169,7 +86175,7 @@
iteration 93: trace = 5.548117725324989 (3.6948e-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: 0.28977394104003906
+.elapsed time for k point: 0.5818662643432617
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0>
Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0>
@@ -86181,11 +86187,11 @@
Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383%
Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081%
Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186%
-total elapsed time for run: 3.568908214569092
+total elapsed time for run: 5.14295220375061
done
-/tmp/meepFBAM2J/test_set_eigenvectors-0: 10.18s
+/tmp/meepYM7cP9/test_set_eigenvectors-0: 25.28s
-/tmp/meepFBAM2J/test_sq_rods-0
+/tmp/meepYM7cP9/test_sq_rods-0
========================
Initializing eigensolver data
Computing 8 bands with 1e-12 tolerance
@@ -86228,7 +86234,7 @@
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: 0.0015861988067626953
+elapsed time for initialization: 0.0050928592681884766
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...
@@ -86327,7 +86333,7 @@
iteration 46: trace = 5.62886416901306 (5.91397e-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: 0.1273210048675537
+elapsed time for k point: 0.31352710723876953
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -86606,7 +86612,7 @@
iteration 134: trace = 5.638515195759914 (7.1262e-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: 0.5702738761901855
+elapsed time for k point: 1.366684913635254
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -86665,7 +86671,7 @@
iteration 27: trace = 5.59517927181656 (4.68442e-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: 0.2760140895843506
+elapsed time for k point: 0.2115647792816162
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -86714,7 +86720,7 @@
iteration 22: trace = 5.577903304673051 (5.95367e-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: 0.10460400581359863
+elapsed time for k point: 0.1808643341064453
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -86773,7 +86779,7 @@
iteration 27: trace = 5.594031416858376 (7.94656e-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: 0.09775233268737793
+elapsed time for k point: 0.21437835693359375
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -86876,7 +86882,7 @@
iteration 48: trace = 5.637414337940067 (7.79403e-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: 0.1767258644104004
+elapsed time for k point: 0.38677525520324707
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -86947,7 +86953,7 @@
iteration 33: trace = 5.518941371312554 (7.71351e-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: 0.11842727661132812
+elapsed time for k point: 0.2742922306060791
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -87006,7 +87012,7 @@
iteration 27: trace = 5.342524465514539 (5.98157e-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: 0.26100587844848633
+elapsed time for k point: 0.21395611763000488
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -87057,7 +87063,7 @@
iteration 23: trace = 5.199556238067974 (9.55215e-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: 0.08313584327697754
+elapsed time for k point: 0.1868274211883545
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -87109,7 +87115,7 @@
iteration 23: trace = 5.11008677019096 (3.55439e-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: 0.6743268966674805
+elapsed time for k point: 0.20958614349365234
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -87159,7 +87165,7 @@
iteration 22: trace = 5.079827770073009 (8.13026e-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: 1.2006757259368896
+elapsed time for k point: 0.1933906078338623
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -87200,7 +87206,7 @@
iteration 18: trace = 5.139784911490274 (2.67329e-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: 0.49736785888671875
+elapsed time for k point: 0.14445877075195312
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -87245,7 +87251,7 @@
iteration 20: trace = 5.307924174329596 (7.08143e-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: 0.573063850402832
+elapsed time for k point: 0.16234731674194336
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -87302,7 +87308,7 @@
iteration 26: trace = 5.515690777956149 (3.99993e-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: 0.20827865600585938
+elapsed time for k point: 0.21699786186218262
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -87377,7 +87383,7 @@
iteration 35: trace = 5.620307970788173 (8.51309e-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: 0.5760695934295654
+elapsed time for k point: 0.2976107597351074
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 5 iterations.
@@ -87415,159 +87421,159 @@
linmin: converged after 6 iterations.
iteration 16: trace = 5.648626313452138 (0.0829615% change)
linmin: converged after 5 iterations.
- iteration 17: trace = 5.643821363409049 (0.0851002% change)
- linmin: converged after 5 iterations.
- iteration 18: trace = 5.638869397659223 (0.0877799% change)
+ iteration 17: trace = 5.64382136340905 (0.0851002% change)
linmin: converged after 5 iterations.
- iteration 19: trace = 5.635889317550877 (0.0528629% change)
- linmin: converged after 11 iterations.
- iteration 20: trace = 5.633934894998681 (0.0346842% change)
+ iteration 18: trace = 5.638869397659225 (0.0877799% change)
+ linmin: converged after 6 iterations.
+ iteration 19: trace = 5.635889317550872 (0.0528629% change)
+ linmin: converged after 7 iterations.
+ iteration 20: trace = 5.633934894998956 (0.0346842% change)
linmin: converged after 4 iterations.
- iteration 21: trace = 5.632971468096789 (0.0171019% change)
+ iteration 21: trace = 5.632971468096913 (0.0171019% change)
linmin: converged after 4 iterations.
- iteration 22: trace = 5.63216107652609 (0.0143876% change)
+ iteration 22: trace = 5.632161076526172 (0.0143876% change)
linmin: converged after 4 iterations.
- iteration 23: trace = 5.631516240217442 (0.0114498% change)
+ iteration 23: trace = 5.631516240217539 (0.0114498% change)
linmin: converged after 4 iterations.
- iteration 24: trace = 5.630961940342996 (0.0098433% change)
+ iteration 24: trace = 5.630961940343088 (0.0098433% change)
linmin: converged after 4 iterations.
- iteration 25: trace = 5.630499098063058 (0.00821993% change)
+ iteration 25: trace = 5.630499098063129 (0.00821993% change)
linmin: converged after 4 iterations.
- iteration 26: trace = 5.630122619620746 (0.00668664% change)
+ iteration 26: trace = 5.63012261962082 (0.00668664% change)
linmin: converged after 3 iterations.
- iteration 27: trace = 5.629867621853688 (0.00452927% change)
+ iteration 27: trace = 5.629867621853739 (0.00452927% change)
linmin: converged after 3 iterations.
- iteration 28: trace = 5.629720051219722 (0.00262124% change)
+ iteration 28: trace = 5.629720051219762 (0.00262124% change)
linmin: converged after 3 iterations.
- iteration 29: trace = 5.629605777063844 (0.00202986% change)
+ iteration 29: trace = 5.629605777063893 (0.00202986% change)
linmin: converged after 3 iterations.
- iteration 30: trace = 5.629504361182864 (0.00180149% change)
+ iteration 30: trace = 5.629504361182908 (0.00180149% change)
linmin: converged after 3 iterations.
- iteration 31: trace = 5.629394147465816 (0.00195781% change)
+ iteration 31: trace = 5.629394147465852 (0.00195781% change)
linmin: converged after 4 iterations.
- iteration 32: trace = 5.629290226406005 (0.00184606% change)
+ iteration 32: trace = 5.629290226406036 (0.00184606% change)
linmin: converged after 4 iterations.
- iteration 33: trace = 5.629198024992199 (0.0016379% change)
+ iteration 33: trace = 5.629198024992228 (0.0016379% change)
linmin: converged after 3 iterations.
- iteration 34: trace = 5.629133733964276 (0.00114211% change)
+ iteration 34: trace = 5.629133733964292 (0.00114211% change)
linmin: converged after 3 iterations.
- iteration 35: trace = 5.62908622297124 (0.000844023% change)
+ iteration 35: trace = 5.629086222971256 (0.000844023% change)
linmin: converged after 3 iterations.
- iteration 36: trace = 5.629045867570187 (0.000716911% change)
+ iteration 36: trace = 5.629045867570204 (0.000716911% change)
linmin: converged after 3 iterations.
- iteration 37: trace = 5.629010408060253 (0.00062994% change)
+ iteration 37: trace = 5.629010408060275 (0.00062994% change)
linmin: converged after 3 iterations.
- iteration 38: trace = 5.62897900457245 (0.000557888% change)
+ iteration 38: trace = 5.62897900457247 (0.000557888% change)
linmin: converged after 3 iterations.
- iteration 39: trace = 5.628952468543664 (0.000471419% change)
- linmin: converged after 3 iterations.
- iteration 40: trace = 5.628932212763313 (0.000359851% change)
- linmin: converged after 3 iterations.
- iteration 41: trace = 5.628917703762905 (0.000257758% change)
+ iteration 39: trace = 5.62895246854367 (0.000471419% change)
linmin: converged after 4 iterations.
- iteration 42: trace = 5.628904770133663 (0.000229771% change)
+ iteration 40: trace = 5.628932212763319 (0.000359851% change)
+ linmin: converged after 3 iterations.
+ iteration 41: trace = 5.628917703762922 (0.000257758% change)
linmin: converged after 4 iterations.
- iteration 43: trace = 5.628894295239232 (0.000186091% change)
+ iteration 42: trace = 5.628904770133662 (0.000229771% change)
linmin: converged after 4 iterations.
- iteration 44: trace = 5.628885548977001 (0.000155382% change)
+ iteration 43: trace = 5.628894295239233 (0.000186091% change)
linmin: converged after 4 iterations.
- iteration 45: trace = 5.628880125204432 (9.63561e-05% change)
+ iteration 44: trace = 5.628885548977002 (0.000155382% change)
linmin: converged after 4 iterations.
- iteration 46: trace = 5.628876480396267 (6.47519e-05% change)
+ iteration 45: trace = 5.628880125204436 (9.63561e-05% change)
linmin: converged after 5 iterations.
- iteration 47: trace = 5.628873855273834 (4.66367e-05% change)
+ iteration 46: trace = 5.628876480396275 (6.47519e-05% change)
linmin: converged after 4 iterations.
- iteration 48: trace = 5.628871914588438 (3.44773e-05% change)
+ iteration 47: trace = 5.628873855273834 (4.66367e-05% change)
linmin: converged after 5 iterations.
- iteration 49: trace = 5.628870173455866 (3.09322e-05% change)
+ iteration 48: trace = 5.628871914588441 (3.44773e-05% change)
linmin: converged after 5 iterations.
- iteration 50: trace = 5.628868872043185 (2.31203e-05% change)
- linmin: converged after 4 iterations.
- iteration 51: trace = 5.628867792579706 (1.91773e-05% change)
- linmin: converged after 4 iterations.
- iteration 52: trace = 5.628867067350905 (1.28841e-05% change)
- linmin: converged after 4 iterations.
- iteration 53: trace = 5.628866472395086 (1.05697e-05% change)
+ iteration 49: trace = 5.62887017345587 (3.09322e-05% change)
+ linmin: converged after 6 iterations.
+ iteration 50: trace = 5.628868872043183 (2.31203e-05% change)
+ linmin: converged after 5 iterations.
+ iteration 51: trace = 5.628867792579709 (1.91773e-05% change)
linmin: converged after 4 iterations.
- iteration 54: trace = 5.628866038937664 (7.70062e-06% change)
+ iteration 52: trace = 5.628867067350911 (1.28841e-05% change)
+ linmin: converged after 6 iterations.
+ iteration 53: trace = 5.628866472395092 (1.05697e-05% change)
+ linmin: converged after 5 iterations.
+ iteration 54: trace = 5.628866038918492 (7.70096e-06% change)
linmin: converged after 5 iterations.
- iteration 55: trace = 5.628865733630174 (5.42396e-06% change)
+ iteration 55: trace = 5.628865733610263 (5.42397e-06% change)
linmin: converged after 3 iterations.
- iteration 56: trace = 5.628865472838854 (4.63311e-06% change)
- linmin: converged after 6 iterations.
- iteration 57: trace = 5.628865257055493 (3.83351e-06% change)
+ iteration 56: trace = 5.628865472822635 (4.63304e-06% change)
linmin: converged after 2 iterations.
- iteration 58: trace = 5.628865067339921 (3.37041e-06% change)
- linmin: converged after 17 iterations.
- iteration 59: trace = 5.628864923854199 (2.54911e-06% change)
- linmin: converged after 4 iterations.
- iteration 60: trace = 5.628864787382382 (2.4245e-06% change)
- linmin: converged after 6 iterations.
- iteration 61: trace = 5.628864676737184 (1.96568e-06% change)
- linmin: converged after 12 iterations.
- iteration 62: trace = 5.628864577624377 (1.7608e-06% change)
+ iteration 57: trace = 5.628865257040933 (3.83348e-06% change)
linmin: converged after 2 iterations.
- iteration 63: trace = 5.628864491677724 (1.52689e-06% change)
+ iteration 58: trace = 5.628865067339544 (3.37015e-06% change)
linmin: converged after 3 iterations.
- iteration 64: trace = 5.628864423563048 (1.2101e-06% change)
+ iteration 59: trace = 5.628864923855851 (2.54907e-06% change)
linmin: converged after 3 iterations.
- iteration 65: trace = 5.628864369043746 (9.68567e-07% change)
+ iteration 60: trace = 5.628864787380481 (2.42456e-06% change)
linmin: converged after 3 iterations.
- iteration 66: trace = 5.628864328356191 (7.22838e-07% change)
- linmin: converged after 4 iterations.
- iteration 67: trace = 5.62886429490853 (5.94217e-07% change)
+ iteration 61: trace = 5.628864676735699 (1.96567e-06% change)
+ linmin: converged after 7 iterations.
+ iteration 62: trace = 5.628864577622471 (1.7608e-06% change)
+ linmin: converged after 2 iterations.
+ iteration 63: trace = 5.628864491673314 (1.52694e-06% change)
linmin: converged after 2 iterations.
- iteration 68: trace = 5.628864268958717 (4.61013e-07% change)
+ iteration 64: trace = 5.628864423558427 (1.2101e-06% change)
+ linmin: converged after 2 iterations.
+ iteration 65: trace = 5.628864369039819 (9.68554e-07% change)
+ linmin: converged after 3 iterations.
+ iteration 66: trace = 5.628864328352566 (7.22832e-07% change)
linmin: converged after 4 iterations.
- iteration 69: trace = 5.628864245244371 (4.21299e-07% change)
+ iteration 67: trace = 5.628864294905815 (5.94201e-07% change)
+ linmin: converged after 2 iterations.
+ iteration 68: trace = 5.628864268956475 (4.61005e-07% change)
+ linmin: converged after 2 iterations.
+ iteration 69: trace = 5.628864245242415 (4.21294e-07% change)
resetting CG direction...
- linmin: converged after 3 iterations.
- iteration 70: trace = 5.628864210816833 (6.11625e-07% change)
+ linmin: converged after 7 iterations.
+ iteration 70: trace = 5.628864210815122 (6.11621e-07% change)
linmin: converged after 2 iterations.
- iteration 71: trace = 5.62886418580456 (4.44357e-07% change)
+ iteration 71: trace = 5.628864185803895 (4.44339e-07% change)
linmin: converged after 4 iterations.
- iteration 72: trace = 5.628864176497276 (1.65349e-07% change)
- linmin: converged after 4 iterations.
- iteration 73: trace = 5.62886417232988 (7.40362e-08% change)
- linmin: converged after 2 iterations.
- iteration 74: trace = 5.628864170611609 (3.05261e-08% change)
+ iteration 72: trace = 5.628864176497 (1.65342e-07% change)
linmin: converged after 3 iterations.
- iteration 75: trace = 5.628864170125619 (8.63391e-09% change)
+ iteration 73: trace = 5.628864172329766 (7.40333e-08% change)
+ linmin: converged after 13 iterations.
+ iteration 74: trace = 5.628864170611541 (3.05252e-08% change)
+ linmin: converged after 2 iterations.
+ iteration 75: trace = 5.628864170125547 (8.63397e-09% change)
+ linmin: converged after 2 iterations.
+ iteration 76: trace = 5.628864169899412 (4.01741e-09% change)
linmin: converged after 10 iterations.
- iteration 76: trace = 5.628864169899462 (4.01781e-09% change)
- linmin: converged after 18 iterations.
- iteration 77: trace = 5.628864169746225 (2.72233e-09% change)
+ iteration 77: trace = 5.628864169746183 (2.72219e-09% change)
+ linmin: converged after 3 iterations.
+ iteration 78: trace = 5.62886416956559 (3.20834e-09% change)
linmin: converged after 2 iterations.
- iteration 78: trace = 5.628864169565629 (3.20839e-09% change)
+ iteration 79: trace = 5.628864169372521 (3.42999e-09% change)
+ linmin: converged after 12 iterations.
+ iteration 80: trace = 5.628864169215215 (2.79462e-09% change)
+ linmin: converged after 7 iterations.
+ iteration 81: trace = 5.628864169115518 (1.77118e-09% change)
linmin: converged after 6 iterations.
- iteration 79: trace = 5.628864169372546 (3.43023e-09% change)
- linmin: converged after 18 iterations.
- iteration 80: trace = 5.628864169215229 (2.79484e-09% change)
- linmin: converged after 4 iterations.
- iteration 81: trace = 5.628864169115528 (1.77124e-09% change)
+ iteration 82: trace = 5.628864169056966 (1.04021e-09% change)
linmin: converged after 5 iterations.
- iteration 82: trace = 5.628864169056972 (1.04028e-09% change)
+ iteration 83: trace = 5.628864169025804 (5.53606e-10% change)
linmin: converged after 4 iterations.
- iteration 83: trace = 5.628864169025802 (5.53748e-10% change)
- linmin: converged after 7 iterations.
- iteration 84: trace = 5.628864169015142 (1.89395e-10% change)
- linmin: converged after 8 iterations.
- iteration 85: trace = 5.628864169011921 (5.72147e-11% change)
+ iteration 84: trace = 5.628864169015136 (1.89522e-10% change)
+ linmin: converged after 6 iterations.
+ iteration 85: trace = 5.628864169011921 (5.712e-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: 0.2988450527191162
+elapsed time for k point: 0.5497608184814453
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.5036058015219023 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.44462291347067406 at Vector3<0.5, 0.0, 0.0> to 0.5943440245519601 at Vector3<0.5, 0.5, 0.0>
-Band 3 range: 0.5943566394470328 at Vector3<0.5, 0.5, 0.0> to 0.7808428121911944 at Vector3<0.0, 0.0, 0.0>
+Band 3 range: 0.5943566394470328 at Vector3<0.5, 0.5, 0.0> to 0.7808428121911954 at Vector3<0.0, 0.0, 0.0>
Band 4 range: 0.6793887413076377 at Vector3<0.5, 0.5, 0.0> to 0.8173893719542894 at Vector3<0.3, 0.3, 0.0>
-Band 5 range: 0.8304573822339196 at Vector3<0.3, 0.3, 0.0> to 0.9243716830585603 at Vector3<0.0, 0.0, 0.0>
+Band 5 range: 0.8304573822339196 at Vector3<0.3, 0.3, 0.0> to 0.9243716830585584 at Vector3<0.0, 0.0, 0.0>
Band 6 range: 0.8957817684117535 at Vector3<0.5, 0.5, 0.0> to 1.0331104139200427 at Vector3<0.5, 0.0, 0.0>
Band 7 range: 0.89578687453308 at Vector3<0.5, 0.5, 0.0> to 1.0958021492221042 at Vector3<0.5, 0.0, 0.0>
Band 8 range: 1.0974168095854093 at Vector3<0.5, 0.0, 0.0> to 1.1280127648119935 at Vector3<0.5, 0.5, 0.0>
Gap from band 2 (0.5943440245519601) to band 3 (0.5943566394470328), 0.0021224679105015963%
Gap from band 4 (0.8173893719542894) to band 5 (0.8304573822339196), 1.586071064729319%
Gap from band 7 (1.0958021492221042) to band 8 (1.0974168095854093), 0.1472411458802152%
-total elapsed time for run: 5.847047567367554
+total elapsed time for run: 5.131316184997559
done
Initializing eigensolver data
Computing 8 bands with 1e-12 tolerance
@@ -87609,7 +87615,7 @@
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: 0.0016753673553466797
+elapsed time for initialization: 0.004443168640136719
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...
@@ -87686,7 +87692,7 @@
iteration 35: trace = 4.483798274693346 (8.41272e-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: 0.672706127166748
+elapsed time for k point: 0.21392083168029785
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -87745,7 +87751,7 @@
iteration 27: trace = 4.398155533647458 (5.76144e-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: 0.09885120391845703
+elapsed time for k point: 0.2118673324584961
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -87776,7 +87782,7 @@
iteration 13: trace = 4.314465855715582 (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: 0.04820537567138672
+elapsed time for k point: 0.10857152938842773
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -87807,7 +87813,7 @@
iteration 13: trace = 4.256363888498331 (1.20194e-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: 0.047902584075927734
+elapsed time for k point: 0.1136484146118164
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -87838,7 +87844,7 @@
iteration 13: trace = 4.22609532442957 (1.06974e-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: 0.04956531524658203
+elapsed time for k point: 0.10497212409973145
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -87871,7 +87877,7 @@
iteration 14: trace = 4.217772179352384 (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: 0.05408930778503418
+elapsed time for k point: 0.19805073738098145
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -87898,7 +87904,7 @@
iteration 11: trace = 4.205423828027401 (3.81847e-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: 0.04261636734008789
+elapsed time for k point: 0.14238786697387695
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -87927,7 +87933,7 @@
iteration 12: trace = 4.182592281022643 (3.10033e-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: 0.045035600662231445
+elapsed time for k point: 0.0934288501739502
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -87956,7 +87962,7 @@
iteration 12: trace = 4.167811239279436 (1.56845e-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: 0.04443931579589844
+elapsed time for k point: 0.18250298500061035
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -87989,7 +87995,7 @@
iteration 14: trace = 4.169023318668046 (1.88116e-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: 0.0513453483581543
+elapsed time for k point: 0.20145583152770996
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -88024,7 +88030,7 @@
iteration 15: trace = 4.178672965088609 (1.76204e-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: 0.05531167984008789
+elapsed time for k point: 0.1330564022064209
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -88063,7 +88069,7 @@
iteration 17: trace = 4.141012578035558 (3.4682e-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: 0.13698053359985352
+elapsed time for k point: 0.13511109352111816
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -88092,7 +88098,7 @@
iteration 12: trace = 4.141330405700032 (2.93605e-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: 0.047028541564941406
+elapsed time for k point: 0.1202390193939209
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -88121,7 +88127,7 @@
iteration 12: trace = 4.213521375941403 (1.82335e-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: 0.12241220474243164
+elapsed time for k point: 0.10216426849365234
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -88152,7 +88158,7 @@
iteration 13: trace = 4.345426086018987 (7.15379e-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: 0.11492085456848145
+elapsed time for k point: 0.11397528648376465
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 4 iterations.
@@ -88285,7 +88291,7 @@
iteration 59: trace = 4.4837980241564 (6.18425e-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: 0.430591344833374
+.elapsed time for k point: 0.4030263423919678
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.28590577911965465 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.42065733839975067 at Vector3<0.5, 0.0, 0.0> to 0.5503360754831275 at Vector3<0.0, 0.0, 0.0>
Band 3 range: 0.502983097836598 at Vector3<0.5, 0.5, 0.0> to 0.5671632878128122 at Vector3<0.5, 0.0, 0.0>
@@ -88296,11 +88302,11 @@
Band 8 range: 0.8929933495598105 at Vector3<0.5, 0.5, 0.0> to 1.0893776820093328 at Vector3<0.0, 0.0, 0.0>
Gap from band 1 (0.28590577911965465) to band 2 (0.42065733839975067), 38.1428228954776%
Gap from band 4 (0.720091820456399) to band 5 (0.7472029910480827), 3.695395142014508%
-total elapsed time for run: 2.065129280090332
+total elapsed time for run: 2.585867166519165
done
-/tmp/meepFBAM2J/test_sq_rods-0: 7.91s
+/tmp/meepYM7cP9/test_sq_rods-0: 7.72s
-/tmp/meepFBAM2J/test_strip-0
+/tmp/meepYM7cP9/test_strip-0
========================
Initializing eigensolver data
Computing 4 bands with 1e-12 tolerance
@@ -88342,7 +88348,7 @@
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: 0.004653215408325195
+elapsed time for initialization: 0.01024317741394043
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...
@@ -88431,7 +88437,7 @@
iteration 41: trace = 0.2686493130629787 (6.31463e-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: 0.7212982177734375
+elapsed time for k point: 0.7670292854309082
zparity:, 1, 0.9918457643228179, -0.9993165778921195, 0.9263952713814154, 0.7342879854782446
yparity:, 1, -0.9999999941669406, 0.9999999948774738, 0.9999993171394717, -0.999990344073027
solve_kpoint (0.39,0,0):
@@ -88498,7 +88504,7 @@
iteration 30: trace = 0.6068839394817219 (4.76005e-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: 0.2156062126159668
+elapsed time for k point: 0.6967775821685791
zparity:, 2, 0.8497976290471405, -0.8562083115818881, 0.6135047144631055, 0.704049364345392
yparity:, 2, -0.9999999782411441, 0.9999997901628067, 1.0000058683415471, -0.9999353452681622
solve_kpoint (0.68,0,0):
@@ -88571,7 +88577,7 @@
iteration 33: trace = 1.207704486916822 (5.62602e-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: 0.6041355133056641
+elapsed time for k point: 0.7844521999359131
zparity:, 3, 0.6430471097763378, -0.5132970564866739, 0.749333227900428, -0.5174581393558557
yparity:, 3, -1.0000092437102697, 0.9999867307863303, -0.9999773484878274, 0.999973952733607
solve_kpoint (0.97,0,0):
@@ -88634,7 +88640,7 @@
iteration 28: trace = 1.883192742813693 (5.87421e-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: 0.3038296699523926
+elapsed time for k point: 0.6147840023040771
zparity:, 4, 0.9505599456722603, -0.7953782494253178, 0.29095932960240484, -0.2599400191575976
yparity:, 4, -0.9999756485608305, 0.9999734198097727, -0.9999951573073894, 1.0000024021439267
solve_kpoint (1.26,0,0):
@@ -88747,7 +88753,7 @@
iteration 53: trace = 2.604105949809355 (7.30057e-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: 0.3791208267211914
+elapsed time for k point: 2.3251848220825195
zparity:, 5, 0.989433203648185, -0.941034559794807, -0.9057097520615617, 0.12590511638581192
yparity:, 5, -0.9999341958047732, 0.9999920496324087, -0.9999957145769162, 1.000021444719625
solve_kpoint (1.55,0,0):
@@ -88812,7 +88818,7 @@
iteration 29: trace = 3.170970083323875 (9.73196e-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: 0.2384049892425537
+elapsed time for k point: 0.6946964263916016
zparity:, 6, 0.9953267395054749, -0.9730766670048566, -0.9862479112199617, 0.7878496622990012
yparity:, 6, -0.9999079119736324, 0.9999964725104156, -1.0000003774905901, 1.0001762821171216
solve_kpoint (1.84,0,0):
@@ -88885,7 +88891,7 @@
iteration 32: trace = 3.666115155387478 (3.66792e-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: 0.3878800868988037
+elapsed time for k point: 0.8725800514221191
zparity:, 7, 0.9973241081198855, -0.9843536270515871, -0.9920656947486447, 0.9432892229032792
yparity:, 7, -0.9998843493066418, 0.9999987176028815, -1.000004228955011, 1.0002512950943228
solve_kpoint (2.13,0,0):
@@ -88990,258 +88996,276 @@
linmin: converged after 16 iterations.
iteration 48: trace = 4.163145643304694 (1.80198e-05% change)
linmin: converged after 5 iterations.
- switching to approximate line minimization (decrease time by 79.5112%)
iteration 49: trace = 4.163144891337117 (1.80625e-05% change)
- iteration 50: trace = 4.163144137514863 (1.8107e-05% change)
- iteration 51: trace = 4.163143381941426 (1.81491e-05% change)
- iteration 52: trace = 4.163142623825554 (1.82102e-05% change)
- iteration 53: trace = 4.163141863091526 (1.82731e-05% change)
- iteration 54: trace = 4.163141099662234 (1.83378e-05% change)
- iteration 55: trace = 4.163140333459408 (1.84044e-05% change)
- iteration 56: trace = 4.163139564403941 (1.8473e-05% change)
- iteration 57: trace = 4.163138792415885 (1.85434e-05% change)
- iteration 58: trace = 4.163138017414674 (1.86158e-05% change)
- iteration 59: trace = 4.163137239319036 (1.86901e-05% change)
- iteration 60: trace = 4.163136458047249 (1.87664e-05% change)
- iteration 61: trace = 4.16313567351715 (1.88447e-05% change)
- iteration 62: trace = 4.163134885646228 (1.89249e-05% change)
- iteration 63: trace = 4.163134094351706 (1.90072e-05% change)
- iteration 64: trace = 4.163133299550624 (1.90914e-05% change)
- iteration 65: trace = 4.163132501159859 (1.91776e-05% change)
- iteration 66: trace = 4.16313169909625 (1.92659e-05% change)
- iteration 67: trace = 4.163130893276701 (1.93561e-05% change)
- iteration 68: trace = 4.163130083618064 (1.94483e-05% change)
- iteration 69: trace = 4.163129270037484 (1.95425e-05% change)
- resetting CG direction...
- switching back to exact line minimization
- large trace change predicted (0.200612%)
+ linmin: converged after 7 iterations.
+ iteration 50: trace = 4.163144137514846 (1.8107e-05% change)
+ linmin: converged after 5 iterations.
+ iteration 51: trace = 4.163143381759674 (1.81535e-05% change)
+ linmin: converged after 8 iterations.
+ iteration 52: trace = 4.163142623991929 (1.82018e-05% change)
+ linmin: converged after 9 iterations.
+ iteration 53: trace = 4.163141864130939 (1.82521e-05% change)
+ linmin: converged after 5 iterations.
+ iteration 54: trace = 4.163141102094985 (1.83043e-05% change)
+ linmin: converged after 11 iterations.
+ iteration 55: trace = 4.163140337801628 (1.83586e-05% change)
+ linmin: converged after 11 iterations.
+ iteration 56: trace = 4.163139571167647 (1.84148e-05% change)
+ linmin: converged after 12 iterations.
+ iteration 57: trace = 4.163138802109344 (1.8473e-05% change)
+ linmin: converged after 9 iterations.
+ iteration 58: trace = 4.163138030542482 (1.85333e-05% change)
+ linmin: converged after 6 iterations.
+ iteration 59: trace = 4.16313725638252 (1.85956e-05% change)
+ linmin: converged after 17 iterations.
+ iteration 60: trace = 4.163136479544573 (1.86599e-05% change)
+ linmin: converged after 4 iterations.
+ iteration 61: trace = 4.163135699943616 (1.87263e-05% change)
+ linmin: converged after 10 iterations.
+ iteration 62: trace = 4.163134917494516 (1.87947e-05% change)
+ linmin: converged after 10 iterations.
+ iteration 63: trace = 4.163134132112027 (1.88652e-05% change)
+ linmin: converged after 8 iterations.
+ iteration 64: trace = 4.163133343710971 (1.89377e-05% change)
+ linmin: converged after 7 iterations.
+ iteration 65: trace = 4.163132552206249 (1.90122e-05% change)
linmin: converged after 3 iterations.
- iteration 70: trace = 4.154754658417025 (0.201364% change)
+ iteration 66: trace = 4.16313175751296 (1.90888e-05% change)
+ linmin: converged after 6 iterations.
+ iteration 67: trace = 4.163130959546328 (1.91675e-05% change)
+ linmin: converged after 5 iterations.
+ iteration 68: trace = 4.163130158221916 (1.92481e-05% change)
linmin: converged after 4 iterations.
- iteration 71: trace = 4.151731269604584 (0.0727959% change)
+ iteration 69: trace = 4.163129353455564 (1.93308e-05% change)
+ resetting CG direction...
+ large trace change predicted (0.200481%)
linmin: converged after 4 iterations.
- iteration 72: trace = 4.150328240387421 (0.0337995% change)
- linmin: converged after 3 iterations.
- iteration 73: trace = 4.14956486373791 (0.0183949% change)
+ iteration 70: trace = 4.154754245510407 (0.201376% change)
linmin: converged after 4 iterations.
- iteration 74: trace = 4.149045718210945 (0.0125116% change)
- linmin: converged after 5 iterations.
- iteration 75: trace = 4.148541212773002 (0.0121603% change)
- linmin: converged after 3 iterations.
- iteration 76: trace = 4.147913444774686 (0.0151334% change)
+ iteration 71: trace = 4.15173076788249 (0.072798% change)
linmin: converged after 4 iterations.
- iteration 77: trace = 4.146963677401492 (0.0229001% change)
+ iteration 72: trace = 4.150327717100708 (0.0338001% change)
+ linmin: converged after 3 iterations.
+ iteration 73: trace = 4.149564335379193 (0.018395% change)
+ linmin: converged after 5 iterations.
+ iteration 74: trace = 4.149045201641229 (0.0125113% change)
+ linmin: converged after 7 iterations.
+ iteration 75: trace = 4.148540725452632 (0.0121596% change)
linmin: converged after 4 iterations.
- iteration 78: trace = 4.14541984175998 (0.037235% change)
+ iteration 76: trace = 4.147913016108395 (0.015132% change)
+ linmin: converged after 5 iterations.
+ iteration 77: trace = 4.146963344459174 (0.0228978% change)
+ linmin: converged after 5 iterations.
+ iteration 78: trace = 4.145419666151612 (0.0372312% change)
linmin: converged after 5 iterations.
- iteration 79: trace = 4.143768480251383 (0.0398437% change)
+ iteration 79: trace = 4.143768429829017 (0.0398407% change)
linmin: converged after 4 iterations.
- iteration 80: trace = 4.142813635908667 (0.0230456% change)
- linmin: converged after 3 iterations.
- iteration 81: trace = 4.142427722036522 (0.00931569% change)
+ iteration 80: trace = 4.14281362387139 (0.0230446% change)
+ linmin: converged after 4 iterations.
+ iteration 81: trace = 4.142427720615804 (0.00931544% change)
linmin: converged after 3 iterations.
- iteration 82: trace = 4.142309329185445 (0.0028581% change)
+ iteration 82: trace = 4.142309327545611 (0.0028581% change)
linmin: converged after 3 iterations.
- iteration 83: trace = 4.142270293234598 (0.000942376% change)
+ iteration 83: trace = 4.142270291880828 (0.000942369% change)
linmin: converged after 3 iterations.
- iteration 84: trace = 4.142259229660712 (0.00026709% change)
- linmin: converged after 4 iterations.
- iteration 85: trace = 4.142254099857186 (0.000123841% change)
+ iteration 84: trace = 4.142259228294336 (0.00026709% change)
linmin: converged after 4 iterations.
- iteration 86: trace = 4.14225182676353 (5.48758e-05% change)
+ iteration 85: trace = 4.142254098503172 (0.00012384% change)
linmin: converged after 4 iterations.
- iteration 87: trace = 4.142250855730689 (2.34422e-05% change)
- linmin: converged after 2 iterations.
- iteration 88: trace = 4.142250459356503 (9.56905e-06% change)
+ iteration 86: trace = 4.14225182546923 (5.48743e-05% change)
linmin: converged after 5 iterations.
- iteration 89: trace = 4.142250017004796 (1.0679e-05% change)
- linmin: converged after 6 iterations.
- iteration 90: trace = 4.142249200470664 (1.97123e-05% change)
+ iteration 87: trace = 4.142250854513584 (2.34403e-05% change)
+ linmin: converged after 2 iterations.
+ iteration 88: trace = 4.14225045821334 (9.56727e-06% change)
linmin: converged after 5 iterations.
- iteration 91: trace = 4.142248059937437 (2.75342e-05% change)
+ iteration 89: trace = 4.142250015988236 (1.0676e-05% change)
+ linmin: converged after 4 iterations.
+ iteration 90: trace = 4.142249199717005 (1.9706e-05% change)
linmin: converged after 5 iterations.
- iteration 92: trace = 4.142246315297768 (4.21182e-05% change)
+ iteration 91: trace = 4.142248059500087 (2.75265e-05% change)
+ linmin: converged after 6 iterations.
+ iteration 92: trace = 4.142246315184003 (4.21104e-05% change)
linmin: converged after 5 iterations.
- iteration 93: trace = 4.142245417605519 (2.16716e-05% change)
- linmin: converged after 3 iterations.
- iteration 94: trace = 4.142245181167817 (5.70796e-06% change)
+ iteration 93: trace = 4.142245417573851 (2.16696e-05% change)
+ linmin: converged after 4 iterations.
+ iteration 94: trace = 4.142245181152836 (5.70756e-06% change)
+ linmin: converged after 7 iterations.
+ iteration 95: trace = 4.142245107963932 (1.76689e-06% change)
linmin: converged after 2 iterations.
- iteration 95: trace = 4.142245107972046 (1.76706e-06% change)
+ iteration 96: trace = 4.142245088102365 (4.79488e-07% change)
linmin: converged after 2 iterations.
- iteration 96: trace = 4.142245088107263 (4.79566e-07% change)
+ iteration 97: trace = 4.142245076893739 (2.70593e-07% change)
linmin: converged after 2 iterations.
- iteration 97: trace = 4.1422450768963 (2.70649e-07% change)
+ iteration 98: trace = 4.142245071669429 (1.26123e-07% change)
+ linmin: converged after 18 iterations.
+ iteration 99: trace = 4.14224506975574 (4.61993e-08% change)
linmin: converged after 2 iterations.
- iteration 98: trace = 4.142245071671102 (1.26144e-07% change)
- linmin: converged after 4 iterations.
- iteration 99: trace = 4.142245069757145 (4.62058e-08% change)
+ iteration 100: trace = 4.142245069000498 (1.82327e-08% change)
linmin: converged after 2 iterations.
- iteration 100: trace = 4.142245069001788 (1.82354e-08% change)
+ iteration 101: trace = 4.142245068687292 (7.56125e-09% change)
linmin: converged after 2 iterations.
- iteration 101: trace = 4.142245068688526 (7.56262e-09% change)
+ iteration 102: trace = 4.142245068426465 (6.29675e-09% change)
linmin: converged after 2 iterations.
- iteration 102: trace = 4.1422450684276 (6.29913e-09% change)
- linmin: converged after 3 iterations.
- iteration 103: trace = 4.142245068026302 (9.68795e-09% change)
+ iteration 103: trace = 4.142245068025394 (9.68246e-09% change)
linmin: converged after 2 iterations.
- iteration 104: trace = 4.142245067242191 (1.89296e-08% change)
+ iteration 104: trace = 4.142245067241641 (1.8921e-08% change)
linmin: converged after 2 iterations.
- iteration 105: trace = 4.142245066287717 (2.30424e-08% change)
- linmin: converged after 19 iterations.
- iteration 106: trace = 4.142245065572606 (1.72639e-08% change)
+ iteration 105: trace = 4.142245066287526 (2.30338e-08% change)
linmin: converged after 2 iterations.
- iteration 107: trace = 4.14224506525974 (7.55306e-09% change)
+ iteration 106: trace = 4.142245065572538 (1.72609e-08% change)
linmin: converged after 2 iterations.
- iteration 108: trace = 4.142245065162634 (2.34427e-09% change)
+ iteration 107: trace = 4.142245065259723 (7.55184e-09% change)
linmin: converged after 4 iterations.
- iteration 109: trace = 4.142245065142538 (4.85167e-10% change)
+ iteration 108: trace = 4.142245065162617 (2.34427e-09% change)
linmin: converged after 2 iterations.
- iteration 110: trace = 4.142245065136626 (1.42718e-10% change)
+ iteration 109: trace = 4.142245065142509 (4.85446e-10% change)
linmin: converged after 3 iterations.
- iteration 111: trace = 4.142245065134211 (5.83007e-11% change)
+ iteration 110: trace = 4.142245065136625 (1.42053e-10% change)
+ linmin: converged after 3 iterations.
+ iteration 111: trace = 4.142245065134212 (5.82578e-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: 1.0437777042388916
-zparity:, 8, 0.9982486290502234, -0.9895791223067464, -0.9942480254111825, -0.9858374395420105
-yparity:, 8, -0.9998633636229571, 1.0000002772664356, -1.00000949461967, -0.9998446078239382
+elapsed time for k point: 3.398040533065796
+zparity:, 8, 0.9982486290504695, -0.9895791222995164, -0.994248025412605, -0.9858374395349168
+yparity:, 8, -0.9998633635883192, 1.0000002772667547, -1.0000094946113083, -0.999844607741168
solve_kpoint (2.42,0,0):
Solving for bands 1 to 4...
linmin: converged after 5 iterations.
- iteration 1: trace = 4.665766465874785 (0.565815% change)
+ iteration 1: trace = 4.66576646587618 (0.565815% change)
linmin: converged after 4 iterations.
- iteration 2: trace = 4.659489395826571 (0.134625% change)
+ iteration 2: trace = 4.659489395826913 (0.134625% change)
linmin: converged after 4 iterations.
- iteration 3: trace = 4.658891363438777 (0.0128355% change)
+ iteration 3: trace = 4.65889136343898 (0.0128355% change)
linmin: converged after 4 iterations.
- iteration 4: trace = 4.658710963539824 (0.00387224% change)
+ iteration 4: trace = 4.658710963539905 (0.00387224% change)
linmin: converged after 4 iterations.
- iteration 5: trace = 4.658687038855414 (0.000513549% change)
+ iteration 5: trace = 4.658687038855449 (0.000513549% change)
linmin: converged after 5 iterations.
- iteration 6: trace = 4.658683256679787 (8.11855e-05% change)
+ iteration 6: trace = 4.658683256679821 (8.11855e-05% change)
linmin: converged after 2 iterations.
- iteration 7: trace = 4.658682393128439 (1.85364e-05% change)
+ iteration 7: trace = 4.658682393128453 (1.85364e-05% change)
linmin: converged after 2 iterations.
- iteration 8: trace = 4.658682225170738 (3.60526e-06% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 4.658682176904258 (1.03605e-06% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 4.658682160894769 (3.43648e-07% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 4.658682157650999 (6.96285e-08% change)
+ iteration 8: trace = 4.658682225170777 (3.60526e-06% change)
+ linmin: converged after 9 iterations.
+ iteration 9: trace = 4.658682176904296 (1.03605e-06% change)
+ linmin: converged after 25 iterations.
+ iteration 10: trace = 4.658682160894794 (3.43649e-07% change)
linmin: converged after 4 iterations.
- iteration 12: trace = 4.658682156823346 (1.77658e-08% change)
+ iteration 11: trace = 4.658682157651022 (6.96285e-08% change)
+ linmin: converged after 17 iterations.
+ iteration 12: trace = 4.658682156823374 (1.77657e-08% change)
linmin: converged after 2 iterations.
- iteration 13: trace = 4.65868215662481 (4.26164e-09% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 4.658682156534671 (1.93485e-09% change)
+ iteration 13: trace = 4.658682156624822 (4.26196e-09% change)
linmin: converged after 2 iterations.
- iteration 15: trace = 4.658682156472839 (1.32725e-09% change)
- linmin: converged after 3 iterations.
- iteration 16: trace = 4.658682156406841 (1.41666e-09% change)
- linmin: converged after 11 iterations.
- iteration 17: trace = 4.658682156300639 (2.27966e-09% change)
+ iteration 14: trace = 4.658682156534677 (1.93498e-09% change)
linmin: converged after 2 iterations.
- iteration 18: trace = 4.658682156170642 (2.79041e-09% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 4.658682156060237 (2.3699e-09% change)
- linmin: converged after 6 iterations.
- iteration 20: trace = 4.658682156016944 (9.29286e-10% change)
+ iteration 15: trace = 4.65868215647283 (1.32757e-09% change)
+ linmin: converged after 2 iterations.
+ iteration 16: trace = 4.658682156406849 (1.4163e-09% change)
+ linmin: converged after 12 iterations.
+ iteration 17: trace = 4.658682156300642 (2.27978e-09% change)
+ linmin: converged after 3 iterations.
+ iteration 18: trace = 4.658682156170636 (2.7906e-09% change)
linmin: converged after 2 iterations.
- iteration 21: trace = 4.658682156004982 (2.56768e-10% change)
+ iteration 19: trace = 4.65868215606024 (2.36969e-09% change)
+ linmin: converged after 9 iterations.
+ iteration 20: trace = 4.658682156016951 (9.2921e-10% change)
linmin: converged after 7 iterations.
- iteration 22: trace = 4.658682156001957 (6.49354e-11% change)
+ iteration 21: trace = 4.658682156004993 (2.56691e-10% change)
+ linmin: converged after 9 iterations.
+ iteration 22: trace = 4.658682156001969 (6.48973e-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: 0.12503480911254883
-zparity:, 9, 0.9987530861905011, -0.9924225574132043, -0.9954159207906835, -0.9908510257229064
-yparity:, 9, -0.9998459146893178, 1.0000015100368072, -1.0000160082783154, -0.99984096711267
+elapsed time for k point: 1.154212474822998
+zparity:, 9, 0.9987530861904907, -0.992422557413354, -0.9954159207907912, -0.9908510257241977
+yparity:, 9, -0.9998459146893185, 1.000001510036809, -1.0000160082783394, -0.999840967114548
solve_kpoint (2.71,0,0):
Solving for bands 1 to 4...
linmin: converged after 4 iterations.
- iteration 1: trace = 5.231306463684273 (0.398399% change)
+ iteration 1: trace = 5.231306463684409 (0.398399% change)
linmin: converged after 4 iterations.
- iteration 2: trace = 5.226476483996151 (0.092371% change)
+ iteration 2: trace = 5.22647648399617 (0.092371% change)
linmin: converged after 4 iterations.
- iteration 3: trace = 5.225996832030682 (0.00917777% change)
+ iteration 3: trace = 5.22599683203071 (0.00917777% change)
linmin: converged after 4 iterations.
- iteration 4: trace = 5.225846177241142 (0.00288284% change)
+ iteration 4: trace = 5.225846177241165 (0.00288284% change)
linmin: converged after 4 iterations.
- iteration 5: trace = 5.225825962252774 (0.000386828% change)
+ iteration 5: trace = 5.225825962252779 (0.000386828% change)
linmin: converged after 4 iterations.
- iteration 6: trace = 5.225822836954247 (5.98049e-05% change)
+ iteration 6: trace = 5.225822836954253 (5.98049e-05% change)
linmin: converged after 2 iterations.
- iteration 7: trace = 5.22582213202447 (1.34894e-05% change)
+ iteration 7: trace = 5.225822132024463 (1.34894e-05% change)
linmin: converged after 2 iterations.
- iteration 8: trace = 5.225821997941997 (2.56577e-06% change)
+ iteration 8: trace = 5.225821997941996 (2.56577e-06% change)
linmin: converged after 2 iterations.
- iteration 9: trace = 5.225821960503548 (7.16413e-07% change)
- linmin: converged after 6 iterations.
- iteration 10: trace = 5.225821946532255 (2.67351e-07% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 5.225821943078978 (6.6081e-08% change)
+ iteration 9: trace = 5.225821960503557 (7.16412e-07% change)
+ linmin: converged after 3 iterations.
+ iteration 10: trace = 5.225821946532268 (2.67351e-07% change)
+ linmin: converged after 3 iterations.
+ iteration 11: trace = 5.225821943078974 (6.60813e-08% change)
linmin: converged after 2 iterations.
- iteration 12: trace = 5.22582194212544 (1.82467e-08% change)
+ iteration 12: trace = 5.225821942125431 (1.82468e-08% change)
linmin: converged after 3 iterations.
- iteration 13: trace = 5.225821941909174 (4.1384e-09% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.225821941839992 (1.32387e-09% change)
+ iteration 13: trace = 5.225821941909173 (4.13826e-09% change)
linmin: converged after 4 iterations.
- iteration 15: trace = 5.225821941820718 (3.68812e-10% change)
- linmin: converged after 9 iterations.
- iteration 16: trace = 5.225821941816024 (8.98236e-11% change)
+ iteration 14: trace = 5.22582194183999 (1.32387e-09% change)
+ linmin: converged after 3 iterations.
+ iteration 15: trace = 5.22582194182071 (3.68931e-10% change)
+ linmin: converged after 7 iterations.
+ iteration 16: trace = 5.225821941816028 (8.96027e-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: 0.13878321647644043
-zparity:, 10, 0.9990584518844128, -0.9941385054596761, -0.9961444762112307, -0.9934909746544959
-yparity:, 10, -0.9998332718977193, 1.0000025246212403, -1.000023092333591, -0.9998348121388908
+elapsed time for k point: 0.41605424880981445
+zparity:, 10, 0.9990584518844122, -0.994138505459672, -0.9961444762112268, -0.9934909746544547
+yparity:, 10, -0.9998332718977178, 1.0000025246212318, -1.0000230923335942, -0.999834812138767
solve_kpoint (3,0,0):
Solving for bands 1 to 4...
linmin: converged after 4 iterations.
- iteration 1: trace = 5.849410752654954 (0.287035% change)
+ iteration 1: trace = 5.849410752654945 (0.287035% change)
linmin: converged after 4 iterations.
- iteration 2: trace = 5.845548946596228 (0.0660422% change)
+ iteration 2: trace = 5.845548946596236 (0.0660422% change)
linmin: converged after 4 iterations.
- iteration 3: trace = 5.845128893013054 (0.00718613% change)
+ iteration 3: trace = 5.845128893013058 (0.00718613% change)
linmin: converged after 4 iterations.
- iteration 4: trace = 5.844992170146362 (0.00233912% change)
+ iteration 4: trace = 5.844992170146363 (0.00233912% change)
linmin: converged after 4 iterations.
- iteration 5: trace = 5.84497398445039 (0.000311133% change)
+ iteration 5: trace = 5.844973984450399 (0.000311133% change)
linmin: converged after 2 iterations.
- iteration 6: trace = 5.844971151658918 (4.84654e-05% change)
+ iteration 6: trace = 5.84497115165891 (4.84654e-05% change)
linmin: converged after 2 iterations.
- iteration 7: trace = 5.844970494856538 (1.12371e-05% change)
+ iteration 7: trace = 5.844970494856531 (1.12371e-05% change)
linmin: converged after 2 iterations.
- iteration 8: trace = 5.844970368036916 (2.16972e-06% change)
+ iteration 8: trace = 5.844970368036914 (2.16972e-06% change)
linmin: converged after 2 iterations.
- iteration 9: trace = 5.844970331184177 (6.30503e-07% change)
+ iteration 9: trace = 5.844970331184173 (6.30503e-07% change)
linmin: converged after 3 iterations.
- iteration 10: trace = 5.844970316460047 (2.51911e-07% change)
+ iteration 10: trace = 5.844970316460044 (2.51911e-07% change)
linmin: converged after 2 iterations.
- iteration 11: trace = 5.844970312633015 (6.54757e-08% change)
+ iteration 11: trace = 5.844970312633015 (6.54756e-08% change)
linmin: converged after 2 iterations.
- iteration 12: trace = 5.844970311596865 (1.77272e-08% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 5.844970311355162 (4.13522e-09% change)
- linmin: converged after 2 iterations.
- iteration 14: trace = 5.844970311278128 (1.31796e-09% change)
+ iteration 12: trace = 5.844970311596864 (1.77272e-08% change)
linmin: converged after 3 iterations.
- iteration 15: trace = 5.844970311258019 (3.44028e-10% change)
+ iteration 13: trace = 5.844970311355159 (4.13527e-09% change)
+ linmin: converged after 2 iterations.
+ iteration 14: trace = 5.844970311278132 (1.31782e-09% change)
linmin: converged after 3 iterations.
- iteration 16: trace = 5.844970311253997 (6.88209e-11% change)
+ iteration 15: trace = 5.84497031125801 (3.44256e-10% change)
+ linmin: converged after 4 iterations.
+ iteration 16: trace = 5.844970311254003 (6.85626e-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: 0.19103789329528809
-zparity:, 11, 0.9992573509363801, -0.9952507980579969, -0.9966396089669386, -0.9950905165813094
-yparity:, 11, -0.9998264814151204, 1.0000033584035082, -1.0000301573652741, -0.9998331550674879
-Band 1 range: 0.080758205340476 at Vector3<0.1, 0.0, 0.0> to 1.0814996932106422 at Vector3<3.0, 0.0, 0.0>
-Band 2 range: 0.08557653550125252 at Vector3<0.1, 0.0, 0.0> to 1.1042853097904508 at Vector3<3.0, 0.0, 0.0>
+Felapsed time for k point: 0.7435569763183594
+zparity:, 11, 0.9992573509363805, -0.9952507980579985, -0.9966396089669408, -0.9950905165812846
+yparity:, 11, -0.9998264814151204, 1.000003358403511, -1.0000301573652728, -0.9998331550674042
+Band 1 range: 0.080758205340476 at Vector3<0.1, 0.0, 0.0> to 1.0814996932106418 at Vector3<3.0, 0.0, 0.0>
+Band 2 range: 0.08557653550125252 at Vector3<0.1, 0.0, 0.0> to 1.10428530979045 at Vector3<3.0, 0.0, 0.0>
Band 3 range: 0.3146996800330991 at Vector3<0.1, 0.0, 0.0> to 1.276928808773857 at Vector3<3.0, 0.0, 0.0>
-Band 4 range: 0.39467479434568936 at Vector3<0.1, 0.0, 0.0> to 1.351049775820151 at Vector3<3.0, 0.0, 0.0>
-total elapsed time for run: 4.356157064437866
+Band 4 range: 0.39467479434568936 at Vector3<0.1, 0.0, 0.0> to 1.3510497758201518 at Vector3<3.0, 0.0, 0.0>
+total elapsed time for run: 12.482426404953003
done
-/tmp/meepFBAM2J/test_strip-0: 4.36s
+/tmp/meepYM7cP9/test_strip-0: 12.49s
-/tmp/meepFBAM2J/test_subpixel_averaging-0
+/tmp/meepYM7cP9/test_subpixel_averaging-0
========================
Initializing eigensolver data
Computing 8 bands with 1e-12 tolerance
@@ -89284,7 +89308,7 @@
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: 0.0025124549865722656
+elapsed time for initialization: 0.003364086151123047
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...
@@ -89395,7 +89419,7 @@
iteration 52: trace = 5.548117725324876 (4.74496e-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: 0.2118213176727295
+elapsed time for k point: 0.8360340595245361
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -89646,7 +89670,7 @@
iteration 121: trace = 5.540497242579415 (3.78965e-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: 0.8179986476898193
+elapsed time for k point: 1.8395707607269287
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -89703,7 +89727,7 @@
iteration 26: trace = 5.499374946276072 (6.76061e-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: 0.18744277954101562
+elapsed time for k point: 0.30002379417419434
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -89756,7 +89780,7 @@
iteration 24: trace = 5.485459080087868 (6.14144e-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: 0.1491684913635254
+elapsed time for k point: 0.36132001876831055
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -89817,7 +89841,7 @@
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: 0.20983123779296875
+elapsed time for k point: 0.5925650596618652
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -89910,7 +89934,7 @@
iteration 44: trace = 5.538866868553965 (9.66452e-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: 0.3694949150085449
+elapsed time for k point: 0.6620538234710693
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -89981,7 +90005,7 @@
iteration 33: trace = 5.419797732958394 (9.1099e-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: 0.20992422103881836
+elapsed time for k point: 0.5849931240081787
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -90042,7 +90066,7 @@
iteration 28: trace = 5.240853948733916 (3.69619e-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: 0.18007588386535645
+elapsed time for k point: 0.7784445285797119
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -90095,7 +90119,7 @@
iteration 24: trace = 5.09654427341062 (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: 0.1480851173400879
+elapsed time for k point: 0.5594537258148193
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -90147,7 +90171,7 @@
iteration 23: trace = 5.006436496341392 (6.08684e-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: 0.9407069683074951
+elapsed time for k point: 0.5011022090911865
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -90199,7 +90223,7 @@
iteration 23: trace = 4.975984265381787 (5.44582e-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: 0.19335079193115234
+elapsed time for k point: 0.6281528472900391
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -90240,7 +90264,7 @@
iteration 18: trace = 5.036378479895265 (5.47222e-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: 0.29945969581604004
+elapsed time for k point: 0.48272109031677246
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -90287,7 +90311,7 @@
iteration 21: trace = 5.206566305891685 (3.93717e-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: 0.2807784080505371
+elapsed time for k point: 0.3327469825744629
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -90350,7 +90374,7 @@
iteration 29: trace = 5.417088766409226 (6.14845e-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: 0.18287348747253418
+elapsed time for k point: 0.6475138664245605
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -90423,7 +90447,7 @@
iteration 34: trace = 5.522267645664736 (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: 0.2438652515411377
+elapsed time for k point: 0.7548840045928955
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 5 iterations.
@@ -90618,7 +90642,7 @@
iteration 93: trace = 5.548117725324989 (3.6948e-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: 0.7486963272094727
+elapsed time for k point: 1.2613897323608398
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0>
Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0>
@@ -90630,13 +90654,13 @@
Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383%
Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081%
Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186%
-total elapsed time for run: 5.378259658813477
+total elapsed time for run: 11.133425235748291
done
epsilon: 1-12, mean 2.38229, harm. mean 1.1448, 14.5508% > 1, 12.5663% "fill"
-.Outputting /tmp/meepFBAM2J/test_subpixel_averaging-0-epsilon.h5...
-/tmp/meepFBAM2J/test_subpixel_averaging-0: 5.40s
+.Outputting /tmp/meepYM7cP9/test_subpixel_averaging-0-epsilon.h5...
+/tmp/meepYM7cP9/test_subpixel_averaging-0: 11.19s
-/tmp/meepFBAM2J/test_symmetry_overlap-0
+/tmp/meepYM7cP9/test_symmetry_overlap-0
========================
Initializing eigensolver data
Computing 6 bands with 1e-12 tolerance
@@ -90664,7 +90688,7 @@
Initializing fields to random numbers...
1 k-points
Vector3<0.5, 0.5, 0.5>
-elapsed time for initialization: 0.08370161056518555
+elapsed time for initialization: 0.2375195026397705
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...
@@ -90725,8 +90749,8 @@
iteration 27: trace = 2.04033564540094 (3.53907e-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: 5.6888322830200195
-total elapsed time for run: 5.772698402404785
+elapsed time for k point: 26.753764152526855
+total elapsed time for run: 26.991519927978516
done
Initializing eigensolver data
Computing 6 bands with 1e-12 tolerance
@@ -90753,7 +90777,7 @@
Initializing fields to random numbers...
1 k-points
Vector3<0.0, 0.0, 0.0>
-elapsed time for initialization: 0.15587925910949707
+elapsed time for initialization: 0.12117457389831543
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...
@@ -90936,8 +90960,8 @@
iteration 87: trace = 2.470085654421001 (7.5115e-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: 12.821642637252808
-total elapsed time for run: 12.977707624435425
+elapsed time for k point: 58.13890218734741
+total elapsed time for run: 58.26033115386963
done
Initializing eigensolver data
Computing 6 bands with 1e-12 tolerance
@@ -90964,7 +90988,7 @@
Initializing fields to random numbers...
1 k-points
Vector3<0.0, 0.0, 0.0>
-elapsed time for initialization: 0.05382585525512695
+elapsed time for initialization: 0.25961947441101074
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...
@@ -91033,12 +91057,12 @@
iteration 31: trace = 2.293368820561557 (4.35304e-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: 5.146535158157349
-total elapsed time for run: 5.200517892837524
+.elapsed time for k point: 20.270532369613647
+total elapsed time for run: 20.530481100082397
done
-/tmp/meepFBAM2J/test_symmetry_overlap-0: 24.62s
+/tmp/meepYM7cP9/test_symmetry_overlap-0: 107.84s
-/tmp/meepFBAM2J/test_tri_holes-0
+/tmp/meepYM7cP9/test_tri_holes-0
========================
Initializing eigensolver data
Computing 8 bands with 1e-12 tolerance
@@ -91081,7 +91105,7 @@
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: 0.0026199817657470703
+elapsed time for initialization: 0.007027864456176758
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...
@@ -91091,1351 +91115,1351 @@
linmin: converged after 7 iterations.
iteration 2: trace = 5.883288708168697 (77.5984% change)
linmin: converged after 5 iterations.
- iteration 3: trace = 5.044755956652262 (15.3464% change)
+ iteration 3: trace = 5.044755956652264 (15.3464% change)
linmin: converged after 5 iterations.
iteration 4: trace = 4.759186801709498 (5.8256% change)
linmin: converged after 5 iterations.
- iteration 5: trace = 4.648502384223164 (2.35306% change)
+ iteration 5: trace = 4.648502384223161 (2.35306% change)
linmin: converged after 5 iterations.
- iteration 6: trace = 4.573735188935823 (1.62145% change)
- linmin: converged after 6 iterations.
- iteration 7: trace = 4.525096086376153 (1.06913% change)
+ iteration 6: trace = 4.573735188935817 (1.62145% change)
linmin: converged after 7 iterations.
- iteration 8: trace = 4.490878663187869 (0.75904% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 4.47197267315708 (0.421874% change)
+ iteration 7: trace = 4.525096086376154 (1.06913% change)
+ linmin: converged after 7 iterations.
+ iteration 8: trace = 4.490878663187896 (0.75904% change)
+ linmin: converged after 9 iterations.
+ iteration 9: trace = 4.471972673158289 (0.421874% change)
linmin: converged after 4 iterations.
- iteration 10: trace = 4.463100096503293 (0.198601% change)
+ iteration 10: trace = 4.463100096502802 (0.198601% change)
linmin: converged after 5 iterations.
- iteration 11: trace = 4.457774835855008 (0.119389% change)
+ iteration 11: trace = 4.457774835855679 (0.119389% change)
linmin: converged after 4 iterations.
- iteration 12: trace = 4.455553733636341 (0.0498378% change)
+ iteration 12: trace = 4.455553733636298 (0.0498378% change)
linmin: converged after 4 iterations.
- iteration 13: trace = 4.454264949858748 (0.0289295% change)
+ iteration 13: trace = 4.454264949858802 (0.0289295% change)
linmin: converged after 4 iterations.
- iteration 14: trace = 4.453628568036779 (0.014288% change)
+ iteration 14: trace = 4.45362856803677 (0.014288% change)
linmin: converged after 4 iterations.
iteration 15: trace = 4.453292324411064 (0.00755017% change)
linmin: converged after 4 iterations.
- iteration 16: trace = 4.453169254637669 (0.00276361% change)
+ iteration 16: trace = 4.453169254637681 (0.00276361% change)
linmin: converged after 4 iterations.
- iteration 17: trace = 4.453124198333837 (0.00101179% change)
- linmin: converged after 5 iterations.
- iteration 18: trace = 4.453097708544555 (0.00059486% change)
+ iteration 17: trace = 4.45312419833384 (0.00101179% change)
+ linmin: converged after 4 iterations.
+ iteration 18: trace = 4.453097708544562 (0.00059486% change)
linmin: converged after 5 iterations.
- iteration 19: trace = 4.453064686036334 (0.000741565% change)
+ iteration 19: trace = 4.453064686036353 (0.000741565% change)
large trace change predicted (0.00167871%)
- linmin: converged after 5 iterations.
- iteration 20: trace = 4.452989908418395 (0.00167925% change)
+ linmin: converged after 8 iterations.
+ iteration 20: trace = 4.452989908418393 (0.00167925% change)
large trace change predicted (0.00355348%)
+ linmin: converged after 11 iterations.
+ iteration 21: trace = 4.452831698851194 (0.00355295% change)
linmin: converged after 5 iterations.
- iteration 21: trace = 4.452831698844784 (0.00355295% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 4.452615931157512 (0.00484575% change)
+ iteration 22: trace = 4.452615931161866 (0.00484575% change)
linmin: converged after 5 iterations.
- iteration 23: trace = 4.452445091453891 (0.00383691% change)
+ iteration 23: trace = 4.452445091443117 (0.00383691% change)
linmin: converged after 4 iterations.
- iteration 24: trace = 4.452296186462635 (0.0033444% change)
+ iteration 24: trace = 4.452296186459317 (0.0033444% change)
linmin: converged after 5 iterations.
- iteration 25: trace = 4.452144807934248 (0.00340007% change)
+ iteration 25: trace = 4.45214480792432 (0.00340007% change)
linmin: converged after 4 iterations.
- iteration 26: trace = 4.452028010938923 (0.00262342% change)
+ iteration 26: trace = 4.452028010939461 (0.00262342% change)
linmin: converged after 4 iterations.
- iteration 27: trace = 4.451974702503806 (0.0011974% change)
+ iteration 27: trace = 4.451974702506442 (0.0011974% change)
linmin: converged after 4 iterations.
- iteration 28: trace = 4.451958340675585 (0.000367519% change)
+ iteration 28: trace = 4.451958340678137 (0.000367519% change)
linmin: converged after 4 iterations.
- iteration 29: trace = 4.451953421809178 (0.000110488% change)
+ iteration 29: trace = 4.451953421811336 (0.000110488% change)
linmin: converged after 4 iterations.
- iteration 30: trace = 4.451951355107944 (4.64224e-05% change)
+ iteration 30: trace = 4.451951355109325 (4.64224e-05% change)
linmin: converged after 5 iterations.
- iteration 31: trace = 4.451950388858661 (2.1704e-05% change)
- linmin: converged after 6 iterations.
- iteration 32: trace = 4.451949935124787 (1.01918e-05% change)
- linmin: converged after 17 iterations.
- iteration 33: trace = 4.451949721654948 (4.79497e-06% change)
- linmin: converged after 2 iterations.
- iteration 34: trace = 4.451949638044333 (1.87807e-06% change)
- linmin: converged after 10 iterations.
- iteration 35: trace = 4.451949603091121 (7.85121e-07% change)
- linmin: converged after 3 iterations.
- iteration 36: trace = 4.451949587125339 (3.58624e-07% change)
+ iteration 31: trace = 4.451950388859546 (2.1704e-05% change)
linmin: converged after 4 iterations.
- iteration 37: trace = 4.451949578414736 (1.95658e-07% change)
- linmin: converged after 3 iterations.
- iteration 38: trace = 4.451949573497765 (1.10445e-07% change)
+ iteration 32: trace = 4.451949935125477 (1.01918e-05% change)
+ linmin: converged after 14 iterations.
+ iteration 33: trace = 4.45194972165554 (4.79498e-06% change)
linmin: converged after 2 iterations.
- iteration 39: trace = 4.451949570787226 (6.08843e-08% change)
+ iteration 34: trace = 4.451949638045011 (1.87807e-06% change)
linmin: converged after 4 iterations.
- iteration 40: trace = 4.451949569043665 (3.9164e-08% change)
+ iteration 35: trace = 4.451949603091682 (7.85124e-07% change)
+ linmin: converged after 6 iterations.
+ iteration 36: trace = 4.451949587125897 (3.58625e-07% change)
+ linmin: converged after 4 iterations.
+ iteration 37: trace = 4.451949578415249 (1.95659e-07% change)
+ linmin: converged after 2 iterations.
+ iteration 38: trace = 4.451949573498261 (1.10446e-07% change)
+ linmin: converged after 2 iterations.
+ iteration 39: trace = 4.451949570787714 (6.08845e-08% change)
+ linmin: converged after 2 iterations.
+ iteration 40: trace = 4.451949569044144 (3.91642e-08% change)
linmin: converged after 4 iterations.
- iteration 41: trace = 4.451949566780623 (5.08326e-08% change)
+ iteration 41: trace = 4.451949566781069 (5.08333e-08% change)
linmin: converged after 4 iterations.
- iteration 42: trace = 4.451949562367886 (9.91192e-08% change)
- large trace change predicted (2.08751e-07%)
+ iteration 42: trace = 4.451949562368261 (9.91208e-08% change)
+ large trace change predicted (2.08754e-07%)
linmin: converged after 2 iterations.
- iteration 43: trace = 4.451949553074408 (2.08751e-07% change)
+ iteration 43: trace = 4.451949553074643 (2.08754e-07% change)
linmin: converged after 4 iterations.
- iteration 44: trace = 4.451949540842983 (2.74743e-07% change)
+ iteration 44: trace = 4.451949540843133 (2.74745e-07% change)
linmin: converged after 3 iterations.
- iteration 45: trace = 4.451949529999652 (2.43564e-07% change)
+ iteration 45: trace = 4.451949529999723 (2.43565e-07% change)
linmin: converged after 2 iterations.
- iteration 46: trace = 4.451949523238097 (1.51879e-07% change)
+ iteration 46: trace = 4.451949523238113 (1.5188e-07% change)
linmin: converged after 3 iterations.
- iteration 47: trace = 4.451949519159004 (9.16249e-08% change)
+ iteration 47: trace = 4.451949519159018 (9.16249e-08% change)
linmin: converged after 2 iterations.
- iteration 48: trace = 4.451949516240804 (6.55488e-08% change)
- linmin: converged after 4 iterations.
- iteration 49: trace = 4.451949514432186 (4.06253e-08% change)
- linmin: converged after 3 iterations.
- iteration 50: trace = 4.451949513681802 (1.68552e-08% change)
+ iteration 48: trace = 4.451949516240802 (6.55492e-08% change)
linmin: converged after 2 iterations.
- iteration 51: trace = 4.451949513453069 (5.13781e-09% change)
- linmin: converged after 4 iterations.
- iteration 52: trace = 4.45194951339295 (1.3504e-09% change)
- linmin: converged after 3 iterations.
- iteration 53: trace = 4.451949513373063 (4.46708e-10% change)
+ iteration 49: trace = 4.451949514432187 (4.06252e-08% change)
+ linmin: converged after 11 iterations.
+ iteration 50: trace = 4.45194951368181 (1.6855e-08% change)
linmin: converged after 4 iterations.
- iteration 54: trace = 4.45194951336368 (2.10775e-10% change)
+ iteration 51: trace = 4.451949513453068 (5.13803e-09% change)
+ linmin: converged after 9 iterations.
+ iteration 52: trace = 4.451949513392954 (1.35028e-09% change)
linmin: converged after 3 iterations.
- iteration 55: trace = 4.45194951335844 (1.17687e-10% change)
+ iteration 53: trace = 4.451949513373073 (4.46568e-10% change)
linmin: converged after 3 iterations.
- iteration 56: trace = 4.4519495133559 (5.70579e-11% change)
+ iteration 54: trace = 4.451949513363684 (2.10895e-10% change)
+ linmin: converged after 5 iterations.
+ iteration 55: trace = 4.451949513358432 (1.17966e-10% change)
+ linmin: converged after 15 iterations.
+ iteration 56: trace = 4.451949513355893 (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: 0.28495264053344727
+elapsed time for k point: 0.8883669376373291
solve_kpoint (0,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
- iteration 1: trace = 4.475944467088697 (0.531645% change)
+ iteration 1: trace = 4.475944467108932 (0.531645% change)
linmin: converged after 4 iterations.
- iteration 2: trace = 4.47004955757308 (0.131789% change)
+ iteration 2: trace = 4.470049557613261 (0.131789% change)
linmin: converged after 3 iterations.
- iteration 3: trace = 4.468237947758968 (0.0405359% change)
+ iteration 3: trace = 4.468237947812556 (0.0405359% change)
linmin: converged after 3 iterations.
- iteration 4: trace = 4.46732914258891 (0.0203413% change)
+ iteration 4: trace = 4.467329142654912 (0.0203413% change)
linmin: converged after 4 iterations.
- iteration 5: trace = 4.466696419394401 (0.0141643% change)
+ iteration 5: trace = 4.466696419469301 (0.0141643% change)
linmin: converged after 4 iterations.
- iteration 6: trace = 4.466267349496484 (0.00960644% change)
+ iteration 6: trace = 4.46626734957484 (0.00960644% change)
linmin: converged after 4 iterations.
- iteration 7: trace = 4.465882292011072 (0.00862183% change)
+ iteration 7: trace = 4.465882292089019 (0.00862183% change)
linmin: converged after 4 iterations.
- iteration 8: trace = 4.465603095566394 (0.00625196% change)
+ iteration 8: trace = 4.465603095642135 (0.00625196% change)
linmin: converged after 3 iterations.
- iteration 9: trace = 4.465254970894671 (0.007796% change)
+ iteration 9: trace = 4.465254970967649 (0.007796% change)
large trace change predicted (0.015835%)
linmin: converged after 3 iterations.
- iteration 10: trace = 4.464548380057723 (0.0158255% change)
+ iteration 10: trace = 4.464548380125286 (0.0158255% change)
large trace change predicted (0.0385932%)
linmin: converged after 6 iterations.
- iteration 11: trace = 4.462859568828668 (0.0378343% change)
- linmin: converged after 7 iterations.
- iteration 12: trace = 4.460811970282606 (0.0458914% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 4.459584283475678 (0.0275254% change)
+ iteration 11: trace = 4.462859568880448 (0.0378343% change)
+ linmin: converged after 6 iterations.
+ iteration 12: trace = 4.460811970312608 (0.0458914% change)
+ linmin: converged after 6 iterations.
+ iteration 13: trace = 4.459584283500496 (0.0275254% change)
linmin: converged after 4 iterations.
- iteration 14: trace = 4.459118661361837 (0.0104415% change)
+ iteration 14: trace = 4.459118661375987 (0.0104415% change)
linmin: converged after 3 iterations.
- iteration 15: trace = 4.458964421196186 (0.00345904% change)
+ iteration 15: trace = 4.458964421206439 (0.00345904% change)
linmin: converged after 3 iterations.
- iteration 16: trace = 4.458929960311353 (0.000772848% change)
+ iteration 16: trace = 4.458929960321749 (0.000772848% change)
linmin: converged after 3 iterations.
- iteration 17: trace = 4.458912092714899 (0.000400716% change)
+ iteration 17: trace = 4.458912092725232 (0.000400716% change)
linmin: converged after 3 iterations.
- iteration 18: trace = 4.458904032321756 (0.000180771% change)
+ iteration 18: trace = 4.458904032331692 (0.000180771% change)
linmin: converged after 3 iterations.
- iteration 19: trace = 4.458899161063318 (0.000109248% change)
+ iteration 19: trace = 4.458899161072777 (0.000109248% change)
linmin: converged after 4 iterations.
- iteration 20: trace = 4.458897017333146 (4.80776e-05% change)
- linmin: converged after 5 iterations.
- iteration 21: trace = 4.458895960737981 (2.36963e-05% change)
- linmin: converged after 6 iterations.
- iteration 22: trace = 4.458895419236236 (1.21443e-05% change)
+ iteration 20: trace = 4.45889701734218 (4.80776e-05% change)
linmin: converged after 6 iterations.
- iteration 23: trace = 4.458895086269089 (7.46748e-06% change)
+ iteration 21: trace = 4.458895960746618 (2.36963e-05% change)
+ linmin: converged after 4 iterations.
+ iteration 22: trace = 4.458895419244479 (1.21443e-05% change)
linmin: converged after 5 iterations.
- iteration 24: trace = 4.458894672862503 (9.2715e-06% change)
+ iteration 23: trace = 4.45889508627689 (7.46749e-06% change)
linmin: converged after 6 iterations.
- iteration 25: trace = 4.458893966773802 (1.58355e-05% change)
+ iteration 24: trace = 4.458894672869514 (9.27152e-06% change)
linmin: converged after 5 iterations.
- iteration 26: trace = 4.458892812030476 (2.58975e-05% change)
+ iteration 25: trace = 4.458893966779284 (1.58355e-05% change)
+ linmin: converged after 6 iterations.
+ iteration 26: trace = 4.458892812033712 (2.58976e-05% change)
+ linmin: converged after 6 iterations.
+ iteration 27: trace = 4.458891509286135 (2.92168e-05% change)
linmin: converged after 5 iterations.
- iteration 27: trace = 4.458891509284777 (2.92168e-05% change)
+ iteration 28: trace = 4.458890473613544 (2.32271e-05% change)
linmin: converged after 5 iterations.
- iteration 28: trace = 4.458890473613134 (2.32271e-05% change)
+ iteration 29: trace = 4.458889874545141 (1.34354e-05% change)
linmin: converged after 6 iterations.
- iteration 29: trace = 4.458889874545046 (1.34354e-05% change)
- linmin: converged after 4 iterations.
- iteration 30: trace = 4.458889622685373 (5.64848e-06% change)
+ iteration 30: trace = 4.458889622685401 (5.64849e-06% change)
linmin: converged after 2 iterations.
- iteration 31: trace = 4.458889526435792 (2.1586e-06% change)
+ iteration 31: trace = 4.458889526435814 (2.1586e-06% change)
+ linmin: converged after 16 iterations.
+ iteration 32: trace = 4.458889488492766 (8.50953e-07% change)
linmin: converged after 3 iterations.
- iteration 32: trace = 4.458889488492753 (8.50953e-07% change)
+ iteration 33: trace = 4.458889473720185 (3.31306e-07% change)
+ linmin: converged after 22 iterations.
+ iteration 34: trace = 4.458889468163909 (1.24611e-07% change)
linmin: converged after 4 iterations.
- iteration 33: trace = 4.458889473720157 (3.31307e-07% change)
- linmin: converged after 20 iterations.
- iteration 34: trace = 4.458889468163889 (1.24611e-07% change)
- linmin: converged after 23 iterations.
- iteration 35: trace = 4.458889466116732 (4.59118e-08% change)
- linmin: converged after 15 iterations.
- iteration 36: trace = 4.458889465242262 (1.96118e-08% change)
- linmin: converged after 19 iterations.
- iteration 37: trace = 4.458889464752221 (1.09902e-08% change)
- linmin: converged after 2 iterations.
- iteration 38: trace = 4.458889464463179 (6.48237e-09% change)
- linmin: converged after 6 iterations.
- iteration 39: trace = 4.458889464280353 (4.10026e-09% change)
- linmin: converged after 9 iterations.
- iteration 40: trace = 4.458889464100627 (4.03072e-09% change)
- linmin: converged after 7 iterations.
- iteration 41: trace = 4.458889463833423 (5.99261e-09% change)
+ iteration 35: trace = 4.458889466116761 (4.59116e-08% change)
+ linmin: converged after 12 iterations.
+ iteration 36: trace = 4.458889465242297 (1.96117e-08% change)
linmin: converged after 4 iterations.
- iteration 42: trace = 4.458889463451229 (8.57152e-09% change)
- linmin: converged after 2 iterations.
- iteration 43: trace = 4.458889462992351 (1.02913e-08% change)
+ iteration 37: trace = 4.458889464752254 (1.09903e-08% change)
+ linmin: converged after 18 iterations.
+ iteration 38: trace = 4.458889464463208 (6.48245e-09% change)
linmin: converged after 3 iterations.
- iteration 44: trace = 4.458889462497361 (1.11012e-08% change)
- linmin: converged after 6 iterations.
- iteration 45: trace = 4.458889462139589 (8.02378e-09% change)
- linmin: converged after 5 iterations.
- iteration 46: trace = 4.458889461932944 (4.63446e-09% change)
- linmin: converged after 4 iterations.
- iteration 47: trace = 4.458889461821264 (2.50465e-09% change)
- linmin: converged after 6 iterations.
- iteration 48: trace = 4.458889461773404 (1.07337e-09% change)
+ iteration 39: trace = 4.458889464280381 (4.10028e-09% change)
+ linmin: converged after 9 iterations.
+ iteration 40: trace = 4.458889464100642 (4.03102e-09% change)
+ linmin: converged after 12 iterations.
+ iteration 41: trace = 4.458889463833446 (5.99245e-09% change)
+ linmin: converged after 9 iterations.
+ iteration 42: trace = 4.458889463451237 (8.57182e-09% change)
linmin: converged after 4 iterations.
- iteration 49: trace = 4.458889461754984 (4.13106e-10% change)
+ iteration 43: trace = 4.458889462992349 (1.02916e-08% change)
+ linmin: converged after 10 iterations.
+ iteration 44: trace = 4.458889462497355 (1.11013e-08% change)
+ linmin: converged after 7 iterations.
+ iteration 45: trace = 4.458889462139591 (8.02362e-09% change)
+ linmin: converged after 5 iterations.
+ iteration 46: trace = 4.458889461932948 (4.6344e-09% change)
linmin: converged after 3 iterations.
- iteration 50: trace = 4.458889461749089 (1.32204e-10% change)
+ iteration 47: trace = 4.458889461821263 (2.50477e-09% change)
+ linmin: converged after 15 iterations.
+ iteration 48: trace = 4.458889461773397 (1.07349e-09% change)
+ linmin: converged after 4 iterations.
+ iteration 49: trace = 4.458889461754989 (4.12847e-10% change)
linmin: converged after 3 iterations.
- iteration 51: trace = 4.458889461747202 (4.23085e-11% change)
+ iteration 50: trace = 4.458889461749082 (1.32483e-10% change)
+ linmin: converged after 4 iterations.
+ iteration 51: trace = 4.458889461747205 (4.20894e-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: 0.2926650047302246
+elapsed time for k point: 1.3952207565307617
solve_kpoint (0,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
- iteration 1: trace = 4.492158134806156 (0.545791% change)
+ iteration 1: trace = 4.492158134810435 (0.545791% change)
linmin: converged after 5 iterations.
- iteration 2: trace = 4.485756356465116 (0.142612% change)
+ iteration 2: trace = 4.485756356469138 (0.142612% change)
linmin: converged after 4 iterations.
- iteration 3: trace = 4.483597723193555 (0.0481335% change)
+ iteration 3: trace = 4.483597723197324 (0.0481335% change)
linmin: converged after 4 iterations.
- iteration 4: trace = 4.482688838957766 (0.0202734% change)
+ iteration 4: trace = 4.482688838961172 (0.0202734% change)
linmin: converged after 4 iterations.
- iteration 5: trace = 4.482289052223098 (0.00891886% change)
+ iteration 5: trace = 4.482289052226116 (0.00891886% change)
linmin: converged after 4 iterations.
- iteration 6: trace = 4.482111886539142 (0.00395265% change)
+ iteration 6: trace = 4.482111886541759 (0.00395265% change)
linmin: converged after 4 iterations.
- iteration 7: trace = 4.481989042618848 (0.0027408% change)
+ iteration 7: trace = 4.481989042620977 (0.0027408% change)
linmin: converged after 5 iterations.
- iteration 8: trace = 4.481900761942839 (0.0019697% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 4.481819566982582 (0.00181164% change)
- linmin: converged after 7 iterations.
- iteration 10: trace = 4.481727172834765 (0.00206155% change)
+ iteration 8: trace = 4.481900761944479 (0.0019697% change)
linmin: converged after 4 iterations.
- iteration 11: trace = 4.481640274020339 (0.00193898% change)
+ iteration 9: trace = 4.481819566983678 (0.00181164% change)
+ linmin: converged after 11 iterations.
+ iteration 10: trace = 4.481727172835286 (0.00206155% change)
+ linmin: converged after 5 iterations.
+ iteration 11: trace = 4.481640274020497 (0.00193898% change)
linmin: converged after 5 iterations.
- iteration 12: trace = 4.481586984826237 (0.00118906% change)
+ iteration 12: trace = 4.481586984826245 (0.00118906% change)
linmin: converged after 4 iterations.
- iteration 13: trace = 4.481566235482778 (0.000462992% change)
+ iteration 13: trace = 4.481566235482783 (0.000462992% change)
linmin: converged after 4 iterations.
- iteration 14: trace = 4.481558614049644 (0.000170062% change)
+ iteration 14: trace = 4.481558614049639 (0.000170062% change)
linmin: converged after 4 iterations.
- iteration 15: trace = 4.481555960259473 (5.92158e-05% change)
+ iteration 15: trace = 4.481555960259469 (5.92158e-05% change)
linmin: converged after 2 iterations.
iteration 16: trace = 4.481555115788884 (1.88432e-05% change)
+ linmin: converged after 4 iterations.
+ iteration 17: trace = 4.481554758617261 (7.96981e-06% change)
linmin: converged after 3 iterations.
- iteration 17: trace = 4.481554758617264 (7.96981e-06% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 4.48155467543528 (1.8561e-06% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 4.481554649662217 (5.75092e-07% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 4.481554642967501 (1.49384e-07% change)
- linmin: converged after 3 iterations.
- iteration 21: trace = 4.481554640848132 (4.72909e-08% change)
+ iteration 18: trace = 4.481554675435285 (1.8561e-06% change)
+ linmin: converged after 2 iterations.
+ iteration 19: trace = 4.481554649662213 (5.75092e-07% change)
+ linmin: converged after 20 iterations.
+ iteration 20: trace = 4.481554642967496 (1.49384e-07% change)
linmin: converged after 4 iterations.
- iteration 22: trace = 4.48155464016311 (1.52854e-08% change)
- linmin: converged after 14 iterations.
- iteration 23: trace = 4.48155463985519 (6.87083e-09% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 4.48155463968686 (3.75607e-09% change)
+ iteration 21: trace = 4.481554640848132 (4.72908e-08% change)
+ linmin: converged after 26 iterations.
+ iteration 22: trace = 4.481554640163115 (1.52853e-08% change)
+ linmin: converged after 2 iterations.
+ iteration 23: trace = 4.481554639855192 (6.87089e-09% change)
+ linmin: converged after 2 iterations.
+ iteration 24: trace = 4.481554639686864 (3.75603e-09% change)
linmin: converged after 7 iterations.
- iteration 25: trace = 4.481554639614043 (1.62482e-09% change)
- linmin: converged after 6 iterations.
- iteration 26: trace = 4.481554639589961 (5.3736e-10% change)
- linmin: converged after 9 iterations.
- iteration 27: trace = 4.481554639582895 (1.57656e-10% change)
+ iteration 25: trace = 4.481554639614042 (1.62492e-09% change)
+ linmin: converged after 3 iterations.
+ iteration 26: trace = 4.481554639589966 (5.37221e-10% change)
+ linmin: converged after 4 iterations.
+ iteration 27: trace = 4.4815546395829 (1.57656e-10% change)
linmin: converged after 3 iterations.
- iteration 28: trace = 4.481554639580309 (5.77116e-11% change)
+ iteration 28: trace = 4.481554639580312 (5.77512e-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: 0.22773528099060059
+elapsed time for k point: 0.42415904998779297
solve_kpoint (0,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
- iteration 1: trace = 4.543019728981141 (0.515577% change)
+ iteration 1: trace = 4.543019728981382 (0.515577% change)
linmin: converged after 4 iterations.
- iteration 2: trace = 4.537380948824073 (0.124197% change)
+ iteration 2: trace = 4.537380948824323 (0.124197% change)
linmin: converged after 4 iterations.
- iteration 3: trace = 4.535410322886904 (0.0434403% change)
+ iteration 3: trace = 4.535410322887141 (0.0434403% change)
linmin: converged after 4 iterations.
- iteration 4: trace = 4.534688093374218 (0.0159255% change)
+ iteration 4: trace = 4.534688093374426 (0.0159255% change)
linmin: converged after 4 iterations.
- iteration 5: trace = 4.534407372581488 (0.00619071% change)
+ iteration 5: trace = 4.534407372581668 (0.00619071% change)
linmin: converged after 4 iterations.
- iteration 6: trace = 4.534314483913888 (0.00204855% change)
+ iteration 6: trace = 4.534314483914038 (0.00204855% change)
linmin: converged after 4 iterations.
- iteration 7: trace = 4.534272775349621 (0.000919847% change)
+ iteration 7: trace = 4.534272775349741 (0.000919847% change)
linmin: converged after 5 iterations.
- iteration 8: trace = 4.53425640839052 (0.000360962% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 4.534250296428466 (0.000134795% change)
+ iteration 8: trace = 4.534256408390616 (0.000360962% change)
linmin: converged after 4 iterations.
- iteration 10: trace = 4.534247094429852 (7.06181e-05% change)
+ iteration 9: trace = 4.534250296428544 (0.000134795% change)
linmin: converged after 5 iterations.
- iteration 11: trace = 4.534244850399098 (4.94907e-05% change)
+ iteration 10: trace = 4.534247094429912 (7.06181e-05% change)
+ linmin: converged after 6 iterations.
+ iteration 11: trace = 4.534244850399139 (4.94907e-05% change)
linmin: converged after 5 iterations.
- iteration 12: trace = 4.534242751424718 (4.62916e-05% change)
+ iteration 12: trace = 4.534242751424729 (4.62916e-05% change)
linmin: converged after 3 iterations.
- iteration 13: trace = 4.534241209054214 (3.40161e-05% change)
- linmin: converged after 6 iterations.
- iteration 14: trace = 4.534240295109202 (2.01565e-05% change)
+ iteration 13: trace = 4.534241209054217 (3.40161e-05% change)
linmin: converged after 5 iterations.
- iteration 15: trace = 4.534239883207022 (9.08426e-06% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 4.534239659653624 (4.93034e-06% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 4.534239494917881 (3.63315e-06% change)
+ iteration 14: trace = 4.534240295109208 (2.01565e-05% change)
+ linmin: converged after 5 iterations.
+ iteration 15: trace = 4.534239883207023 (9.08426e-06% change)
+ linmin: converged after 10 iterations.
+ iteration 16: trace = 4.53423965965363 (4.93034e-06% change)
linmin: converged after 3 iterations.
- iteration 18: trace = 4.534239415265837 (1.75668e-06% change)
- linmin: converged after 2 iterations.
- iteration 19: trace = 4.534239379667364 (7.85104e-07% change)
+ iteration 17: trace = 4.534239494917928 (3.63315e-06% change)
linmin: converged after 3 iterations.
- iteration 20: trace = 4.534239370364455 (2.0517e-07% change)
- linmin: converged after 12 iterations.
- iteration 21: trace = 4.534239368024675 (5.16025e-08% change)
- linmin: converged after 8 iterations.
- iteration 22: trace = 4.534239367497577 (1.16248e-08% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 4.534239367336914 (3.54332e-09% change)
- linmin: converged after 7 iterations.
- iteration 24: trace = 4.534239367284076 (1.16532e-09% change)
- linmin: converged after 4 iterations.
- iteration 25: trace = 4.534239367267453 (3.66594e-10% change)
+ iteration 18: trace = 4.534239415265824 (1.75668e-06% change)
+ linmin: converged after 2 iterations.
+ iteration 19: trace = 4.534239379667379 (7.85103e-07% change)
+ linmin: converged after 2 iterations.
+ iteration 20: trace = 4.534239370364448 (2.05171e-07% change)
linmin: converged after 4 iterations.
- iteration 26: trace = 4.53423936726149 (1.31516e-10% change)
+ iteration 21: trace = 4.534239368024672 (5.16024e-08% change)
linmin: converged after 4 iterations.
- iteration 27: trace = 4.534239367259119 (5.23006e-11% change)
+ iteration 22: trace = 4.534239367497577 (1.16248e-08% change)
+ linmin: converged after 6 iterations.
+ iteration 23: trace = 4.534239367336919 (3.54322e-09% change)
+ linmin: converged after 10 iterations.
+ iteration 24: trace = 4.534239367284073 (1.16548e-09% change)
+ linmin: converged after 6 iterations.
+ iteration 25: trace = 4.534239367267453 (3.66535e-10% change)
+ linmin: converged after 7 iterations.
+ iteration 26: trace = 4.534239367261494 (1.31437e-10% change)
+ linmin: converged after 5 iterations.
+ iteration 27: trace = 4.534239367259114 (5.24769e-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: 0.09688377380371094
+elapsed time for k point: 0.43570756912231445
solve_kpoint (0,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
- iteration 1: trace = 4.62140499236056 (0.557147% change)
+ iteration 1: trace = 4.621404992370209 (0.557147% change)
linmin: converged after 4 iterations.
- iteration 2: trace = 4.614041347471986 (0.159465% change)
+ iteration 2: trace = 4.614041347481714 (0.159465% change)
linmin: converged after 4 iterations.
- iteration 3: trace = 4.610477696469292 (0.0772648% change)
+ iteration 3: trace = 4.610477696476134 (0.0772648% change)
linmin: converged after 4 iterations.
- iteration 4: trace = 4.608710813616125 (0.0383306% change)
+ iteration 4: trace = 4.608710813620799 (0.0383306% change)
linmin: converged after 4 iterations.
- iteration 5: trace = 4.60786323375084 (0.0183925% change)
+ iteration 5: trace = 4.607863233753939 (0.0183925% change)
linmin: converged after 4 iterations.
- iteration 6: trace = 4.607531544207514 (0.0071986% change)
+ iteration 6: trace = 4.607531544209546 (0.0071986% change)
linmin: converged after 4 iterations.
- iteration 7: trace = 4.607374227312677 (0.0034144% change)
+ iteration 7: trace = 4.607374227313989 (0.0034144% change)
linmin: converged after 4 iterations.
- iteration 8: trace = 4.607318349687505 (0.00121279% change)
+ iteration 8: trace = 4.607318349688435 (0.00121279% change)
linmin: converged after 4 iterations.
- iteration 9: trace = 4.607296971209914 (0.000464012% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 4.607286359307773 (0.000230328% change)
+ iteration 9: trace = 4.607296971210599 (0.000464012% change)
linmin: converged after 5 iterations.
- iteration 11: trace = 4.607280058156617 (0.000136765% change)
+ iteration 10: trace = 4.607286359308265 (0.000230328% change)
linmin: converged after 5 iterations.
- iteration 12: trace = 4.607276056851984 (8.68475e-05% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 4.607274338045175 (3.73064e-05% change)
- linmin: converged after 2 iterations.
- iteration 14: trace = 4.607273686828301 (1.41345e-05% change)
+ iteration 11: trace = 4.607280058156947 (0.000136765% change)
+ linmin: converged after 6 iterations.
+ iteration 12: trace = 4.607276056852193 (8.68475e-05% change)
+ linmin: converged after 3 iterations.
+ iteration 13: trace = 4.607274338045313 (3.73064e-05% change)
+ linmin: converged after 14 iterations.
+ iteration 14: trace = 4.607273686828396 (1.41345e-05% change)
linmin: converged after 2 iterations.
- iteration 15: trace = 4.607273491056451 (4.24919e-06% change)
- linmin: converged after 27 iterations.
- iteration 16: trace = 4.607273423326224 (1.47007e-06% change)
+ iteration 15: trace = 4.607273491056637 (4.24919e-06% change)
+ linmin: converged after 8 iterations.
+ iteration 16: trace = 4.607273423326331 (1.47007e-06% change)
linmin: converged after 2 iterations.
- iteration 17: trace = 4.607273396454783 (5.8324e-07% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 4.607273383999416 (2.70341e-07% change)
+ iteration 17: trace = 4.607273396454911 (5.83239e-07% change)
+ linmin: converged after 3 iterations.
+ iteration 18: trace = 4.607273383999481 (2.70343e-07% change)
linmin: converged after 2 iterations.
- iteration 19: trace = 4.607273373222213 (2.33917e-07% change)
+ iteration 19: trace = 4.607273373222249 (2.33918e-07% change)
linmin: converged after 2 iterations.
- iteration 20: trace = 4.607273363837909 (2.03685e-07% change)
- linmin: converged after 3 iterations.
- iteration 21: trace = 4.607273356409589 (1.6123e-07% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 4.607273352713706 (8.02185e-08% change)
+ iteration 20: trace = 4.607273363837924 (2.03685e-07% change)
+ linmin: converged after 4 iterations.
+ iteration 21: trace = 4.607273356409602 (1.6123e-07% change)
+ linmin: converged after 32 iterations.
+ iteration 22: trace = 4.607273352713722 (8.02184e-08% change)
linmin: converged after 2 iterations.
- iteration 23: trace = 4.607273351035124 (3.64333e-08% change)
+ iteration 23: trace = 4.607273351035138 (3.64334e-08% change)
linmin: converged after 4 iterations.
- iteration 24: trace = 4.607273350488977 (1.1854e-08% change)
+ iteration 24: trace = 4.607273350488992 (1.1854e-08% change)
linmin: converged after 2 iterations.
- iteration 25: trace = 4.607273350318335 (3.70376e-09% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 4.607273350261741 (1.22836e-09% change)
+ iteration 25: trace = 4.607273350318334 (3.7041e-09% change)
linmin: converged after 3 iterations.
- iteration 27: trace = 4.607273350235106 (5.78101e-10% change)
- linmin: converged after 6 iterations.
- iteration 28: trace = 4.607273350217992 (3.71463e-10% change)
- linmin: converged after 3 iterations.
- iteration 29: trace = 4.60727335020926 (1.8952e-10% change)
+ iteration 26: trace = 4.607273350261742 (1.2283e-09% change)
+ linmin: converged after 4 iterations.
+ iteration 27: trace = 4.607273350235109 (5.78082e-10% change)
linmin: converged after 2 iterations.
- iteration 30: trace = 4.607273350205851 (7.3988e-11% change)
+ iteration 28: trace = 4.607273350217994 (3.71463e-10% change)
+ linmin: converged after 4 iterations.
+ iteration 29: trace = 4.607273350209258 (1.89616e-10% change)
+ linmin: converged after 4 iterations.
+ iteration 30: trace = 4.607273350205852 (7.39302e-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: 0.2724597454071045
+elapsed time for k point: 0.7350730895996094
solve_kpoint (0,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
- iteration 1: trace = 4.692438286199994 (0.712878% change)
+ iteration 1: trace = 4.692438286161613 (0.712878% change)
linmin: converged after 5 iterations.
- iteration 2: trace = 4.678587559271376 (0.295607% change)
+ iteration 2: trace = 4.678587559242676 (0.295607% change)
linmin: converged after 5 iterations.
- iteration 3: trace = 4.669219826102063 (0.200426% change)
+ iteration 3: trace = 4.669219826084261 (0.200426% change)
linmin: converged after 5 iterations.
- iteration 4: trace = 4.662995938258768 (0.133385% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 4.659382161777788 (0.0775291% change)
+ iteration 4: trace = 4.662995938248581 (0.133385% change)
linmin: converged after 4 iterations.
- iteration 6: trace = 4.657411795586118 (0.0422971% change)
+ iteration 5: trace = 4.6593821617716 (0.0775291% change)
linmin: converged after 4 iterations.
- iteration 7: trace = 4.656216146536611 (0.0256753% change)
+ iteration 6: trace = 4.657411795582307 (0.0422971% change)
linmin: converged after 4 iterations.
- iteration 8: trace = 4.655574406992657 (0.0137834% change)
+ iteration 7: trace = 4.656216146534482 (0.0256753% change)
linmin: converged after 4 iterations.
- iteration 9: trace = 4.65514846892051 (0.00914941% change)
+ iteration 8: trace = 4.655574406991427 (0.0137834% change)
linmin: converged after 4 iterations.
- iteration 10: trace = 4.654836684042657 (0.00669786% change)
+ iteration 9: trace = 4.655148468919919 (0.00914941% change)
linmin: converged after 4 iterations.
- iteration 11: trace = 4.65466529695931 (0.00368198% change)
+ iteration 10: trace = 4.654836684042397 (0.00669786% change)
linmin: converged after 4 iterations.
- iteration 12: trace = 4.654604621969561 (0.00130354% change)
+ iteration 11: trace = 4.654665296959227 (0.00368198% change)
linmin: converged after 4 iterations.
- iteration 13: trace = 4.654589608102693 (0.00032256% change)
+ iteration 12: trace = 4.654604621969535 (0.00130354% change)
linmin: converged after 4 iterations.
- iteration 14: trace = 4.654585491988872 (8.84313e-05% change)
+ iteration 13: trace = 4.654589608102686 (0.00032256% change)
+ linmin: converged after 5 iterations.
+ iteration 14: trace = 4.654585491988867 (8.84313e-05% change)
linmin: converged after 4 iterations.
- iteration 15: trace = 4.654584391756919 (2.36376e-05% change)
- linmin: converged after 9 iterations.
- iteration 16: trace = 4.654584007912178 (8.2466e-06% change)
- linmin: converged after 16 iterations.
- iteration 17: trace = 4.654583872099873 (2.91782e-06% change)
+ iteration 15: trace = 4.65458439175692 (2.36376e-05% change)
linmin: converged after 2 iterations.
- iteration 18: trace = 4.654583818003333 (1.16222e-06% change)
+ iteration 16: trace = 4.654584007912184 (8.2466e-06% change)
linmin: converged after 2 iterations.
- iteration 19: trace = 4.654583786952179 (6.67109e-07% change)
+ iteration 17: trace = 4.654583872099502 (2.91783e-06% change)
linmin: converged after 2 iterations.
- iteration 20: trace = 4.654583768788808 (3.90225e-07% change)
+ iteration 18: trace = 4.654583818003206 (1.16222e-06% change)
linmin: converged after 2 iterations.
- iteration 21: trace = 4.654583758229737 (2.26853e-07% change)
+ iteration 19: trace = 4.654583786952055 (6.67109e-07% change)
+ linmin: converged after 6 iterations.
+ iteration 20: trace = 4.65458376878888 (3.90221e-07% change)
linmin: converged after 2 iterations.
- iteration 22: trace = 4.65458375413065 (8.80656e-08% change)
+ iteration 21: trace = 4.654583758229818 (2.26853e-07% change)
linmin: converged after 2 iterations.
- iteration 23: trace = 4.654583752195744 (4.15699e-08% change)
- linmin: converged after 4 iterations.
- iteration 24: trace = 4.654583750968559 (2.63651e-08% change)
- linmin: converged after 23 iterations.
- iteration 25: trace = 4.654583749955047 (2.17745e-08% change)
+ iteration 22: trace = 4.654583754130688 (8.80665e-08% change)
+ linmin: converged after 3 iterations.
+ iteration 23: trace = 4.654583752195757 (4.15704e-08% change)
+ linmin: converged after 9 iterations.
+ iteration 24: trace = 4.654583750968563 (2.63653e-08% change)
+ linmin: converged after 21 iterations.
+ iteration 25: trace = 4.654583749955053 (2.17745e-08% change)
linmin: converged after 4 iterations.
- iteration 26: trace = 4.654583749144852 (1.74064e-08% change)
- linmin: converged after 13 iterations.
- iteration 27: trace = 4.654583748504241 (1.3763e-08% change)
+ iteration 26: trace = 4.654583749144853 (1.74065e-08% change)
+ linmin: converged after 11 iterations.
+ iteration 27: trace = 4.654583748504248 (1.37629e-08% change)
linmin: converged after 4 iterations.
- iteration 28: trace = 4.654583748161549 (7.36245e-09% change)
- linmin: converged after 2 iterations.
- iteration 29: trace = 4.654583748037946 (2.65552e-09% change)
+ iteration 28: trace = 4.65458374816155 (7.36258e-09% change)
linmin: converged after 3 iterations.
- iteration 30: trace = 4.654583747984042 (1.15807e-09% change)
- linmin: converged after 6 iterations.
- iteration 31: trace = 4.654583747952655 (6.74332e-10% change)
- linmin: converged after 7 iterations.
- iteration 32: trace = 4.654583747932773 (4.27146e-10% change)
+ iteration 29: trace = 4.654583748037949 (2.65546e-09% change)
+ linmin: converged after 4 iterations.
+ iteration 30: trace = 4.654583747984038 (1.15825e-09% change)
+ linmin: converged after 4 iterations.
+ iteration 31: trace = 4.654583747952652 (6.74294e-10% change)
+ linmin: converged after 4 iterations.
+ iteration 32: trace = 4.654583747932771 (4.27146e-10% change)
+ linmin: converged after 5 iterations.
+ iteration 33: trace = 4.654583747920531 (2.62947e-10% change)
linmin: converged after 3 iterations.
- iteration 33: trace = 4.65458374792053 (2.63043e-10% change)
- linmin: converged after 2 iterations.
- iteration 34: trace = 4.654583747914254 (1.34832e-10% change)
+ iteration 34: trace = 4.654583747914252 (1.34908e-10% change)
linmin: converged after 4 iterations.
- iteration 35: trace = 4.654583747911477 (5.96497e-11% change)
+ iteration 35: trace = 4.654583747911475 (5.96688e-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: 0.12481927871704102
+elapsed time for k point: 0.722165584564209
solve_kpoint (-0.0666667,0.466667,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
- iteration 1: trace = 4.663405538594805 (0.126187% change)
+ iteration 1: trace = 4.663405538594725 (0.126187% change)
linmin: converged after 4 iterations.
- iteration 2: trace = 4.661028794314987 (0.0509788% change)
+ iteration 2: trace = 4.661028794315087 (0.0509788% change)
linmin: converged after 4 iterations.
- iteration 3: trace = 4.659462455612483 (0.0336106% change)
+ iteration 3: trace = 4.659462455612632 (0.0336106% change)
linmin: converged after 4 iterations.
- iteration 4: trace = 4.658444596655317 (0.0218474% change)
+ iteration 4: trace = 4.658444596655599 (0.0218474% change)
linmin: converged after 4 iterations.
- iteration 5: trace = 4.658018186978972 (0.0091539% change)
+ iteration 5: trace = 4.658018186979143 (0.0091539% change)
linmin: converged after 4 iterations.
- iteration 6: trace = 4.657889867112027 (0.00275485% change)
+ iteration 6: trace = 4.657889867112118 (0.00275485% change)
linmin: converged after 4 iterations.
- iteration 7: trace = 4.657833401920406 (0.00121226% change)
+ iteration 7: trace = 4.657833401920476 (0.00121226% change)
linmin: converged after 4 iterations.
- iteration 8: trace = 4.657812047553676 (0.000458462% change)
+ iteration 8: trace = 4.657812047553699 (0.000458462% change)
linmin: converged after 5 iterations.
iteration 9: trace = 4.657804893687841 (0.000153589% change)
linmin: converged after 2 iterations.
- iteration 10: trace = 4.657803287529449 (3.44832e-05% change)
- linmin: converged after 6 iterations.
- iteration 11: trace = 4.657802747123332 (1.16022e-05% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 4.657802583154885 (3.5203e-06% change)
- linmin: converged after 6 iterations.
- iteration 13: trace = 4.657802512506884 (1.51677e-06% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 4.657802482770965 (6.38411e-07% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 4.657802459850075 (4.92097e-07% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 4.657802440944291 (4.05895e-07% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 4.657802424135108 (3.60882e-07% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 4.657802413141324 (2.36029e-07% change)
+ iteration 10: trace = 4.657803287529443 (3.44832e-05% change)
+ linmin: converged after 3 iterations.
+ iteration 11: trace = 4.657802747123325 (1.16022e-05% change)
+ linmin: converged after 3 iterations.
+ iteration 12: trace = 4.657802583154826 (3.5203e-06% change)
+ linmin: converged after 3 iterations.
+ iteration 13: trace = 4.657802512506777 (1.51677e-06% change)
+ linmin: converged after 19 iterations.
+ iteration 14: trace = 4.657802482770913 (6.3841e-07% change)
linmin: converged after 2 iterations.
- iteration 19: trace = 4.657802408226848 (1.05511e-07% change)
+ iteration 15: trace = 4.657802459850049 (4.92096e-07% change)
+ linmin: converged after 6 iterations.
+ iteration 16: trace = 4.657802440944289 (4.05894e-07% change)
linmin: converged after 2 iterations.
- iteration 20: trace = 4.657802405927233 (4.93712e-08% change)
+ iteration 17: trace = 4.657802424135102 (3.60882e-07% change)
linmin: converged after 4 iterations.
- iteration 21: trace = 4.65780240438896 (3.30257e-08% change)
- linmin: converged after 17 iterations.
- iteration 22: trace = 4.657802403523625 (1.85782e-08% change)
- linmin: converged after 9 iterations.
- iteration 23: trace = 4.657802403119733 (8.6713e-09% change)
- linmin: converged after 13 iterations.
- iteration 24: trace = 4.657802402939375 (3.87219e-09% change)
- linmin: converged after 7 iterations.
- iteration 25: trace = 4.657802402884992 (1.16755e-09% change)
+ iteration 18: trace = 4.657802413141312 (2.3603e-07% change)
linmin: converged after 4 iterations.
- iteration 26: trace = 4.657802402867801 (3.69092e-10% change)
+ iteration 19: trace = 4.65780240822683 (1.05511e-07% change)
+ linmin: converged after 22 iterations.
+ iteration 20: trace = 4.657802405927216 (4.93712e-08% change)
linmin: converged after 4 iterations.
- iteration 27: trace = 4.657802402862909 (1.0503e-10% change)
+ iteration 21: trace = 4.657802404388955 (3.30254e-08% change)
+ linmin: converged after 3 iterations.
+ iteration 22: trace = 4.657802403523622 (1.85782e-08% change)
+ linmin: converged after 5 iterations.
+ iteration 23: trace = 4.657802403119729 (8.67132e-09% change)
+ linmin: converged after 18 iterations.
+ iteration 24: trace = 4.657802402939372 (3.87215e-09% change)
+ linmin: converged after 12 iterations.
+ iteration 25: trace = 4.657802402884993 (1.16748e-09% change)
+ linmin: converged after 6 iterations.
+ iteration 26: trace = 4.657802402867802 (3.69092e-10% change)
+ linmin: converged after 3 iterations.
+ iteration 27: trace = 4.65780240286291 (1.05011e-10% change)
linmin: converged after 3 iterations.
- iteration 28: trace = 4.657802402861526 (2.96898e-11% change)
+ iteration 28: trace = 4.657802402861527 (2.96898e-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: 0.10038304328918457
+elapsed time for k point: 0.576634407043457
solve_kpoint (-0.133333,0.433333,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
- iteration 1: trace = 4.672735728067781 (0.129732% change)
+ iteration 1: trace = 4.672735728063688 (0.129732% change)
linmin: converged after 4 iterations.
- iteration 2: trace = 4.670213935696863 (0.0539828% change)
- linmin: converged after 6 iterations.
- iteration 3: trace = 4.668592631124202 (0.0347219% change)
+ iteration 2: trace = 4.670213935693525 (0.0539828% change)
linmin: converged after 4 iterations.
- iteration 4: trace = 4.667637099611687 (0.0204693% change)
+ iteration 3: trace = 4.668592631121893 (0.0347219% change)
linmin: converged after 4 iterations.
- iteration 5: trace = 4.667264545138847 (0.00798197% change)
+ iteration 4: trace = 4.667637099610609 (0.0204693% change)
linmin: converged after 4 iterations.
- iteration 6: trace = 4.667162918369823 (0.00217746% change)
+ iteration 5: trace = 4.667264545138631 (0.00798197% change)
linmin: converged after 4 iterations.
- iteration 7: trace = 4.667121297308879 (0.000891789% change)
+ iteration 6: trace = 4.667162918369607 (0.00217746% change)
linmin: converged after 4 iterations.
- iteration 8: trace = 4.66710588950992 (0.000330136% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 4.667099608686737 (0.000134576% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 4.667097710975174 (4.06615e-05% change)
+ iteration 7: trace = 4.66712129730869 (0.000891789% change)
linmin: converged after 4 iterations.
- iteration 11: trace = 4.667096867241803 (1.80783e-05% change)
+ iteration 8: trace = 4.667105889509807 (0.000330136% change)
+ linmin: converged after 6 iterations.
+ iteration 9: trace = 4.667099608686656 (0.000134576% change)
+ linmin: converged after 7 iterations.
+ iteration 10: trace = 4.667097710975093 (4.06615e-05% change)
linmin: converged after 3 iterations.
- iteration 12: trace = 4.667096564921188 (6.4777e-06% change)
+ iteration 11: trace = 4.667096867241733 (1.80783e-05% change)
linmin: converged after 3 iterations.
- iteration 13: trace = 4.667096423536345 (3.0294e-06% change)
- linmin: converged after 2 iterations.
- iteration 14: trace = 4.667096341918459 (1.74879e-06% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 4.667096252444997 (1.91711e-06% change)
+ iteration 12: trace = 4.667096564921129 (6.4777e-06% change)
+ linmin: converged after 4 iterations.
+ iteration 13: trace = 4.667096423536293 (3.0294e-06% change)
linmin: converged after 2 iterations.
- iteration 16: trace = 4.667096174501559 (1.67006e-06% change)
+ iteration 14: trace = 4.667096341918425 (1.74879e-06% change)
+ linmin: converged after 17 iterations.
+ iteration 15: trace = 4.667096252444979 (1.91711e-06% change)
+ linmin: converged after 9 iterations.
+ iteration 16: trace = 4.667096174501552 (1.67006e-06% change)
linmin: converged after 2 iterations.
- iteration 17: trace = 4.667096128228559 (9.91473e-07% change)
+ iteration 17: trace = 4.667096128228557 (9.91473e-07% change)
linmin: converged after 2 iterations.
- iteration 18: trace = 4.667096109588011 (3.99404e-07% change)
+ iteration 18: trace = 4.667096109588009 (3.99404e-07% change)
linmin: converged after 2 iterations.
- iteration 19: trace = 4.667096103668016 (1.26845e-07% change)
+ iteration 19: trace = 4.667096103668014 (1.26845e-07% change)
linmin: converged after 4 iterations.
- iteration 20: trace = 4.667096101434464 (4.78574e-08% change)
+ iteration 20: trace = 4.667096101434466 (4.78573e-08% change)
linmin: converged after 4 iterations.
- iteration 21: trace = 4.667096100309835 (2.4097e-08% change)
- linmin: converged after 21 iterations.
- iteration 22: trace = 4.667096099663391 (1.38511e-08% change)
- linmin: converged after 23 iterations.
- iteration 23: trace = 4.667096099284757 (8.11284e-09% change)
+ iteration 21: trace = 4.667096100309837 (2.4097e-08% change)
+ linmin: converged after 5 iterations.
+ iteration 22: trace = 4.667096099663393 (1.38511e-08% change)
+ linmin: converged after 2 iterations.
+ iteration 23: trace = 4.667096099284748 (8.11307e-09% change)
linmin: converged after 3 iterations.
- iteration 24: trace = 4.667096099089912 (4.17487e-09% change)
- linmin: converged after 4 iterations.
- iteration 25: trace = 4.667096099007758 (1.76028e-09% change)
+ iteration 24: trace = 4.667096099089914 (4.17464e-09% change)
+ linmin: converged after 5 iterations.
+ iteration 25: trace = 4.667096099007754 (1.76041e-09% change)
+ linmin: converged after 2 iterations.
+ iteration 26: trace = 4.667096098964766 (9.21083e-10% change)
+ linmin: converged after 2 iterations.
+ iteration 27: trace = 4.667096098939575 (5.39766e-10% change)
linmin: converged after 6 iterations.
- iteration 26: trace = 4.667096098964763 (9.21235e-10% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 4.667096098939575 (5.39709e-10% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 4.667096098919739 (4.25011e-10% change)
- linmin: converged after 3 iterations.
- iteration 29: trace = 4.667096098902278 (3.74123e-10% change)
+ iteration 28: trace = 4.667096098919733 (4.25145e-10% change)
+ linmin: converged after 9 iterations.
+ iteration 29: trace = 4.667096098902281 (3.73933e-10% change)
linmin: converged after 3 iterations.
- iteration 30: trace = 4.667096098892165 (2.16702e-10% change)
- linmin: converged after 2 iterations.
- iteration 31: trace = 4.667096098888666 (7.49617e-11% change)
+ iteration 30: trace = 4.667096098892163 (2.16797e-10% change)
+ linmin: converged after 6 iterations.
+ iteration 31: trace = 4.667096098888664 (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: 0.32219767570495605
+elapsed time for k point: 0.5544819831848145
solve_kpoint (-0.2,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
- iteration 1: trace = 4.68724409303374 (0.138258% change)
+ iteration 1: trace = 4.687244093033342 (0.138258% change)
linmin: converged after 4 iterations.
- iteration 2: trace = 4.684501121648906 (0.058537% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 4.68286993057846 (0.0348271% change)
+ iteration 2: trace = 4.68450112164867 (0.058537% change)
+ linmin: converged after 10 iterations.
+ iteration 3: trace = 4.682869930578359 (0.0348271% change)
linmin: converged after 4 iterations.
- iteration 4: trace = 4.682034068317714 (0.017851% change)
+ iteration 4: trace = 4.682034068317738 (0.017851% change)
linmin: converged after 4 iterations.
- iteration 5: trace = 4.681730640009308 (0.0064809% change)
+ iteration 5: trace = 4.681730640009381 (0.0064809% change)
linmin: converged after 4 iterations.
- iteration 6: trace = 4.681655106921903 (0.00161337% change)
+ iteration 6: trace = 4.681655106921975 (0.00161337% change)
linmin: converged after 3 iterations.
- iteration 7: trace = 4.681629472565953 (0.000547551% change)
+ iteration 7: trace = 4.681629472566017 (0.000547551% change)
linmin: converged after 4 iterations.
- iteration 8: trace = 4.681621443725628 (0.000171497% change)
+ iteration 8: trace = 4.681621443725679 (0.000171497% change)
linmin: converged after 5 iterations.
- iteration 9: trace = 4.681618077223676 (7.19089e-05% change)
+ iteration 9: trace = 4.681618077223716 (7.19089e-05% change)
linmin: converged after 2 iterations.
- iteration 10: trace = 4.681616737997818 (2.86061e-05% change)
+ iteration 10: trace = 4.681616737997851 (2.86061e-05% change)
linmin: converged after 4 iterations.
- iteration 11: trace = 4.681615858546149 (1.87852e-05% change)
+ iteration 11: trace = 4.681615858546173 (1.87852e-05% change)
linmin: converged after 3 iterations.
- iteration 12: trace = 4.681615429378741 (9.16708e-06% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 4.681615194362249 (5.01999e-06% change)
+ iteration 12: trace = 4.681615429378753 (9.16708e-06% change)
+ linmin: converged after 8 iterations.
+ iteration 13: trace = 4.681615194362259 (5.01999e-06% change)
linmin: converged after 2 iterations.
- iteration 14: trace = 4.681615039711974 (3.30335e-06% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 4.681614869241988 (3.64126e-06% change)
- linmin: converged after 16 iterations.
- iteration 16: trace = 4.68161472623034 (3.05475e-06% change)
+ iteration 14: trace = 4.681615039712025 (3.30335e-06% change)
+ linmin: converged after 13 iterations.
+ iteration 15: trace = 4.681614869242011 (3.64127e-06% change)
+ linmin: converged after 5 iterations.
+ iteration 16: trace = 4.681614726230269 (3.05475e-06% change)
linmin: converged after 2 iterations.
- iteration 17: trace = 4.681614658041417 (1.45653e-06% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 4.681614630400924 (5.90405e-07% change)
+ iteration 17: trace = 4.681614658041394 (1.45652e-06% change)
linmin: converged after 10 iterations.
- iteration 19: trace = 4.681614620951711 (2.01837e-07% change)
- linmin: converged after 27 iterations.
- iteration 20: trace = 4.68161461585685 (1.08827e-07% change)
+ iteration 18: trace = 4.681614630400899 (5.90405e-07% change)
+ linmin: converged after 37 iterations.
+ iteration 19: trace = 4.681614620951699 (2.01836e-07% change)
+ linmin: converged after 2 iterations.
+ iteration 20: trace = 4.681614615856844 (1.08827e-07% change)
linmin: converged after 2 iterations.
- iteration 21: trace = 4.681614612123162 (7.97521e-08% change)
+ iteration 21: trace = 4.681614612123169 (7.97519e-08% change)
linmin: converged after 2 iterations.
- iteration 22: trace = 4.681614608813802 (7.06884e-08% change)
+ iteration 22: trace = 4.681614608813798 (7.06887e-08% change)
linmin: converged after 2 iterations.
- iteration 23: trace = 4.68161460661389 (4.69905e-08% change)
+ iteration 23: trace = 4.681614606613888 (4.69904e-08% change)
+ linmin: converged after 3 iterations.
+ iteration 24: trace = 4.681614605684864 (1.98441e-08% change)
linmin: converged after 3 iterations.
- iteration 24: trace = 4.681614605684866 (1.98441e-08% change)
+ iteration 25: trace = 4.681614605285613 (8.52805e-09% change)
+ linmin: converged after 2 iterations.
+ iteration 26: trace = 4.681614605099327 (3.97911e-09% change)
+ linmin: converged after 13 iterations.
+ iteration 27: trace = 4.681614605024984 (1.58798e-09% change)
linmin: converged after 4 iterations.
- iteration 25: trace = 4.68161460528561 (8.52816e-09% change)
+ iteration 28: trace = 4.681614605000402 (5.25059e-10% change)
linmin: converged after 3 iterations.
- iteration 26: trace = 4.681614605099326 (3.97905e-09% change)
- linmin: converged after 6 iterations.
- iteration 27: trace = 4.681614605024981 (1.58802e-09% change)
- linmin: converged after 6 iterations.
- iteration 28: trace = 4.681614605000403 (5.24983e-10% change)
+ iteration 29: trace = 4.681614604988976 (2.4407e-10% change)
linmin: converged after 4 iterations.
- iteration 29: trace = 4.681614604988978 (2.44051e-10% change)
+ iteration 30: trace = 4.681614604983469 (1.17624e-10% change)
linmin: converged after 5 iterations.
- iteration 30: trace = 4.681614604983466 (1.17738e-10% change)
- linmin: converged after 6 iterations.
- iteration 31: trace = 4.681614604980838 (5.6137e-11% change)
+ iteration 31: trace = 4.681614604980835 (5.62698e-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: 0.2992730140686035
+elapsed time for k point: 0.5117769241333008
solve_kpoint (-0.266667,0.366667,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
- iteration 1: trace = 4.705683450233681 (0.150475% change)
+ iteration 1: trace = 4.70568345023703 (0.150475% change)
linmin: converged after 4 iterations.
- iteration 2: trace = 4.702693967398481 (0.0635494% change)
+ iteration 2: trace = 4.70269396740059 (0.0635494% change)
linmin: converged after 4 iterations.
- iteration 3: trace = 4.70107086068539 (0.0345204% change)
+ iteration 3: trace = 4.701070860686399 (0.0345204% change)
linmin: converged after 4 iterations.
- iteration 4: trace = 4.700326710701948 (0.0158306% change)
+ iteration 4: trace = 4.700326710702802 (0.0158306% change)
linmin: converged after 4 iterations.
- iteration 5: trace = 4.700066397544948 (0.00553835% change)
+ iteration 5: trace = 4.700066397545958 (0.00553835% change)
linmin: converged after 4 iterations.
- iteration 6: trace = 4.699999664100516 (0.00141985% change)
+ iteration 6: trace = 4.699999664101608 (0.00141985% change)
linmin: converged after 3 iterations.
- iteration 7: trace = 4.6999786169586 (0.000447813% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 4.699972034548884 (0.000140052% change)
+ iteration 7: trace = 4.69997861695964 (0.000447813% change)
linmin: converged after 4 iterations.
- iteration 9: trace = 4.69996900063083 (6.45519e-05% change)
+ iteration 8: trace = 4.699972034549861 (0.000140052% change)
linmin: converged after 4 iterations.
- iteration 10: trace = 4.699967170929755 (3.89301e-05% change)
+ iteration 9: trace = 4.699969000631697 (6.45519e-05% change)
linmin: converged after 5 iterations.
- iteration 11: trace = 4.699965319406983 (3.93944e-05% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 4.699964030426728 (2.74253e-05% change)
+ iteration 10: trace = 4.699967170930496 (3.89301e-05% change)
+ linmin: converged after 5 iterations.
+ iteration 11: trace = 4.699965319407529 (3.93944e-05% change)
+ linmin: converged after 5 iterations.
+ iteration 12: trace = 4.699964030427122 (2.74253e-05% change)
linmin: converged after 2 iterations.
- iteration 13: trace = 4.699963193699679 (1.78028e-05% change)
+ iteration 13: trace = 4.699963193699963 (1.78028e-05% change)
linmin: converged after 3 iterations.
- iteration 14: trace = 4.69996256078505 (1.34664e-05% change)
+ iteration 14: trace = 4.699962560785234 (1.34664e-05% change)
linmin: converged after 3 iterations.
- iteration 15: trace = 4.699961832691017 (1.54915e-05% change)
- linmin: converged after 5 iterations.
- iteration 16: trace = 4.699961225600784 (1.29169e-05% change)
+ iteration 15: trace = 4.699961832691105 (1.54915e-05% change)
linmin: converged after 3 iterations.
- iteration 17: trace = 4.699960906583672 (6.78765e-06% change)
+ iteration 16: trace = 4.699961225600818 (1.29169e-05% change)
+ linmin: converged after 4 iterations.
+ iteration 17: trace = 4.699960906583683 (6.78765e-06% change)
linmin: converged after 2 iterations.
- iteration 18: trace = 4.699960737235763 (3.60318e-06% change)
- linmin: converged after 5 iterations.
- iteration 19: trace = 4.699960644725965 (1.96831e-06% change)
+ iteration 18: trace = 4.699960737235767 (3.60318e-06% change)
linmin: converged after 2 iterations.
- iteration 20: trace = 4.69996059288988 (1.1029e-06% change)
- linmin: converged after 6 iterations.
- iteration 21: trace = 4.699960564066774 (6.13263e-07% change)
- linmin: converged after 16 iterations.
- iteration 22: trace = 4.699960551853533 (2.59858e-07% change)
- linmin: converged after 10 iterations.
- iteration 23: trace = 4.699960547235491 (9.82571e-08% change)
+ iteration 19: trace = 4.699960644725966 (1.96831e-06% change)
linmin: converged after 2 iterations.
- iteration 24: trace = 4.699960545971041 (2.69034e-08% change)
+ iteration 20: trace = 4.699960592889884 (1.1029e-06% change)
+ linmin: converged after 2 iterations.
+ iteration 21: trace = 4.699960564066775 (6.13263e-07% change)
linmin: converged after 3 iterations.
- iteration 25: trace = 4.699960545396203 (1.22307e-08% change)
- linmin: converged after 6 iterations.
- iteration 26: trace = 4.699960545062297 (7.10443e-09% change)
+ iteration 22: trace = 4.699960551853536 (2.59858e-07% change)
linmin: converged after 3 iterations.
- iteration 27: trace = 4.699960544894044 (3.5799e-09% change)
+ iteration 23: trace = 4.699960547235489 (9.82571e-08% change)
+ linmin: converged after 2 iterations.
+ iteration 24: trace = 4.699960545971042 (2.69034e-08% change)
+ linmin: converged after 2 iterations.
+ iteration 25: trace = 4.699960545396197 (1.22308e-08% change)
+ linmin: converged after 6 iterations.
+ iteration 26: trace = 4.699960545062297 (7.10432e-09% change)
+ linmin: converged after 17 iterations.
+ iteration 27: trace = 4.699960544894045 (3.57986e-09% change)
linmin: converged after 4 iterations.
- iteration 28: trace = 4.699960544831159 (1.33799e-09% change)
- linmin: converged after 11 iterations.
- iteration 29: trace = 4.6999605448051 (5.54455e-10% change)
+ iteration 28: trace = 4.699960544831157 (1.33806e-09% change)
+ linmin: converged after 5 iterations.
+ iteration 29: trace = 4.699960544805093 (5.54549e-10% change)
linmin: converged after 3 iterations.
- iteration 30: trace = 4.699960544792849 (2.60654e-10% change)
- linmin: converged after 2 iterations.
- iteration 31: trace = 4.69996054478645 (1.36157e-10% change)
+ iteration 30: trace = 4.699960544792843 (2.60654e-10% change)
linmin: converged after 4 iterations.
- iteration 32: trace = 4.699960544782284 (8.86296e-11% change)
+ iteration 31: trace = 4.699960544786452 (1.35968e-10% change)
+ linmin: converged after 3 iterations.
+ iteration 32: trace = 4.699960544782281 (8.8743e-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: 0.11417722702026367
+elapsed time for k point: 0.5891118049621582
solve_kpoint (-0.333333,0.333333,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
- iteration 1: trace = 4.726091835507106 (0.165622% change)
+ iteration 1: trace = 4.726091835507038 (0.165622% change)
linmin: converged after 4 iterations.
- iteration 2: trace = 4.722802797494394 (0.0696174% change)
+ iteration 2: trace = 4.722802797494285 (0.0696174% change)
linmin: converged after 4 iterations.
- iteration 3: trace = 4.721109191088676 (0.0358666% change)
+ iteration 3: trace = 4.721109191088566 (0.0358666% change)
linmin: converged after 4 iterations.
- iteration 4: trace = 4.72032520151121 (0.0166074% change)
+ iteration 4: trace = 4.720325201511085 (0.0166074% change)
linmin: converged after 4 iterations.
- iteration 5: trace = 4.72002872799315 (0.00628098% change)
+ iteration 5: trace = 4.720028727993002 (0.00628098% change)
linmin: converged after 4 iterations.
- iteration 6: trace = 4.719918630348262 (0.00233259% change)
+ iteration 6: trace = 4.719918630348108 (0.00233259% change)
linmin: converged after 4 iterations.
- iteration 7: trace = 4.719865321786709 (0.00112944% change)
+ iteration 7: trace = 4.719865321786559 (0.00112944% change)
linmin: converged after 4 iterations.
- iteration 8: trace = 4.719831657791618 (0.000713243% change)
+ iteration 8: trace = 4.719831657791466 (0.000713243% change)
linmin: converged after 4 iterations.
- iteration 9: trace = 4.719807413356836 (0.000513673% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 4.719790508683381 (0.000358165% change)
+ iteration 9: trace = 4.71980741335668 (0.000513673% change)
linmin: converged after 4 iterations.
- iteration 11: trace = 4.719779814606182 (0.00022658% change)
+ iteration 10: trace = 4.719790508683225 (0.000358165% change)
linmin: converged after 4 iterations.
- iteration 12: trace = 4.719770348474473 (0.000200563% change)
+ iteration 11: trace = 4.719779814606032 (0.00022658% change)
linmin: converged after 5 iterations.
- iteration 13: trace = 4.719756280309288 (0.000298069% change)
+ iteration 12: trace = 4.719770348474322 (0.000200563% change)
+ linmin: converged after 5 iterations.
+ iteration 13: trace = 4.719756280309134 (0.000298069% change)
large trace change predicted (0.000793235%)
- linmin: converged after 4 iterations.
- iteration 14: trace = 4.719718876296148 (0.000792502% change)
- large trace change predicted (0.00173209%)
linmin: converged after 5 iterations.
- iteration 15: trace = 4.719637476239784 (0.0017247% change)
+ iteration 14: trace = 4.719718876296014 (0.000792502% change)
+ large trace change predicted (0.00173209%)
+ linmin: converged after 4 iterations.
+ iteration 15: trace = 4.719637476239666 (0.0017247% change)
+ linmin: converged after 10 iterations.
+ iteration 16: trace = 4.719538716018454 (0.00209256% change)
linmin: converged after 7 iterations.
- iteration 16: trace = 4.719538716018542 (0.00209256% change)
+ iteration 17: trace = 4.719446199525518 (0.00196031% change)
linmin: converged after 5 iterations.
- iteration 17: trace = 4.719446199526267 (0.00196031% change)
+ iteration 18: trace = 4.719342067174776 (0.00220648% change)
linmin: converged after 4 iterations.
- iteration 18: trace = 4.719342067175936 (0.00220648% change)
- linmin: converged after 5 iterations.
- iteration 19: trace = 4.719250145666872 (0.00194778% change)
+ iteration 19: trace = 4.719250145666389 (0.00194778% change)
linmin: converged after 4 iterations.
- iteration 20: trace = 4.719204779904011 (0.000961296% change)
+ iteration 20: trace = 4.719204779903466 (0.000961296% change)
linmin: converged after 3 iterations.
- iteration 21: trace = 4.719181996965549 (0.000482772% change)
+ iteration 21: trace = 4.719181996965342 (0.000482772% change)
linmin: converged after 3 iterations.
- iteration 22: trace = 4.719173491797681 (0.000180226% change)
+ iteration 22: trace = 4.719173491797492 (0.000180226% change)
linmin: converged after 3 iterations.
- iteration 23: trace = 4.719169509310166 (8.43895e-05% change)
+ iteration 23: trace = 4.719169509310038 (8.43895e-05% change)
linmin: converged after 4 iterations.
- iteration 24: trace = 4.719167458937846 (4.34477e-05% change)
- linmin: converged after 5 iterations.
- iteration 25: trace = 4.719165917312573 (3.26673e-05% change)
+ iteration 24: trace = 4.719167458937708 (4.34477e-05% change)
linmin: converged after 4 iterations.
- iteration 26: trace = 4.719165107645351 (1.7157e-05% change)
- linmin: converged after 2 iterations.
- iteration 27: trace = 4.719164862214882 (5.20072e-06% change)
+ iteration 25: trace = 4.719165917312441 (3.26673e-05% change)
+ linmin: converged after 4 iterations.
+ iteration 26: trace = 4.719165107645221 (1.7157e-05% change)
+ linmin: converged after 5 iterations.
+ iteration 27: trace = 4.719164862214758 (5.20072e-06% change)
+ linmin: converged after 24 iterations.
+ iteration 28: trace = 4.719164785195745 (1.63205e-06% change)
+ linmin: converged after 6 iterations.
+ iteration 29: trace = 4.719164760925828 (5.14284e-07% change)
linmin: converged after 2 iterations.
- iteration 28: trace = 4.719164785195874 (1.63205e-06% change)
+ iteration 30: trace = 4.719164750431597 (2.22375e-07% change)
+ linmin: converged after 4 iterations.
+ iteration 31: trace = 4.719164743983883 (1.36628e-07% change)
linmin: converged after 2 iterations.
- iteration 29: trace = 4.71916476092593 (5.14285e-07% change)
+ iteration 32: trace = 4.719164738003482 (1.26726e-07% change)
linmin: converged after 2 iterations.
- iteration 30: trace = 4.719164750431715 (2.22374e-07% change)
- linmin: converged after 4 iterations.
- iteration 31: trace = 4.719164743984006 (1.36628e-07% change)
+ iteration 33: trace = 4.719164732535467 (1.15868e-07% change)
linmin: converged after 3 iterations.
- iteration 32: trace = 4.71916473800363 (1.26725e-07% change)
+ iteration 34: trace = 4.719164729193493 (7.08171e-08% change)
linmin: converged after 2 iterations.
- iteration 33: trace = 4.719164732535607 (1.15868e-07% change)
- linmin: converged after 3 iterations.
- iteration 34: trace = 4.719164729193626 (7.08172e-08% change)
- linmin: converged after 18 iterations.
- iteration 35: trace = 4.719164727750008 (3.05905e-08% change)
- linmin: converged after 3 iterations.
- iteration 36: trace = 4.719164727251828 (1.05565e-08% change)
+ iteration 35: trace = 4.719164727749883 (3.05904e-08% change)
+ linmin: converged after 2 iterations.
+ iteration 36: trace = 4.719164727251705 (1.05565e-08% change)
linmin: converged after 2 iterations.
- iteration 37: trace = 4.71916472698585 (5.63611e-09% change)
+ iteration 37: trace = 4.719164726985723 (5.63621e-09% change)
linmin: converged after 2 iterations.
- iteration 38: trace = 4.719164726837913 (3.13483e-09% change)
+ iteration 38: trace = 4.719164726837792 (3.1347e-09% change)
+ linmin: converged after 12 iterations.
+ iteration 39: trace = 4.719164726708735 (2.73474e-09% change)
+ linmin: converged after 7 iterations.
+ iteration 40: trace = 4.719164726550141 (3.36064e-09% change)
+ linmin: converged after 5 iterations.
+ iteration 41: trace = 4.719164726298249 (5.33764e-09% change)
+ linmin: converged after 6 iterations.
+ iteration 42: trace = 4.71916472585322 (9.43025e-09% change)
linmin: converged after 4 iterations.
- iteration 39: trace = 4.719164726708856 (2.73474e-09% change)
- linmin: converged after 3 iterations.
- iteration 40: trace = 4.71916472655026 (3.36068e-09% change)
- linmin: converged after 3 iterations.
- iteration 41: trace = 4.719164726298359 (5.33782e-09% change)
+ iteration 43: trace = 4.719164725066964 (1.66609e-08% change)
+ linmin: converged after 4 iterations.
+ iteration 44: trace = 4.719164723722669 (2.84859e-08% change)
+ linmin: converged after 23 iterations.
+ iteration 45: trace = 4.719164722420009 (2.76036e-08% change)
+ linmin: converged after 9 iterations.
+ iteration 46: trace = 4.719164721562645 (1.81677e-08% change)
+ linmin: converged after 29 iterations.
+ iteration 47: trace = 4.719164720988552 (1.21652e-08% change)
linmin: converged after 5 iterations.
- iteration 42: trace = 4.7191647258533 (9.43089e-09% change)
- linmin: converged after 15 iterations.
- iteration 43: trace = 4.719164725066989 (1.66621e-08% change)
+ iteration 48: trace = 4.71916472062323 (7.74124e-09% change)
+ linmin: converged after 18 iterations.
+ iteration 49: trace = 4.719164720382047 (5.11072e-09% change)
+ linmin: converged after 2 iterations.
+ iteration 50: trace = 4.719164720281921 (2.12167e-09% change)
linmin: converged after 4 iterations.
- iteration 44: trace = 4.719164723722607 (2.84877e-08% change)
- linmin: converged after 19 iterations.
- iteration 45: trace = 4.719164722419896 (2.76047e-08% change)
+ iteration 51: trace = 4.719164720241513 (8.56265e-10% change)
linmin: converged after 6 iterations.
- iteration 46: trace = 4.719164721562548 (1.81674e-08% change)
- linmin: converged after 16 iterations.
- iteration 47: trace = 4.719164720988488 (1.21644e-08% change)
- linmin: converged after 2 iterations.
- iteration 48: trace = 4.719164720623203 (7.74045e-09% change)
- linmin: converged after 19 iterations.
- iteration 49: trace = 4.719164720382039 (5.11032e-09% change)
- linmin: converged after 15 iterations.
- iteration 50: trace = 4.719164720281916 (2.12162e-09% change)
- linmin: converged after 14 iterations.
- iteration 51: trace = 4.719164720241514 (8.56133e-10% change)
- linmin: converged after 2 iterations.
iteration 52: trace = 4.719164720225399 (3.41463e-10% change)
linmin: converged after 3 iterations.
- iteration 53: trace = 4.719164720218772 (1.4044e-10% change)
+ iteration 53: trace = 4.719164720218769 (1.40477e-10% change)
linmin: converged after 3 iterations.
- iteration 54: trace = 4.719164720216029 (5.81182e-11% change)
+ iteration 54: trace = 4.71916472021603 (5.80429e-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: 0.5063040256500244
+elapsed time for k point: 2.895876407623291
solve_kpoint (-0.266667,0.266667,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
- iteration 1: trace = 4.692944380121553 (0.970793% change)
+ iteration 1: trace = 4.692944379891523 (0.970793% change)
linmin: converged after 5 iterations.
- iteration 2: trace = 4.672476472685538 (0.437095% change)
+ iteration 2: trace = 4.672476472561108 (0.437095% change)
linmin: converged after 5 iterations.
- iteration 3: trace = 4.661345041534262 (0.238518% change)
+ iteration 3: trace = 4.661345041477657 (0.238518% change)
linmin: converged after 5 iterations.
- iteration 4: trace = 4.656898551867178 (0.0954362% change)
+ iteration 4: trace = 4.656898551843586 (0.0954362% change)
linmin: converged after 4 iterations.
- iteration 5: trace = 4.655008764246738 (0.0405886% change)
+ iteration 5: trace = 4.655008764237149 (0.0405886% change)
linmin: converged after 4 iterations.
- iteration 6: trace = 4.654399336084339 (0.0130927% change)
+ iteration 6: trace = 4.654399336080442 (0.0130927% change)
linmin: converged after 4 iterations.
- iteration 7: trace = 4.654116590782666 (0.00607498% change)
+ iteration 7: trace = 4.654116590781353 (0.00607498% change)
linmin: converged after 4 iterations.
- iteration 8: trace = 4.654018455428814 (0.00210859% change)
+ iteration 8: trace = 4.654018455428288 (0.00210859% change)
linmin: converged after 4 iterations.
- iteration 9: trace = 4.653979714231529 (0.000832428% change)
+ iteration 9: trace = 4.653979714231328 (0.000832428% change)
linmin: converged after 4 iterations.
- iteration 10: trace = 4.653965914128197 (0.000296523% change)
+ iteration 10: trace = 4.653965914128123 (0.000296523% change)
linmin: converged after 4 iterations.
- iteration 11: trace = 4.653960270293227 (0.000121269% change)
+ iteration 11: trace = 4.653960270293195 (0.000121269% change)
linmin: converged after 4 iterations.
- iteration 12: trace = 4.653958279342827 (4.27797e-05% change)
+ iteration 12: trace = 4.653958279342811 (4.27797e-05% change)
linmin: converged after 5 iterations.
- iteration 13: trace = 4.65395753485975 (1.59968e-05% change)
- linmin: converged after 18 iterations.
- iteration 14: trace = 4.653957210162049 (6.97681e-06% change)
+ iteration 13: trace = 4.653957534859742 (1.59968e-05% change)
linmin: converged after 2 iterations.
- iteration 15: trace = 4.653957025852145 (3.96028e-06% change)
- linmin: converged after 5 iterations.
- iteration 16: trace = 4.653956928560638 (2.09051e-06% change)
+ iteration 14: trace = 4.653957210162043 (6.97681e-06% change)
linmin: converged after 2 iterations.
- iteration 17: trace = 4.653956875769971 (1.13432e-06% change)
- linmin: converged after 32 iterations.
- iteration 18: trace = 4.653956841201482 (7.42776e-07% change)
- linmin: converged after 5 iterations.
- iteration 19: trace = 4.653956819085463 (4.75209e-07% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 4.65395680993505 (1.96616e-07% change)
+ iteration 15: trace = 4.653957025852098 (3.96028e-06% change)
linmin: converged after 2 iterations.
- iteration 21: trace = 4.653956806517475 (7.34337e-08% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 4.653956805199018 (2.83298e-08% change)
+ iteration 16: trace = 4.653956928560724 (2.09051e-06% change)
+ linmin: converged after 2 iterations.
+ iteration 17: trace = 4.653956875769934 (1.13432e-06% change)
+ linmin: converged after 4 iterations.
+ iteration 18: trace = 4.653956841201479 (7.42776e-07% change)
+ linmin: converged after 4 iterations.
+ iteration 19: trace = 4.653956819085471 (4.75209e-07% change)
+ linmin: converged after 4 iterations.
+ iteration 20: trace = 4.65395680993506 (1.96616e-07% change)
linmin: converged after 2 iterations.
- iteration 23: trace = 4.653956804663047 (1.15164e-08% change)
+ iteration 21: trace = 4.653956806517484 (7.34338e-08% change)
+ linmin: converged after 2 iterations.
+ iteration 22: trace = 4.653956805199019 (2.833e-08% change)
+ linmin: converged after 12 iterations.
+ iteration 23: trace = 4.653956804663054 (1.15163e-08% change)
+ linmin: converged after 4 iterations.
+ iteration 24: trace = 4.65395680436798 (6.34029e-09% change)
linmin: converged after 15 iterations.
- iteration 24: trace = 4.653956804367977 (6.34021e-09% change)
+ iteration 25: trace = 4.653956804189203 (3.8414e-09% change)
linmin: converged after 3 iterations.
- iteration 25: trace = 4.6539568041892 (3.8414e-09% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 4.653956804095571 (2.0118e-09% change)
- linmin: converged after 6 iterations.
- iteration 27: trace = 4.653956804061927 (7.22916e-10% change)
+ iteration 26: trace = 4.653956804095573 (2.01184e-09% change)
linmin: converged after 4 iterations.
- iteration 28: trace = 4.653956804052049 (2.12256e-10% change)
+ iteration 27: trace = 4.653956804061928 (7.22935e-10% change)
linmin: converged after 4 iterations.
- iteration 29: trace = 4.653956804049409 (5.67188e-11% change)
+ iteration 28: trace = 4.653956804052052 (2.12218e-10% change)
+ linmin: converged after 16 iterations.
+ iteration 29: trace = 4.653956804049414 (5.66806e-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: 0.10408735275268555
+elapsed time for k point: 0.7726953029632568
solve_kpoint (-0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
- iteration 1: trace = 4.588920978573792 (0.874534% change)
+ iteration 1: trace = 4.588920978579226 (0.874534% change)
linmin: converged after 4 iterations.
- iteration 2: trace = 4.57524986061685 (0.29836% change)
+ iteration 2: trace = 4.575249860620828 (0.29836% change)
linmin: converged after 4 iterations.
- iteration 3: trace = 4.569227615778968 (0.131713% change)
+ iteration 3: trace = 4.569227615780713 (0.131713% change)
linmin: converged after 4 iterations.
- iteration 4: trace = 4.567129923726264 (0.0459197% change)
+ iteration 4: trace = 4.567129923727054 (0.0459197% change)
linmin: converged after 4 iterations.
- iteration 5: trace = 4.566231478753043 (0.0196739% change)
+ iteration 5: trace = 4.566231478753193 (0.0196739% change)
linmin: converged after 4 iterations.
- iteration 6: trace = 4.565933792276756 (0.00651952% change)
+ iteration 6: trace = 4.565933792276808 (0.00651952% change)
linmin: converged after 4 iterations.
- iteration 7: trace = 4.565803133406289 (0.00286164% change)
+ iteration 7: trace = 4.5658031334063 (0.00286164% change)
linmin: converged after 4 iterations.
- iteration 8: trace = 4.565757220078057 (0.0010056% change)
+ iteration 8: trace = 4.565757220078056 (0.0010056% change)
linmin: converged after 4 iterations.
- iteration 9: trace = 4.565743625954827 (0.000297741% change)
+ iteration 9: trace = 4.565743625954828 (0.000297741% change)
linmin: converged after 4 iterations.
- iteration 10: trace = 4.565739612896303 (8.7895e-05% change)
+ iteration 10: trace = 4.565739612896301 (8.7895e-05% change)
+ linmin: converged after 4 iterations.
+ iteration 11: trace = 4.565738200055287 (3.09444e-05% change)
linmin: converged after 5 iterations.
- iteration 11: trace = 4.565738200055284 (3.09444e-05% change)
+ iteration 12: trace = 4.565737746810891 (9.92708e-06% change)
linmin: converged after 4 iterations.
- iteration 12: trace = 4.565737746810886 (9.92708e-06% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 4.565737597483533 (3.27061e-06% change)
- linmin: converged after 14 iterations.
- iteration 14: trace = 4.565737552537147 (9.84428e-07% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 4.565737539290476 (2.90132e-07% change)
+ iteration 13: trace = 4.565737597483526 (3.27061e-06% change)
linmin: converged after 4 iterations.
- iteration 16: trace = 4.565737535646699 (7.9807e-08% change)
- linmin: converged after 20 iterations.
- iteration 17: trace = 4.565737534603478 (2.28489e-08% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 4.565737534315073 (6.31672e-09% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 4.565737534206799 (2.37145e-09% change)
- linmin: converged after 10 iterations.
- iteration 20: trace = 4.565737534143935 (1.37687e-09% change)
+ iteration 14: trace = 4.565737552537143 (9.84428e-07% change)
linmin: converged after 4 iterations.
- iteration 21: trace = 4.565737534100022 (9.61782e-10% change)
+ iteration 15: trace = 4.565737539290493 (2.90132e-07% change)
linmin: converged after 4 iterations.
- iteration 22: trace = 4.565737534070944 (6.36876e-10% change)
- linmin: converged after 9 iterations.
- iteration 23: trace = 4.565737534052837 (3.96591e-10% change)
+ iteration 16: trace = 4.565737535646703 (7.98072e-08% change)
linmin: converged after 3 iterations.
- iteration 24: trace = 4.565737534041937 (2.38729e-10% change)
+ iteration 17: trace = 4.565737534603482 (2.28489e-08% change)
+ linmin: converged after 2 iterations.
+ iteration 18: trace = 4.565737534315073 (6.31682e-09% change)
+ linmin: converged after 9 iterations.
+ iteration 19: trace = 4.565737534206801 (2.37139e-09% change)
+ linmin: converged after 9 iterations.
+ iteration 20: trace = 4.56573753414394 (1.37679e-09% change)
+ linmin: converged after 4 iterations.
+ iteration 21: trace = 4.565737534100022 (9.61898e-10% change)
linmin: converged after 4 iterations.
- iteration 25: trace = 4.565737534035818 (1.34032e-10% change)
+ iteration 22: trace = 4.565737534070951 (6.3674e-10% change)
+ linmin: converged after 6 iterations.
+ iteration 23: trace = 4.565737534052835 (3.96766e-10% change)
+ linmin: converged after 3 iterations.
+ iteration 24: trace = 4.565737534041939 (2.38651e-10% change)
+ linmin: converged after 3 iterations.
+ iteration 25: trace = 4.56573753403582 (1.34013e-10% change)
linmin: converged after 2 iterations.
- iteration 26: trace = 4.565737534032805 (6.5985e-11% change)
+ iteration 26: trace = 4.565737534032807 (6.60044e-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: 0.09349775314331055
+elapsed time for k point: 0.6736359596252441
solve_kpoint (-0.133333,0.133333,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
- iteration 1: trace = 4.508620212892414 (0.753199% change)
+ iteration 1: trace = 4.508620212892166 (0.753199% change)
linmin: converged after 4 iterations.
- iteration 2: trace = 4.499716957737204 (0.197667% change)
+ iteration 2: trace = 4.499716957737281 (0.197667% change)
linmin: converged after 3 iterations.
- iteration 3: trace = 4.49666086179891 (0.0679406% change)
+ iteration 3: trace = 4.49666086179896 (0.0679406% change)
linmin: converged after 4 iterations.
- iteration 4: trace = 4.495746516235467 (0.0203359% change)
+ iteration 4: trace = 4.49574651623554 (0.0203359% change)
linmin: converged after 4 iterations.
- iteration 5: trace = 4.495430397031072 (0.00703176% change)
+ iteration 5: trace = 4.495430397031109 (0.00703176% change)
linmin: converged after 4 iterations.
- iteration 6: trace = 4.495345271640691 (0.00189362% change)
+ iteration 6: trace = 4.495345271640709 (0.00189362% change)
linmin: converged after 4 iterations.
- iteration 7: trace = 4.495315544672331 (0.000661286% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 4.49530364914899 (0.000264621% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 4.495300564167793 (6.86268e-05% change)
+ iteration 7: trace = 4.495315544672334 (0.000661286% change)
+ linmin: converged after 4 iterations.
+ iteration 8: trace = 4.495303649148999 (0.000264621% change)
+ linmin: converged after 3 iterations.
+ iteration 9: trace = 4.495300564167787 (6.86268e-05% change)
linmin: converged after 3 iterations.
iteration 10: trace = 4.495299803160996 (1.69289e-05% change)
linmin: converged after 2 iterations.
- iteration 11: trace = 4.495299629871558 (3.8549e-06% change)
- linmin: converged after 13 iterations.
- iteration 12: trace = 4.495299593694353 (8.04778e-07% change)
- linmin: converged after 7 iterations.
+ iteration 11: trace = 4.495299629871562 (3.8549e-06% change)
+ linmin: converged after 4 iterations.
+ iteration 12: trace = 4.495299593694355 (8.04779e-07% change)
+ linmin: converged after 12 iterations.
iteration 13: trace = 4.495299585129779 (1.90523e-07% change)
+ linmin: converged after 2 iterations.
+ iteration 14: trace = 4.495299582963901 (4.8181e-08% change)
linmin: converged after 4 iterations.
- iteration 14: trace = 4.495299582963899 (4.8181e-08% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 4.495299582144044 (1.8238e-08% change)
+ iteration 15: trace = 4.49529958214405 (1.8238e-08% change)
+ linmin: converged after 13 iterations.
+ iteration 16: trace = 4.495299581549299 (1.32305e-08% change)
linmin: converged after 4 iterations.
- iteration 16: trace = 4.495299581549301 (1.32303e-08% change)
- linmin: converged after 5 iterations.
- iteration 17: trace = 4.495299580823794 (1.61393e-08% change)
+ iteration 17: trace = 4.495299580823787 (1.61393e-08% change)
+ linmin: converged after 4 iterations.
+ iteration 18: trace = 4.495299579922 (2.00607e-08% change)
linmin: converged after 3 iterations.
- iteration 18: trace = 4.495299579922002 (2.00608e-08% change)
+ iteration 19: trace = 4.495299579325446 (1.32706e-08% change)
linmin: converged after 4 iterations.
- iteration 19: trace = 4.495299579325446 (1.32707e-08% change)
+ iteration 20: trace = 4.495299579065505 (5.7825e-09% change)
linmin: converged after 4 iterations.
- iteration 20: trace = 4.4952995790655 (5.78263e-09% change)
- linmin: converged after 3 iterations.
- iteration 21: trace = 4.495299578960947 (2.32583e-09% change)
- linmin: converged after 2 iterations.
- iteration 22: trace = 4.49529957891384 (1.04792e-09% change)
+ iteration 21: trace = 4.495299578960951 (2.32584e-09% change)
+ linmin: converged after 12 iterations.
+ iteration 22: trace = 4.495299578913846 (1.04788e-09% change)
+ linmin: converged after 6 iterations.
+ iteration 23: trace = 4.495299578893935 (4.42933e-10% change)
linmin: converged after 3 iterations.
- iteration 23: trace = 4.495299578893932 (4.42854e-10% change)
- linmin: converged after 7 iterations.
- iteration 24: trace = 4.495299578886664 (1.61679e-10% change)
- linmin: converged after 14 iterations.
- iteration 25: trace = 4.495299578884342 (5.1667e-11% change)
+ iteration 24: trace = 4.495299578886664 (1.61738e-10% change)
+ linmin: converged after 4 iterations.
+ iteration 25: trace = 4.495299578884341 (5.16868e-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: 0.08976411819458008
+elapsed time for k point: 1.2769114971160889
solve_kpoint (-0.0666667,0.0666667,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
- iteration 1: trace = 4.473866004791003 (0.70844% change)
+ iteration 1: trace = 4.473866004790167 (0.70844% change)
linmin: converged after 4 iterations.
- iteration 2: trace = 4.466337931880181 (0.168409% change)
+ iteration 2: trace = 4.466337931879858 (0.168409% change)
linmin: converged after 4 iterations.
- iteration 3: trace = 4.464014970093519 (0.052024% change)
+ iteration 3: trace = 4.464014970093421 (0.052024% change)
linmin: converged after 3 iterations.
- iteration 4: trace = 4.463224313439734 (0.0177134% change)
+ iteration 4: trace = 4.463224313439671 (0.0177134% change)
linmin: converged after 3 iterations.
- iteration 5: trace = 4.462870601137276 (0.00792535% change)
+ iteration 5: trace = 4.462870601137229 (0.00792535% change)
linmin: converged after 3 iterations.
- iteration 6: trace = 4.462724153332465 (0.00328152% change)
+ iteration 6: trace = 4.462724153332439 (0.00328152% change)
linmin: converged after 3 iterations.
- iteration 7: trace = 4.462635338597407 (0.00199017% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 4.46258977672776 (0.00102097% change)
+ iteration 7: trace = 4.462635338597384 (0.00199017% change)
linmin: converged after 4 iterations.
- iteration 9: trace = 4.462576102002984 (0.000306431% change)
+ iteration 8: trace = 4.462589776727746 (0.00102097% change)
linmin: converged after 5 iterations.
- iteration 10: trace = 4.462571864667401 (9.49527e-05% change)
- linmin: converged after 6 iterations.
- iteration 11: trace = 4.462570546979999 (2.95275e-05% change)
+ iteration 9: trace = 4.46257610200297 (0.000306431% change)
+ linmin: converged after 5 iterations.
+ iteration 10: trace = 4.462571864667398 (9.49527e-05% change)
+ linmin: converged after 5 iterations.
+ iteration 11: trace = 4.462570546979986 (2.95275e-05% change)
linmin: converged after 3 iterations.
- iteration 12: trace = 4.462570139814236 (9.12402e-06% change)
+ iteration 12: trace = 4.462570139814225 (9.12402e-06% change)
linmin: converged after 2 iterations.
- iteration 13: trace = 4.462570010886536 (2.88909e-06% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 4.462569981202181 (6.65185e-07% change)
+ iteration 13: trace = 4.46257001088653 (2.88909e-06% change)
+ linmin: converged after 9 iterations.
+ iteration 14: trace = 4.462569981202175 (6.65185e-07% change)
linmin: converged after 4 iterations.
- iteration 15: trace = 4.462569970590494 (2.37793e-07% change)
+ iteration 15: trace = 4.46256997059049 (2.37793e-07% change)
linmin: converged after 4 iterations.
- iteration 16: trace = 4.462569966989752 (8.06876e-08% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 4.462569964422022 (5.75393e-08% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 4.462569961021073 (7.62105e-08% change)
+ iteration 16: trace = 4.462569966989745 (8.06877e-08% change)
+ linmin: converged after 30 iterations.
+ iteration 17: trace = 4.462569964422014 (5.75393e-08% change)
+ linmin: converged after 7 iterations.
+ iteration 18: trace = 4.462569961021072 (7.62104e-08% change)
large trace change predicted (1.59484e-07%)
- linmin: converged after 6 iterations.
- iteration 19: trace = 4.462569953904014 (1.59483e-07% change)
- linmin: converged after 9 iterations.
- iteration 20: trace = 4.46256994368323 (2.29034e-07% change)
- linmin: converged after 3 iterations.
- iteration 21: trace = 4.462569934609512 (2.03329e-07% change)
linmin: converged after 4 iterations.
- iteration 22: trace = 4.462569927927922 (1.49725e-07% change)
+ iteration 19: trace = 4.462569953904013 (1.59483e-07% change)
+ linmin: converged after 9 iterations.
+ iteration 20: trace = 4.462569943683237 (2.29033e-07% change)
+ linmin: converged after 2 iterations.
+ iteration 21: trace = 4.46256993460952 (2.03329e-07% change)
+ linmin: converged after 2 iterations.
+ iteration 22: trace = 4.462569927927915 (1.49725e-07% change)
linmin: converged after 4 iterations.
- iteration 23: trace = 4.462569924053909 (8.68113e-08% change)
+ iteration 23: trace = 4.462569924053907 (8.68111e-08% change)
linmin: converged after 4 iterations.
- iteration 24: trace = 4.462569921863484 (4.90844e-08% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 4.462569921105946 (1.69754e-08% change)
- linmin: converged after 5 iterations.
- iteration 26: trace = 4.462569920846201 (5.82051e-09% change)
- linmin: converged after 8 iterations.
- iteration 27: trace = 4.462569920755987 (2.02157e-09% change)
- linmin: converged after 12 iterations.
- iteration 28: trace = 4.462569920708031 (1.07463e-09% change)
+ iteration 24: trace = 4.462569921863489 (4.90842e-08% change)
linmin: converged after 4 iterations.
- iteration 29: trace = 4.462569920679469 (6.40036e-10% change)
- linmin: converged after 3 iterations.
- iteration 30: trace = 4.462569920665278 (3.17988e-10% change)
+ iteration 25: trace = 4.462569921105944 (1.69755e-08% change)
linmin: converged after 17 iterations.
- iteration 31: trace = 4.4625699206614 (8.69157e-11% change)
+ iteration 26: trace = 4.462569920846197 (5.82057e-09% change)
+ linmin: converged after 9 iterations.
+ iteration 27: trace = 4.462569920755987 (2.02147e-09% change)
+ linmin: converged after 10 iterations.
+ iteration 28: trace = 4.462569920708033 (1.07459e-09% change)
+ linmin: converged after 9 iterations.
+ iteration 29: trace = 4.462569920679466 (6.40135e-10% change)
+ linmin: converged after 5 iterations.
+ iteration 30: trace = 4.462569920665278 (3.17948e-10% change)
+ linmin: converged after 6 iterations.
+ iteration 31: trace = 4.462569920661402 (8.6856e-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: 0.11091160774230957
+elapsed time for k point: 1.3459053039550781
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 4 iterations.
- iteration 1: trace = 4.47865855560369 (0.729587% change)
+ iteration 1: trace = 4.478658555603234 (0.729587% change)
linmin: converged after 5 iterations.
- iteration 2: trace = 4.469039616061894 (0.215004% change)
+ iteration 2: trace = 4.469039616061645 (0.215004% change)
linmin: converged after 4 iterations.
- iteration 3: trace = 4.465022814409071 (0.0899211% change)
+ iteration 3: trace = 4.465022814409098 (0.0899211% change)
linmin: converged after 4 iterations.
- iteration 4: trace = 4.462099683144033 (0.0654888% change)
+ iteration 4: trace = 4.46209968314416 (0.0654888% change)
linmin: converged after 5 iterations.
- iteration 5: trace = 4.460047398383344 (0.0460043% change)
+ iteration 5: trace = 4.46004739838343 (0.0460043% change)
linmin: converged after 4 iterations.
- iteration 6: trace = 4.459144908738621 (0.020237% change)
+ iteration 6: trace = 4.459144908738708 (0.020237% change)
linmin: converged after 4 iterations.
- iteration 7: trace = 4.458741257123136 (0.00905263% change)
+ iteration 7: trace = 4.458741257123237 (0.00905263% change)
linmin: converged after 4 iterations.
- iteration 8: trace = 4.458626601085369 (0.00257152% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 4.458596309902293 (0.000679386% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 4.458587755438463 (0.000191865% change)
+ iteration 8: trace = 4.458626601085457 (0.00257152% change)
+ linmin: converged after 4 iterations.
+ iteration 9: trace = 4.45859630990237 (0.000679386% change)
linmin: converged after 4 iterations.
- iteration 11: trace = 4.458585207924791 (5.71372e-05% change)
+ iteration 10: trace = 4.458587755438534 (0.000191865% change)
+ linmin: converged after 5 iterations.
+ iteration 11: trace = 4.458585207924873 (5.71372e-05% change)
linmin: converged after 2 iterations.
- iteration 12: trace = 4.458584490013294 (1.61018e-05% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 4.458584277334562 (4.7701e-06% change)
+ iteration 12: trace = 4.458584490013369 (1.61018e-05% change)
+ linmin: converged after 20 iterations.
+ iteration 13: trace = 4.458584277334642 (4.7701e-06% change)
linmin: converged after 4 iterations.
- iteration 14: trace = 4.458584200805784 (1.71644e-06% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 4.458584152120213 (1.09195e-06% change)
+ iteration 14: trace = 4.458584200805816 (1.71644e-06% change)
+ linmin: converged after 7 iterations.
+ iteration 15: trace = 4.458584152120324 (1.09195e-06% change)
linmin: converged after 2 iterations.
- iteration 16: trace = 4.458584133462059 (4.18477e-07% change)
+ iteration 16: trace = 4.45858413346214 (4.18478e-07% change)
linmin: converged after 2 iterations.
- iteration 17: trace = 4.458584124789079 (1.94523e-07% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 4.458584118093341 (1.50176e-07% change)
+ iteration 17: trace = 4.458584124789168 (1.94523e-07% change)
+ linmin: converged after 4 iterations.
+ iteration 18: trace = 4.45858411809343 (1.50176e-07% change)
linmin: converged after 2 iterations.
- iteration 19: trace = 4.458584108088935 (2.24385e-07% change)
+ iteration 19: trace = 4.458584108089051 (2.24385e-07% change)
linmin: converged after 2 iterations.
- iteration 20: trace = 4.458584093759725 (3.21385e-07% change)
- linmin: converged after 6 iterations.
- iteration 21: trace = 4.45858407013488 (5.29873e-07% change)
+ iteration 20: trace = 4.458584093759836 (3.21385e-07% change)
+ linmin: converged after 2 iterations.
+ iteration 21: trace = 4.458584070134995 (5.29873e-07% change)
large trace change predicted (1.49557e-06%)
- linmin: converged after 14 iterations.
- iteration 22: trace = 4.458584003453388 (1.49558e-06% change)
+ linmin: converged after 18 iterations.
+ iteration 22: trace = 4.458584003453497 (1.49558e-06% change)
large trace change predicted (5.07375e-06%)
linmin: converged after 3 iterations.
- iteration 23: trace = 4.458583777244318 (5.07356e-06% change)
+ iteration 23: trace = 4.458583777244648 (5.07356e-06% change)
near maximum in trace
- linmin: converged after 12 iterations.
- iteration 24: trace = 4.458459758086347 (0.00278162% change)
- linmin: converged after 7 iterations.
- iteration 25: trace = 4.45845809310336 (3.73444e-05% change)
+ linmin: converged after 14 iterations.
+ iteration 24: trace = 4.458459758258259 (0.00278162% change)
+ linmin: converged after 8 iterations.
+ iteration 25: trace = 4.458458093271729 (3.73444e-05% change)
+ linmin: converged after 5 iterations.
+ iteration 26: trace = 4.458456431479314 (3.72728e-05% change)
+ linmin: converged after 4 iterations.
+ iteration 27: trace = 4.458454776914217 (3.71107e-05% change)
linmin: converged after 4 iterations.
- iteration 26: trace = 4.458456431314518 (3.72727e-05% change)
+ iteration 28: trace = 4.458453129860116 (3.69423e-05% change)
linmin: converged after 7 iterations.
- iteration 27: trace = 4.458454776753626 (3.71106e-05% change)
+ iteration 29: trace = 4.458451488445268 (3.68158e-05% change)
linmin: converged after 4 iterations.
- iteration 28: trace = 4.45845312970436 (3.69422e-05% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 4.458451488295024 (3.68157e-05% change)
- linmin: converged after 8 iterations.
- iteration 30: trace = 4.458449849512655 (3.67568e-05% change)
- linmin: converged after 5 iterations.
- iteration 31: trace = 4.458448209807987 (3.67775e-05% change)
+ iteration 30: trace = 4.458449849656692 (3.67569e-05% change)
linmin: converged after 5 iterations.
- iteration 32: trace = 4.458446565441435 (3.6882e-05% change)
+ iteration 31: trace = 4.458448209945043 (3.67776e-05% change)
+ linmin: converged after 7 iterations.
+ iteration 32: trace = 4.458446565570727 (3.68822e-05% change)
linmin: converged after 6 iterations.
- iteration 33: trace = 4.458444912674558 (3.70705e-05% change)
+ iteration 33: trace = 4.458444912795196 (3.70707e-05% change)
+ linmin: converged after 6 iterations.
+ iteration 34: trace = 4.458443247983713 (3.73406e-05% change)
linmin: converged after 5 iterations.
- iteration 34: trace = 4.458443247872638 (3.73404e-05% change)
- linmin: converged after 10 iterations.
- iteration 35: trace = 4.458441567558344 (3.76884e-05% change)
- linmin: converged after 10 iterations.
- iteration 36: trace = 4.458439868437202 (3.81102e-05% change)
- linmin: converged after 8 iterations.
- iteration 37: trace = 4.458438147422839 (3.86013e-05% change)
+ iteration 35: trace = 4.458441567658865 (3.76886e-05% change)
+ linmin: converged after 6 iterations.
+ iteration 36: trace = 4.458439868528528 (3.81104e-05% change)
linmin: converged after 6 iterations.
- iteration 38: trace = 4.458436401632463 (3.9157e-05% change)
+ iteration 37: trace = 4.458438147500575 (3.86016e-05% change)
+ linmin: converged after 13 iterations.
+ iteration 38: trace = 4.458436401699788 (3.91572e-05% change)
linmin: converged after 8 iterations.
- iteration 39: trace = 4.458434628420673 (3.97721e-05% change)
+ iteration 39: trace = 4.458434628472027 (3.97724e-05% change)
+ linmin: converged after 9 iterations.
+ iteration 40: trace = 4.458432825407581 (4.04417e-05% change)
+ linmin: converged after 4 iterations.
+ iteration 41: trace = 4.458430990355236 (4.11591e-05% change)
+ linmin: converged after 4 iterations.
+ iteration 42: trace = 4.458429121450291 (4.19185e-05% change)
+ linmin: converged after 10 iterations.
+ iteration 43: trace = 4.458427217142107 (4.27125e-05% change)
linmin: converged after 6 iterations.
- iteration 40: trace = 4.458432825371669 (4.04413e-05% change)
- linmin: converged after 5 iterations.
- iteration 41: trace = 4.458430990336213 (4.11588e-05% change)
+ iteration 44: trace = 4.458425276228057 (4.35336e-05% change)
linmin: converged after 6 iterations.
- iteration 42: trace = 4.458429121450739 (4.1918e-05% change)
+ iteration 45: trace = 4.458423297905146 (4.43727e-05% change)
linmin: converged after 5 iterations.
- iteration 43: trace = 4.458427217170018 (4.27119e-05% change)
- linmin: converged after 6 iterations.
- iteration 44: trace = 4.45842527627803 (4.35331e-05% change)
+ iteration 46: trace = 4.458421281761492 (4.5221e-05% change)
linmin: converged after 5 iterations.
- iteration 45: trace = 4.458423297979061 (4.43722e-05% change)
+ iteration 47: trace = 4.458419227817391 (4.60689e-05% change)
+ linmin: converged after 5 iterations.
+ iteration 48: trace = 4.458417136633884 (4.69042e-05% change)
+ linmin: converged after 7 iterations.
+ iteration 49: trace = 4.458415009253079 (4.77161e-05% change)
+ linmin: converged after 12 iterations.
+ iteration 50: trace = 4.458412847235103 (4.8493e-05% change)
linmin: converged after 9 iterations.
- iteration 46: trace = 4.45842128183593 (4.5221e-05% change)
+ iteration 51: trace = 4.45841065266303 (4.92232e-05% change)
linmin: converged after 5 iterations.
- iteration 47: trace = 4.458419227918975 (4.60683e-05% change)
+ iteration 52: trace = 4.458408428168314 (4.98944e-05% change)
+ linmin: converged after 4 iterations.
+ iteration 53: trace = 4.458406176651217 (5.05005e-05% change)
linmin: converged after 5 iterations.
- iteration 48: trace = 4.458417136764045 (4.69035e-05% change)
+ iteration 54: trace = 4.458403901626262 (5.10278e-05% change)
+ linmin: converged after 11 iterations.
+ iteration 55: trace = 4.458401606872811 (5.14703e-05% change)
linmin: converged after 7 iterations.
- iteration 49: trace = 4.458415009413182 (4.77154e-05% change)
+ iteration 56: trace = 4.458399296427462 (5.18223e-05% change)
+ linmin: converged after 9 iterations.
+ iteration 57: trace = 4.45839697445953 (5.20808e-05% change)
linmin: converged after 4 iterations.
- iteration 50: trace = 4.458412847426382 (4.84923e-05% change)
- linmin: converged after 7 iterations.
- iteration 51: trace = 4.458410652879671 (4.92226e-05% change)
- linmin: converged after 7 iterations.
- iteration 52: trace = 4.45840842834688 (4.98952e-05% change)
- linmin: converged after 5 iterations.
- iteration 53: trace = 4.458406176863647 (5.04997e-05% change)
- linmin: converged after 5 iterations.
- iteration 54: trace = 4.458403901873035 (5.1027e-05% change)
- linmin: converged after 18 iterations.
- iteration 55: trace = 4.45840160715417 (5.14695e-05% change)
- linmin: converged after 5 iterations.
- iteration 56: trace = 4.45839929679653 (5.18203e-05% change)
- linmin: converged after 5 iterations.
- iteration 57: trace = 4.45839697486293 (5.208e-05% change)
+ iteration 58: trace = 4.45839464521191 (5.22441e-05% change)
linmin: converged after 7 iterations.
- iteration 58: trace = 4.458394645649191 (5.22433e-05% change)
- linmin: converged after 12 iterations.
- iteration 59: trace = 4.458392313342166 (5.23127e-05% change)
+ iteration 59: trace = 4.45839231287166 (5.23135e-05% change)
linmin: converged after 5 iterations.
- iteration 60: trace = 4.458389981994917 (5.22912e-05% change)
+ iteration 60: trace = 4.458389981481892 (5.22922e-05% change)
linmin: converged after 6 iterations.
- iteration 61: trace = 4.458387655402004 (5.21846e-05% change)
- linmin: converged after 5 iterations.
- iteration 62: trace = 4.458385337090715 (5.19989e-05% change)
- linmin: converged after 5 iterations.
- iteration 63: trace = 4.458383030228237 (5.17421e-05% change)
- linmin: converged after 5 iterations.
- iteration 64: trace = 4.458380737597496 (5.14229e-05% change)
- linmin: converged after 5 iterations.
- iteration 65: trace = 4.458378461580468 (5.10503e-05% change)
+ iteration 61: trace = 4.458387654857571 (5.21853e-05% change)
+ linmin: converged after 7 iterations.
+ iteration 62: trace = 4.458385336515951 (5.19996e-05% change)
linmin: converged after 9 iterations.
- iteration 66: trace = 4.458376204157597 (5.06333e-05% change)
+ iteration 63: trace = 4.458383029624313 (5.17428e-05% change)
linmin: converged after 5 iterations.
- iteration 67: trace = 4.458373966983598 (5.01791e-05% change)
+ iteration 64: trace = 4.458380736965614 (5.14236e-05% change)
linmin: converged after 5 iterations.
- iteration 68: trace = 4.45837175115985 (4.97003e-05% change)
- linmin: converged after 13 iterations.
- iteration 69: trace = 4.458369557643537 (4.92e-05% change)
+ iteration 65: trace = 4.458378460921876 (5.10509e-05% change)
+ linmin: converged after 10 iterations.
+ iteration 66: trace = 4.458376203473506 (5.06339e-05% change)
+ linmin: converged after 7 iterations.
+ iteration 67: trace = 4.458373966212359 (5.01811e-05% change)
+ linmin: converged after 9 iterations.
+ iteration 68: trace = 4.458371750365546 (4.97008e-05% change)
+ linmin: converged after 6 iterations.
+ iteration 69: trace = 4.458369556863608 (4.91996e-05% change)
resetting CG direction...
- large trace change predicted (0.0705974%)
+ large trace change predicted (0.0705969%)
linmin: converged after 3 iterations.
- iteration 70: trace = 4.455218396810412 (0.0707047% change)
+ iteration 70: trace = 4.455218417331746 (0.0707042% change)
linmin: converged after 3 iterations.
- iteration 71: trace = 4.454076270045077 (0.025639% change)
+ iteration 71: trace = 4.454076296259893 (0.0256389% change)
linmin: converged after 3 iterations.
- iteration 72: trace = 4.453233400311123 (0.0189253% change)
+ iteration 72: trace = 4.453233406692878 (0.0189258% change)
linmin: converged after 3 iterations.
- iteration 73: trace = 4.452750387012768 (0.0108469% change)
+ iteration 73: trace = 4.452750380913497 (0.0108472% change)
linmin: converged after 3 iterations.
- iteration 74: trace = 4.452486228782018 (0.00593265% change)
+ iteration 74: trace = 4.452486222085326 (0.00593266% change)
linmin: converged after 3 iterations.
- iteration 75: trace = 4.452381361974496 (0.00235527% change)
+ iteration 75: trace = 4.452381354921903 (0.00235528% change)
linmin: converged after 3 iterations.
- iteration 76: trace = 4.452332149411394 (0.00110531% change)
+ iteration 76: trace = 4.452332142006135 (0.00110532% change)
linmin: converged after 3 iterations.
- iteration 77: trace = 4.452312688637566 (0.000437093% change)
+ iteration 77: trace = 4.452312681237569 (0.000437093% change)
linmin: converged after 3 iterations.
- iteration 78: trace = 4.45230071607409 (0.000268907% change)
+ iteration 78: trace = 4.452300708973491 (0.0002689% change)
linmin: converged after 3 iterations.
- iteration 79: trace = 4.452288399612123 (0.000276632% change)
- linmin: converged after 4 iterations.
- iteration 80: trace = 4.452272809489926 (0.00035016% change)
- linmin: converged after 5 iterations.
- iteration 81: trace = 4.452249236224402 (0.000529467% change)
+ iteration 79: trace = 4.452288392860877 (0.000276624% change)
linmin: converged after 3 iterations.
- iteration 82: trace = 4.452204263419688 (0.00101012% change)
- linmin: converged after 5 iterations.
- iteration 83: trace = 4.452119848004346 (0.00189605% change)
- linmin: converged after 23 iterations.
- iteration 84: trace = 4.452030544098405 (0.00200589% change)
+ iteration 80: trace = 4.45227280294268 (0.000350156% change)
linmin: converged after 4 iterations.
- iteration 85: trace = 4.451975523041291 (0.00123587% change)
+ iteration 81: trace = 4.452249230430278 (0.00052945% change)
linmin: converged after 3 iterations.
- iteration 86: trace = 4.451956336662034 (0.000430964% change)
- linmin: converged after 3 iterations.
- iteration 87: trace = 4.451951182938001 (0.000115763% change)
- linmin: converged after 5 iterations.
- iteration 88: trace = 4.451949926952263 (2.8212e-05% change)
- linmin: converged after 2 iterations.
- iteration 89: trace = 4.451949633719559 (6.58661e-06% change)
- linmin: converged after 2 iterations.
- iteration 90: trace = 4.451949555041382 (1.76727e-06% change)
- linmin: converged after 2 iterations.
- iteration 91: trace = 4.451949527225949 (6.24792e-07% change)
+ iteration 82: trace = 4.452204259118691 (0.00101009% change)
linmin: converged after 4 iterations.
- iteration 92: trace = 4.451949519990793 (1.62517e-07% change)
+ iteration 83: trace = 4.452119844876349 (0.00189603% change)
linmin: converged after 4 iterations.
- iteration 93: trace = 4.45194951832263 (3.74704e-08% change)
- linmin: converged after 23 iterations.
- iteration 94: trace = 4.451949517532587 (1.7746e-08% change)
- linmin: converged after 3 iterations.
- iteration 95: trace = 4.45194951702074 (1.14972e-08% change)
+ iteration 84: trace = 4.452030543673131 (0.00200583% change)
linmin: converged after 4 iterations.
- iteration 96: trace = 4.451949516566152 (1.0211e-08% change)
- linmin: converged after 2 iterations.
- iteration 97: trace = 4.451949516312337 (5.70122e-09% change)
- linmin: converged after 18 iterations.
- iteration 98: trace = 4.45194951618685 (2.8187e-09% change)
+ iteration 85: trace = 4.45197552293584 (0.00123586% change)
+ linmin: converged after 5 iterations.
+ iteration 86: trace = 4.451956336682908 (0.000430961% change)
linmin: converged after 3 iterations.
- iteration 99: trace = 4.451949516112386 (1.67262e-09% change)
- large trace change predicted (3.4224e-09%)
+ iteration 87: trace = 4.451951182937841 (0.000115764% change)
linmin: converged after 4 iterations.
- iteration 100: trace = 4.451949515960023 (3.42238e-09% change)
- linmin: converged after 2 iterations.
- iteration 101: trace = 4.451949515673266 (6.44116e-09% change)
+ iteration 88: trace = 4.451949926952084 (2.8212e-05% change)
+ linmin: converged after 5 iterations.
+ iteration 89: trace = 4.451949633716959 (6.58667e-06% change)
linmin: converged after 8 iterations.
- iteration 102: trace = 4.451949515254093 (9.4155e-09% change)
+ iteration 90: trace = 4.451949555039724 (1.76725e-06% change)
linmin: converged after 2 iterations.
- iteration 103: trace = 4.451949514776699 (1.07233e-08% change)
+ iteration 91: trace = 4.451949527224587 (6.24786e-07% change)
+ linmin: converged after 3 iterations.
+ iteration 92: trace = 4.451949519989509 (1.62515e-07% change)
+ linmin: converged after 3 iterations.
+ iteration 93: trace = 4.451949518321409 (3.7469e-08% change)
+ linmin: converged after 3 iterations.
+ iteration 94: trace = 4.451949517531421 (1.77448e-08% change)
linmin: converged after 2 iterations.
- iteration 104: trace = 4.451949514168536 (1.36606e-08% change)
+ iteration 95: trace = 4.451949517019614 (1.14963e-08% change)
+ linmin: converged after 3 iterations.
+ iteration 96: trace = 4.451949516565088 (1.02096e-08% change)
+ linmin: converged after 3 iterations.
+ iteration 97: trace = 4.45194951631131 (5.70039e-09% change)
+ linmin: converged after 4 iterations.
+ iteration 98: trace = 4.451949516185847 (2.81816e-09% change)
+ linmin: converged after 4 iterations.
+ iteration 99: trace = 4.451949516111416 (1.67188e-09% change)
+ large trace change predicted (3.42048e-09%)
+ linmin: converged after 4 iterations.
+ iteration 100: trace = 4.451949515959136 (3.42052e-09% change)
+ linmin: converged after 6 iterations.
+ iteration 101: trace = 4.451949515672546 (6.43739e-09% change)
linmin: converged after 2 iterations.
- iteration 105: trace = 4.45194951364144 (1.18397e-08% change)
+ iteration 102: trace = 4.451949515253594 (9.41055e-09% change)
+ linmin: converged after 3 iterations.
+ iteration 103: trace = 4.451949514776404 (1.07187e-08% change)
+ linmin: converged after 3 iterations.
+ iteration 104: trace = 4.45194951416843 (1.36564e-08% change)
linmin: converged after 3 iterations.
- iteration 106: trace = 4.451949513445264 (4.40653e-09% change)
+ iteration 105: trace = 4.451949513641427 (1.18376e-08% change)
linmin: converged after 2 iterations.
- iteration 107: trace = 4.451949513374775 (1.58334e-09% change)
+ iteration 106: trace = 4.451949513445262 (4.40627e-09% change)
+ linmin: converged after 12 iterations.
+ iteration 107: trace = 4.451949513374777 (1.58324e-09% change)
linmin: converged after 7 iterations.
- iteration 108: trace = 4.451949513356686 (4.06308e-10% change)
+ iteration 108: trace = 4.451949513356691 (4.06248e-10% change)
linmin: converged after 3 iterations.
- iteration 109: trace = 4.451949513352735 (8.8739e-11% change)
+ iteration 109: trace = 4.45194951335274 (8.8759e-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: 0.2973320484161377
-Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2993049473117479 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
-Band 2 range: 0.4924342823622071 at Vector3<0.0, 0.5, 0.0> to 0.6568362683499382 at Vector3<0.0, 0.0, 0.0>
-Band 3 range: 0.5269710506448816 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7156232200212519 at Vector3<0.0, 0.0, 0.0>
-Band 4 range: 0.6568031427446037 at Vector3<0.0, 0.5, 0.0> to 0.7578382217502106 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
-Band 5 range: 0.7383774303752574 at Vector3<0.0, 0.0, 0.0> to 0.7988168792802606 at Vector3<0.0, 0.5, 0.0>
-Band 6 range: 0.8259787164701549 at Vector3<0.0, 0.0, 0.0> to 0.9629215441012391 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
-Band 7 range: 0.8271634538840902 at Vector3<0.0, 0.0, 0.0> to 0.9834563303529569 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
-Band 8 range: 0.9984200611839884 at Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> to 1.041155125207904 at Vector3<0.0, 0.0, 0.0>
-Gap from band 1 (0.2993049473117479) to band 2 (0.4924342823622071), 48.786097192630336%
-Gap from band 5 (0.7988168792802606) to band 6 (0.8259787164701549), 3.343415905475733%
-Gap from band 7 (0.9834563303529569) to band 8 (0.9984200611839884), 1.5100569233207481%
-total elapsed time for run: 3.341460704803467
+elapsed time for k point: 3.0503506660461426
+Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2993049473117477 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
+Band 2 range: 0.4924342823622063 at Vector3<0.0, 0.5, 0.0> to 0.6568362683499379 at Vector3<0.0, 0.0, 0.0>
+Band 3 range: 0.5269710506448819 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7156232200212523 at Vector3<0.0, 0.0, 0.0>
+Band 4 range: 0.6568031427446029 at Vector3<0.0, 0.5, 0.0> to 0.7578382217502106 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
+Band 5 range: 0.7383774303752576 at Vector3<0.0, 0.0, 0.0> to 0.7988168792802595 at Vector3<0.0, 0.5, 0.0>
+Band 6 range: 0.8259787164701542 at Vector3<0.0, 0.0, 0.0> to 0.9629215441012401 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
+Band 7 range: 0.8271634538840895 at Vector3<0.0, 0.0, 0.0> to 0.9834563303529579 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
+Band 8 range: 0.9984200611839876 at Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> to 1.0411551252079054 at Vector3<0.0, 0.0, 0.0>
+Gap from band 1 (0.2993049473117477) to band 2 (0.4924342823622063), 48.78609719263024%
+Gap from band 5 (0.7988168792802595) to band 6 (0.8259787164701542), 3.343415905475791%
+Gap from band 7 (0.9834563303529579) to band 8 (0.9984200611839876), 1.5100569233205687%
+total elapsed time for run: 16.85823130607605
done
Initializing eigensolver data
Computing 8 bands with 1e-12 tolerance
@@ -92477,7 +92501,7 @@
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: 0.0026094913482666016
+elapsed time for initialization: 0.019101619720458984
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...
@@ -92546,7 +92570,7 @@
iteration 31: trace = 2.862490688618994 (4.54718e-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: 0.08631253242492676
+elapsed time for k point: 0.6145899295806885
solve_kpoint (0,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -92591,7 +92615,7 @@
iteration 20: trace = 2.835301328478703 (6.87286e-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: 0.07315230369567871
+elapsed time for k point: 0.4629533290863037
solve_kpoint (0,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 6 iterations.
@@ -92628,7 +92652,7 @@
iteration 16: trace = 2.795630871597669 (2.53209e-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: 0.05844879150390625
+elapsed time for k point: 0.405071496963501
solve_kpoint (0,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 7 iterations.
@@ -92661,7 +92685,7 @@
iteration 14: trace = 2.771565390381667 (1.5959e-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: 0.19239497184753418
+elapsed time for k point: 0.2155754566192627
solve_kpoint (0,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -92692,7 +92716,7 @@
iteration 13: trace = 2.764617094107781 (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: 0.047783851623535156
+elapsed time for k point: 0.1309058666229248
solve_kpoint (0,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -92727,7 +92751,7 @@
iteration 15: trace = 2.765514654374654 (5.35377e-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: 0.05487060546875
+elapsed time for k point: 0.12723612785339355
solve_kpoint (-0.0666667,0.466667,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -92760,7 +92784,7 @@
iteration 14: trace = 2.76565609734263 (9.75962e-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: 0.05135703086853027
+elapsed time for k point: 0.16318655014038086
solve_kpoint (-0.133333,0.433333,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -92795,7 +92819,7 @@
iteration 15: trace = 2.766440393053366 (2.33407e-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: 0.05502939224243164
+elapsed time for k point: 0.14046597480773926
solve_kpoint (-0.2,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -92830,7 +92854,7 @@
iteration 15: trace = 2.768905996249786 (5.58779e-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: 0.05511665344238281
+elapsed time for k point: 0.13450193405151367
solve_kpoint (-0.266667,0.366667,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -92867,7 +92891,7 @@
iteration 16: trace = 2.774529530826194 (2.4329e-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: 0.058333635330200195
+elapsed time for k point: 0.14159393310546875
solve_kpoint (-0.333333,0.333333,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -92929,7 +92953,7 @@
iteration 27: trace = 2.78440413069857 (2.00003e-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: 0.14429354667663574
+elapsed time for k point: 0.2585127353668213
solve_kpoint (-0.266667,0.266667,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -92964,7 +92988,7 @@
iteration 15: trace = 2.766275694185342 (1.16229e-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: 0.055150508880615234
+elapsed time for k point: 0.23771071434020996
solve_kpoint (-0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 8 iterations.
@@ -92995,7 +93019,7 @@
iteration 13: trace = 2.765766574968628 (1.10791e-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: 0.19083929061889648
+elapsed time for k point: 0.342134952545166
solve_kpoint (-0.133333,0.133333,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -93026,7 +93050,7 @@
iteration 13: trace = 2.786825446005419 (1.53616e-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: 0.048459529876708984
+elapsed time for k point: 0.22243165969848633
solve_kpoint (-0.0666667,0.0666667,0):
Solving for bands 1 to 8...
linmin: converged after 8 iterations.
@@ -93067,7 +93091,7 @@
iteration 18: trace = 2.82927027988534 (1.612e-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: 0.0676875114440918
+elapsed time for k point: 0.3586616516113281
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 5 iterations.
@@ -93135,7 +93159,7 @@
iteration 31: trace = 2.862490688618609 (3.03921e-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: 0.27460145950317383
+.elapsed time for k point: 0.2552170753479004
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: 0.2801552391378436 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.3985126081046681 at Vector3<0.0, 0.0, 0.0>
Band 3 range: 0.4390817228448607 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.49288810189980536 at Vector3<0.0, 0.0, 0.0>
@@ -93150,11 +93174,11 @@
Gap from band 4 (0.5808701365268188) to band 5 (0.581035246804371), 0.028420606345552785%
Gap from band 5 (0.6824860801372994) to band 6 (0.6825317446715007), 0.006690686871827688%
Gap from band 7 (0.7841042622393071) to band 8 (0.7980077872594095), 1.7575904341930328%
-total elapsed time for run: 1.517915964126587
+total elapsed time for run: 4.233124256134033
done
-/tmp/meepFBAM2J/test_tri_holes-0: 4.86s
+/tmp/meepYM7cP9/test_tri_holes-0: 21.10s
-/tmp/meepFBAM2J/test_tri_rods-0
+/tmp/meepYM7cP9/test_tri_rods-0
========================
Initializing eigensolver data
Computing 8 bands with 1e-12 tolerance
@@ -93196,7 +93220,7 @@
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: 0.0018525123596191406
+elapsed time for initialization: 0.008077383041381836
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...
@@ -93251,7 +93275,7 @@
iteration 24: trace = 4.5778946265728 (4.37309e-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: 0.06749916076660156
+elapsed time for k point: 0.4040241241455078
solve_kpoint (0,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -93292,7 +93316,7 @@
iteration 18: trace = 4.546667003404458 (4.24294e-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: 0.06551933288574219
+elapsed time for k point: 0.3864624500274658
solve_kpoint (0,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -93327,7 +93351,7 @@
iteration 15: trace = 4.456771796562707 (4.08938e-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: 0.059893131256103516
+elapsed time for k point: 0.22473907470703125
solve_kpoint (0,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -93360,7 +93384,7 @@
iteration 14: trace = 4.364565233298256 (3.14607e-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: 0.20642614364624023
+elapsed time for k point: 0.2244560718536377
solve_kpoint (0,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -93391,7 +93415,7 @@
iteration 13: trace = 4.304069964437605 (7.18332e-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: 0.25809407234191895
+elapsed time for k point: 0.20298314094543457
solve_kpoint (0,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -93422,7 +93446,7 @@
iteration 13: trace = 4.283477065616429 (4.147e-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: 0.04788017272949219
+elapsed time for k point: 0.1956648826599121
solve_kpoint (-0.0666667,0.466667,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -93451,7 +93475,7 @@
iteration 12: trace = 4.264474631199774 (8.72667e-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: 0.04513883590698242
+elapsed time for k point: 0.2231743335723877
solve_kpoint (-0.133333,0.433333,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -93480,7 +93504,7 @@
iteration 12: trace = 4.228595652264468 (8.17059e-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: 0.04439949989318848
+elapsed time for k point: 0.31380391120910645
solve_kpoint (-0.2,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -93505,7 +93529,7 @@
iteration 10: trace = 4.19657782122971 (9.13665e-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: 0.037358760833740234
+elapsed time for k point: 0.1770486831665039
solve_kpoint (-0.266667,0.366667,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -93530,7 +93554,7 @@
iteration 10: trace = 4.17565176133351 (5.30059e-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: 0.12113690376281738
+elapsed time for k point: 0.3413825035095215
solve_kpoint (-0.333333,0.333333,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -93553,23 +93577,23 @@
iteration 9: trace = 4.168411689609144 (8.90221e-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: 0.033856868743896484
+elapsed time for k point: 0.4155251979827881
Fixing e-field (band 1) phase by -1 + 4.11947e-08i; max ampl. = 0.93911
-Outputting fields to /tmp/meepFBAM2J/test_tri_rods-0-e.k11.b01.z.tm.h5...
+Outputting fields to /tmp/meepYM7cP9/test_tri_rods-0-e.k11.b01.z.tm.h5...
Fixing e-field (band 2) phase by -4.11947e-08 + -1i; max ampl. = 1.08316
-Outputting fields to /tmp/meepFBAM2J/test_tri_rods-0-e.k11.b02.z.tm.h5...
+Outputting fields to /tmp/meepYM7cP9/test_tri_rods-0-e.k11.b02.z.tm.h5...
Fixing e-field (band 3) phase by 1 + -4.11947e-08i; max ampl. = 0.877953
-Outputting fields to /tmp/meepFBAM2J/test_tri_rods-0-e.k11.b03.z.tm.h5...
+Outputting fields to /tmp/meepYM7cP9/test_tri_rods-0-e.k11.b03.z.tm.h5...
Fixing e-field (band 4) phase by 1 + -4.11947e-08i; max ampl. = 1.24657
-Outputting fields to /tmp/meepFBAM2J/test_tri_rods-0-e.k11.b04.z.tm.h5...
+Outputting fields to /tmp/meepYM7cP9/test_tri_rods-0-e.k11.b04.z.tm.h5...
Fixing e-field (band 5) phase by 4.11947e-08 + 1i; max ampl. = 1.10168
-Outputting fields to /tmp/meepFBAM2J/test_tri_rods-0-e.k11.b05.z.tm.h5...
+Outputting fields to /tmp/meepYM7cP9/test_tri_rods-0-e.k11.b05.z.tm.h5...
Fixing e-field (band 6) phase by -1 + 4.11949e-08i; max ampl. = 1.76186
-Outputting fields to /tmp/meepFBAM2J/test_tri_rods-0-e.k11.b06.z.tm.h5...
+Outputting fields to /tmp/meepYM7cP9/test_tri_rods-0-e.k11.b06.z.tm.h5...
Fixing e-field (band 7) phase by -1 + 4.11947e-08i; max ampl. = 1.0881
-Outputting fields to /tmp/meepFBAM2J/test_tri_rods-0-e.k11.b07.z.tm.h5...
+Outputting fields to /tmp/meepYM7cP9/test_tri_rods-0-e.k11.b07.z.tm.h5...
Fixing e-field (band 8) phase by -1 + 4.11947e-08i; max ampl. = 1.08096
-Outputting fields to /tmp/meepFBAM2J/test_tri_rods-0-e.k11.b08.z.tm.h5...
+Outputting fields to /tmp/meepYM7cP9/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.
@@ -93596,7 +93620,7 @@
iteration 11: trace = 4.197854050309301 (1.33506e-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: 0.041033267974853516
+elapsed time for k point: 0.40541982650756836
solve_kpoint (-0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -93625,7 +93649,7 @@
iteration 12: trace = 4.283266488990682 (1.1156e-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: 0.10281491279602051
+elapsed time for k point: 0.3183577060699463
solve_kpoint (-0.133333,0.133333,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -93656,7 +93680,7 @@
iteration 13: trace = 4.410102274545235 (2.52551e-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: 0.04856586456298828
+elapsed time for k point: 0.15732526779174805
solve_kpoint (-0.0666667,0.0666667,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -93695,7 +93719,7 @@
iteration 17: trace = 4.534517622757205 (7.84657e-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: 0.062056779861450195
+elapsed time for k point: 0.3742225170135498
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 4 iterations.
@@ -93732,7 +93756,7 @@
iteration 16: trace = 4.577894626572485 (2.54547e-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: 0.4000577926635742
+elapsed time for k point: 0.28982973098754883
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2746902258623629 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
Band 2 range: 0.4453310808471575 at Vector3<0.0, 0.5, 0.0> to 0.5605181423162836 at Vector3<0.0, 0.0, 0.0>
Band 3 range: 0.4902389149027673 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.5605607947797744 at Vector3<0.0, 0.0, 0.0>
@@ -93746,7 +93770,7 @@
Gap from band 4 (0.7907195974443696) to band 5 (0.7908320763327565), 0.01422386511321756%
Gap from band 5 (0.8374511167537543) to band 6 (0.8375948528443258), 0.01716204727276697%
Gap from band 6 (0.8672009264903452) to band 7 (0.8691349955739195), 0.2227759109279908%
-total elapsed time for run: 1.7075068950653076
+total elapsed time for run: 4.834475040435791
done
Read lattice vectors
Read Bloch wavevector (-0.333333, 0.333333, 0)
@@ -93796,7 +93820,7 @@
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: 0.0019404888153076172
+elapsed time for initialization: 0.008716106414794922
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...
@@ -93915,7 +93939,7 @@
iteration 56: trace = 6.205337647125874 (6.94044e-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: 0.30965113639831543
+elapsed time for k point: 1.0015947818756104
solve_kpoint (0,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -93982,7 +94006,7 @@
iteration 31: trace = 6.070460070673304 (7.6916e-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: 0.11714458465576172
+elapsed time for k point: 0.6386895179748535
solve_kpoint (0,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -94045,7 +94069,7 @@
iteration 29: trace = 5.856237734706169 (2.88919e-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: 0.3233768939971924
+elapsed time for k point: 0.8576011657714844
solve_kpoint (0,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -94100,7 +94124,7 @@
iteration 25: trace = 5.679316226598069 (4.87306e-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: 0.38509631156921387
+elapsed time for k point: 1.0221152305603027
solve_kpoint (0,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 3 iterations.
@@ -94151,7 +94175,7 @@
iteration 23: trace = 5.56735694453921 (5.39382e-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: 0.1676316261291504
+elapsed time for k point: 0.9563169479370117
solve_kpoint (0,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 3 iterations.
@@ -94200,7 +94224,7 @@
iteration 22: trace = 5.529271313719442 (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: 0.08700108528137207
+elapsed time for k point: 1.2201013565063477
solve_kpoint (-0.0666667,0.466667,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -94253,7 +94277,7 @@
iteration 24: trace = 5.532153606068913 (8.04829e-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: 0.21902155876159668
+elapsed time for k point: 1.5896086692810059
solve_kpoint (-0.133333,0.433333,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -94306,7 +94330,7 @@
iteration 24: trace = 5.534695993739172 (6.49922e-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: 0.2778165340423584
+elapsed time for k point: 1.7435364723205566
solve_kpoint (-0.2,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -94357,7 +94381,7 @@
iteration 23: trace = 5.52714002396694 (5.32379e-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: 0.09108161926269531
+elapsed time for k point: 0.7055768966674805
solve_kpoint (-0.266667,0.366667,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -94406,7 +94430,7 @@
iteration 22: trace = 5.514581486526155 (5.592e-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: 0.1454944610595703
+elapsed time for k point: 1.172276258468628
solve_kpoint (-0.333333,0.333333,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -94449,7 +94473,7 @@
iteration 19: trace = 5.508642232131613 (7.06203e-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: 0.17312169075012207
+elapsed time for k point: 1.6829190254211426
solve_kpoint (-0.266667,0.266667,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -94496,7 +94520,7 @@
iteration 21: trace = 5.538947612933672 (6.51027e-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: 0.34491920471191406
+elapsed time for k point: 1.7602300643920898
solve_kpoint (-0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 3 iterations.
@@ -94545,7 +94569,7 @@
iteration 22: trace = 5.636892705526575 (7.80421e-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: 0.4016292095184326
+elapsed time for k point: 0.5386579036712646
solve_kpoint (-0.133333,0.133333,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -94604,7 +94628,7 @@
iteration 27: trace = 5.807436111839936 (8.67618e-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: 0.0974893569946289
+elapsed time for k point: 0.4062623977661133
solve_kpoint (-0.0666667,0.0666667,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -94675,7 +94699,7 @@
iteration 33: trace = 6.039148745478512 (4.55476e-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: 0.25391054153442383
+elapsed time for k point: 0.5171282291412354
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 6 iterations.
@@ -94750,7 +94774,7 @@
iteration 35: trace = 6.205337647122205 (8.30305e-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: 0.09675431251525879
+elapsed time for k point: 0.34584879875183105
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4912358118675781 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
Band 2 range: 0.47307223902807555 at Vector3<0.0, 0.5, 0.0> to 0.5631059378714026 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
Band 3 range: 0.5631505198559037 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7939289395839764 at Vector3<0.0, 0.0, 0.0>
@@ -94761,7 +94785,7 @@
Band 8 range: 1.1086626585374233 at Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> to 1.116810719125538 at Vector3<0.0, 0.0, 0.0>
Gap from band 2 (0.5631059378714026) to band 3 (0.5631505198559037), 0.00791684419568924%
Gap from band 4 (0.8214230044191518) to band 5 (0.8651948144415254), 5.190483526604943%
-total elapsed time for run: 3.494719982147217
+total elapsed time for run: 16.17631435394287
done
epsilon: 1-12, mean 2.59614, harm. mean 1.17149, 17.2852% > 1, 14.5104% "fill"
Read lattice vectors
@@ -94771,9 +94795,9 @@
Input data is rank 2, size 32x32x1.
Output data 96x83x1
real part range: 1 .. 12
-./tmp/meepFBAM2J/test_tri_rods-0: 5.22s
+./tmp/meepYM7cP9/test_tri_rods-0: 21.09s
-/tmp/meepFBAM2J/test_triangular_lattice-0
+/tmp/meepYM7cP9/test_triangular_lattice-0
========================
Initializing eigensolver data
Computing 8 bands with 1e-12 tolerance
@@ -94816,7 +94840,7 @@
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: 0.0017921924591064453
+elapsed time for initialization: 0.00481414794921875
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...
@@ -94871,7 +94895,7 @@
iteration 24: trace = 4.5778946265728 (4.37309e-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: 0.06793713569641113
+elapsed time for k point: 0.2510242462158203
solve_kpoint (0,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -94912,7 +94936,7 @@
iteration 18: trace = 4.546667003404458 (4.24294e-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: 0.06551074981689453
+elapsed time for k point: 0.9357602596282959
solve_kpoint (0,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -94947,7 +94971,7 @@
iteration 15: trace = 4.456771796562707 (4.08938e-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: 0.09832382202148438
+elapsed time for k point: 0.7819046974182129
solve_kpoint (0,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -94980,7 +95004,7 @@
iteration 14: trace = 4.364565233298256 (3.14607e-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: 0.05142855644226074
+elapsed time for k point: 0.5017671585083008
solve_kpoint (0,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -95011,7 +95035,7 @@
iteration 13: trace = 4.304069964437605 (7.18332e-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: 0.04807400703430176
+elapsed time for k point: 0.3254365921020508
solve_kpoint (0,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -95042,7 +95066,7 @@
iteration 13: trace = 4.283477065616429 (4.147e-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: 0.048036813735961914
+elapsed time for k point: 0.31293559074401855
solve_kpoint (-0.0666667,0.466667,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -95071,7 +95095,7 @@
iteration 12: trace = 4.264474631199774 (8.72667e-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: 0.04438972473144531
+elapsed time for k point: 0.3489663600921631
solve_kpoint (-0.133333,0.433333,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -95100,7 +95124,7 @@
iteration 12: trace = 4.228595652264468 (8.17059e-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: 0.04421377182006836
+elapsed time for k point: 0.4770529270172119
solve_kpoint (-0.2,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -95125,7 +95149,7 @@
iteration 10: trace = 4.19657782122971 (9.13665e-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: 0.03739786148071289
+elapsed time for k point: 0.6199686527252197
solve_kpoint (-0.266667,0.366667,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -95150,7 +95174,7 @@
iteration 10: trace = 4.17565176133351 (5.30059e-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: 0.14470171928405762
+elapsed time for k point: 0.6401524543762207
solve_kpoint (-0.333333,0.333333,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -95173,7 +95197,7 @@
iteration 9: trace = 4.168411689609144 (8.90221e-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: 0.038979530334472656
+elapsed time for k point: 0.19122910499572754
solve_kpoint (-0.266667,0.266667,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -95200,7 +95224,7 @@
iteration 11: trace = 4.1978540503093 (1.33506e-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: 0.2861499786376953
+elapsed time for k point: 0.35372185707092285
solve_kpoint (-0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -95229,7 +95253,7 @@
iteration 12: trace = 4.283266488990683 (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: 0.04825615882873535
+elapsed time for k point: 0.19769501686096191
solve_kpoint (-0.133333,0.133333,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
@@ -95260,7 +95284,7 @@
iteration 13: trace = 4.410102274545241 (2.50738e-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: 0.058219194412231445
+elapsed time for k point: 0.44675374031066895
solve_kpoint (-0.0666667,0.0666667,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
@@ -95299,7 +95323,7 @@
iteration 17: trace = 4.534517622757207 (7.84657e-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: 0.1913459300994873
+elapsed time for k point: 0.39887571334838867
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 4 iterations.
@@ -95386,13 +95410,13 @@
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 != -0.9950905165813094 within 3 places (0.0005497676846479838 difference)
+AssertionError: -0.9945407488966614 != -0.9950905165812846 within 3 places (0.0005497676846231148 difference)
----------------------------------------------------------------------
-Ran 47 tests in 400.078s
+Ran 47 tests in 2836.405s
FAILED (failures=4)
-elapsed time for k point: 0.04538249969482422
+elapsed time for k point: 0.3977534770965576
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2746902258623629 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
Band 2 range: 0.4453310808471575 at Vector3<0.0, 0.5, 0.0> to 0.5605181423162836 at Vector3<0.0, 0.0, 0.0>
Band 3 range: 0.4902389149027673 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.560560794779775 at Vector3<0.0, 0.0, 0.0>
@@ -95406,15 +95430,15 @@
Gap from band 4 (0.7907195974443696) to band 5 (0.7908320763327565), 0.01422386511321756%
Gap from band 5 (0.8374511167537543) to band 6 (0.8375948528443277), 0.017162047272992302%
Gap from band 6 (0.8672009264903452) to band 7 (0.8691349955739195), 0.2227759109279908%
-total elapsed time for run: 1.3213436603546143
+total elapsed time for run: 7.189779996871948
done
-/tmp/meepFBAM2J/test_triangular_lattice-0: 1.32s
+/tmp/meepYM7cP9/test_triangular_lattice-0: 7.19s
-/tmp/meepFBAM2J/test_update_band_range_data-0
+/tmp/meepYM7cP9/test_update_band_range_data-0
========================
-/tmp/meepFBAM2J/test_update_band_range_data-0: 0.00s
+/tmp/meepYM7cP9/test_update_band_range_data-0: 0.00s
-Elapsed run time = 400.1077 s
+Elapsed run time = 2836.7451 s
FAIL tests/test_mpb.py (exit status: 1)
FAIL: tests/test_mode_decomposition
@@ -95479,7 +95503,7 @@
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/x86_64-linux-gnu'
- /bin/bash ../libtool --mode=install /usr/bin/install -c libmeep.la '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu'
+ /bin/sh ../libtool --mode=install /usr/bin/install -c libmeep.la '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-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/x86_64-linux-gnu/libmeep.so.33.0.0
libtool: install: (cd /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-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/x86_64-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; }; })
@@ -95509,7 +95533,7 @@
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'
+ /bin/sh ../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/x86_64-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'
@@ -95521,9 +95545,9 @@
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/x86_64-linux-gnu'
- /bin/bash ../libtool --mode=install /usr/bin/install -c libpympb.la '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu'
+ /bin/sh ../libtool --mode=install /usr/bin/install -c libpympb.la '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-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 x86_64-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 -fcf-protection -Wall -W -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o libpympb.la -rpath /usr/lib/x86_64-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/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath -inst-prefix-dir /build/reproducible-path/meep-1.29.0/debian/tmp)
+libtool: install: (cd /build/reproducible-path/meep-1.29.0/libpympb; /bin/sh "/build/reproducible-path/meep-1.29.0/libtool" --tag CXX --mode=relink x86_64-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 -fcf-protection -Wall -W -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o libpympb.la -rpath /usr/lib/x86_64-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/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath -inst-prefix-dir /build/reproducible-path/meep-1.29.0/debian/tmp)
libtool: relink: x86_64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crti.o /usr/lib/gcc/x86_64-linux-gnu/14/crtbeginS.o .libs/libpympb_la-pympb.o -L/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu -L/usr/lib/x86_64-linux-gnu -lmeep -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lquadmath -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/x86_64-linux-gnu/14/crtendS.o /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-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/x86_64-linux-gnu/libpympb.so.33.0.0
libtool: install: (cd /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-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; }; })
@@ -95543,9 +95567,9 @@
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'
+ /bin/sh ../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 x86_64-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 -fcf-protection -Wall -W -module -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-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/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath -inst-prefix-dir /build/reproducible-path/meep-1.29.0/debian/tmp)
+libtool: install: (cd /build/reproducible-path/meep-1.29.0/python; /bin/sh "/build/reproducible-path/meep-1.29.0/libtool" --tag CXX --mode=relink x86_64-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 -fcf-protection -Wall -W -module -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-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/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath -inst-prefix-dir /build/reproducible-path/meep-1.29.0/debian/tmp)
libtool: relink: x86_64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crti.o /usr/lib/gcc/x86_64-linux-gnu/14/crtbeginS.o .libs/_meep_la-meep-python.o -L/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu -L/usr/lib/x86_64-linux-gnu -lmeep -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lquadmath -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/x86_64-linux-gnu/14/crtendS.o /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-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; }; })
@@ -95572,9 +95596,9 @@
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'
+ /bin/sh ../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 x86_64-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 -fcf-protection -Wall -W -module -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-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/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath -inst-prefix-dir /build/reproducible-path/meep-1.29.0/debian/tmp)
+libtool: install: (cd /build/reproducible-path/meep-1.29.0/python; /bin/sh "/build/reproducible-path/meep-1.29.0/libtool" --tag CXX --mode=relink x86_64-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 -fcf-protection -Wall -W -module -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-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/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath -inst-prefix-dir /build/reproducible-path/meep-1.29.0/debian/tmp)
libtool: relink: x86_64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crti.o /usr/lib/gcc/x86_64-linux-gnu/14/crtbeginS.o .libs/_mpb_la-mpb-python.o -L/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu -L/usr/lib/x86_64-linux-gnu -lpympb -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lquadmath -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/x86_64-linux-gnu/14/crtendS.o /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-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; }; })
@@ -95640,30 +95664,30 @@
debian/rules override_dh_shlibdeps
make[1]: Entering directory '/build/reproducible-path/meep-1.29.0'
dh_shlibdeps
-dpkg-shlibdeps: warning: debian/python3-meep/usr/lib/python3/dist-packages/meep/mpb/_mpb.so.33.0.0 contains an unresolvable reference to symbol PyTuple_New: 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_GetIter: it's probably a plugin
+dpkg-shlibdeps: warning: debian/python3-meep/usr/lib/python3/dist-packages/meep/_meep.so.33.0.0 contains an unresolvable reference to symbol PyErr_Occurred: it's probably a plugin
dpkg-shlibdeps: warning: 107 other similar warnings have been skipped (use -v to see them all)
+dpkg-shlibdeps: warning: debian/python3-meep/usr/lib/python3/dist-packages/meep/mpb/_mpb.so.33.0.0 contains an unresolvable reference to symbol PyCapsule_GetPointer: it's probably a plugin
+dpkg-shlibdeps: warning: 98 other similar warnings have been skipped (use -v to see them all)
dh_numpy3
make[1]: Leaving directory '/build/reproducible-path/meep-1.29.0'
dh_installdeb
dh_gencontrol
-dpkg-gencontrol: warning: package meep: substitution variable ${python3:Depends} unused, but is defined
-dpkg-gencontrol: warning: package libmeep-dev: substitution variable ${python3:Depends} unused, but is defined
-dpkg-gencontrol: warning: package python3-meep: substitution variable ${python3:Depends} unused, but is defined
dpkg-gencontrol: warning: package libmeep33: substitution variable ${python3:Depends} unused, but is defined
dpkg-gencontrol: warning: package meep: substitution variable ${python3:Depends} unused, but is defined
dpkg-gencontrol: warning: package python3-meep: substitution variable ${python3:Depends} unused, but is defined
+dpkg-gencontrol: warning: package libmeep-dev: substitution variable ${python3:Depends} unused, but is defined
dpkg-gencontrol: warning: package libmeep33: substitution variable ${python3:Depends} unused, but is defined
+dpkg-gencontrol: warning: package python3-meep: substitution variable ${python3:Depends} unused, but is defined
+dpkg-gencontrol: warning: package meep: substitution variable ${python3:Depends} unused, but is defined
dh_md5sums
dh_builddeb
-dpkg-deb: building package 'python3-meep-dbgsym' in '../python3-meep-dbgsym_1.29.0-1_amd64.deb'.
-dpkg-deb: building package 'meep' in '../meep_1.29.0-1_amd64.deb'.
-dpkg-deb: building package 'libmeep33-dbgsym' in '../libmeep33-dbgsym_1.29.0-1_amd64.deb'.
-dpkg-deb: building package 'libmeep33' in '../libmeep33_1.29.0-1_amd64.deb'.
-dpkg-deb: building package 'python3-meep' in '../python3-meep_1.29.0-1_amd64.deb'.
dpkg-deb: building package 'meep-dbgsym' in '../meep-dbgsym_1.29.0-1_amd64.deb'.
dpkg-deb: building package 'libmeep-dev' in '../libmeep-dev_1.29.0-1_amd64.deb'.
+dpkg-deb: building package 'meep' in '../meep_1.29.0-1_amd64.deb'.
+dpkg-deb: building package 'python3-meep' in '../python3-meep_1.29.0-1_amd64.deb'.
+dpkg-deb: building package 'libmeep33' in '../libmeep33_1.29.0-1_amd64.deb'.
+dpkg-deb: building package 'libmeep33-dbgsym' in '../libmeep33-dbgsym_1.29.0-1_amd64.deb'.
+dpkg-deb: building package 'python3-meep-dbgsym' in '../python3-meep-dbgsym_1.29.0-1_amd64.deb'.
dpkg-genbuildinfo --build=binary -O../meep_1.29.0-1_amd64.buildinfo
dpkg-genchanges --build=binary -O../meep_1.29.0-1_amd64.changes
dpkg-genchanges: info: binary-only upload (no source code included)
@@ -95671,12 +95695,14 @@
dpkg-buildpackage: info: binary-only upload (no source included)
dpkg-genchanges: info: including full source code in upload
I: copying local configuration
+I: user script /srv/workspace/pbuilder/1726365/tmp/hooks/B01_cleanup starting
+I: user script /srv/workspace/pbuilder/1726365/tmp/hooks/B01_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/2341410 and its subdirectories
-I: Current time: Sun Apr 12 01:45:10 -12 2026
-I: pbuilder-time-stamp: 1776001510
+I: removing directory /srv/workspace/pbuilder/1726365 and its subdirectories
+I: Current time: Tue Mar 11 06:44:18 +14 2025
+I: pbuilder-time-stamp: 1741625058