Diff of the two buildlogs: -- --- b1/build.log 2024-12-10 16:46:09.398372603 +0000 +++ b2/build.log 2024-12-10 16:11:37.968306887 +0000 @@ -1,6 +1,6 @@ I: pbuilder: network access will be disabled during build -I: Current time: Tue Dec 10 04:11:46 -12 2024 -I: pbuilder-time-stamp: 1733847106 +I: Current time: Tue Jan 13 12:01:45 +14 2026 +I: pbuilder-time-stamp: 1768255305 I: Building the build Environment I: extracting base tarball [/var/cache/pbuilder/unstable-reproducible-base.tgz] I: copying local configuration @@ -29,52 +29,84 @@ 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/2121141/tmp/hooks/D02_print_environment starting +I: user script /srv/workspace/pbuilder/1634796/tmp/hooks/D01_modify_environment starting +debug: Running on codethink01-arm64. +I: Changing host+domainname to test build reproducibility +I: Adding a custom variable just for the fun of it... +I: Changing /bin/sh to bash +'/bin/sh' -> '/bin/bash' +lrwxrwxrwx 1 root root 9 Jan 12 22:01 /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/1634796/tmp/hooks/D01_modify_environment finished +I: user script /srv/workspace/pbuilder/1634796/tmp/hooks/D02_print_environment starting I: set - BUILDDIR='/build/reproducible-path' - BUILDUSERGECOS='first user,first room,first work-phone,first home-phone,first other' - BUILDUSERNAME='pbuilder1' - BUILD_ARCH='arm64' - DEBIAN_FRONTEND='noninteractive' + BASH=/bin/sh + BASHOPTS=checkwinsize:cmdhist:complete_fullquote:extquote:force_fignore:globasciiranges:globskipdots:hostcomplete:interactive_comments:patsub_replacement:progcomp:promptvars:sourcepath + BASH_ALIASES=() + BASH_ARGC=() + BASH_ARGV=() + BASH_CMDS=() + BASH_LINENO=([0]="12" [1]="0") + BASH_LOADABLES_PATH=/usr/local/lib/bash:/usr/lib/bash:/opt/local/lib/bash:/usr/pkg/lib/bash:/opt/pkg/lib/bash:. + BASH_SOURCE=([0]="/tmp/hooks/D02_print_environment" [1]="/tmp/hooks/D02_print_environment") + BASH_VERSINFO=([0]="5" [1]="2" [2]="37" [3]="1" [4]="release" [5]="aarch64-unknown-linux-gnu") + BASH_VERSION='5.2.37(1)-release' + BUILDDIR=/build/reproducible-path + BUILDUSERGECOS='second user,second room,second work-phone,second home-phone,second other' + BUILDUSERNAME=pbuilder2 + BUILD_ARCH=arm64 + DEBIAN_FRONTEND=noninteractive DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=12 ' - DISTRIBUTION='unstable' - HOME='/root' - HOST_ARCH='arm64' + DIRSTACK=() + DISTRIBUTION=unstable + EUID=0 + FUNCNAME=([0]="Echo" [1]="main") + GROUPS=() + HOME=/root + HOSTNAME=i-capture-the-hostname + HOSTTYPE=aarch64 + HOST_ARCH=arm64 IFS=' ' - INVOCATION_ID='dcb89a24b26a49c0b14451f3517fd569' - 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='2121141' - PS1='# ' - PS2='> ' + INVOCATION_ID=97cac350c7bb45558000a2b835f68cf5 + LANG=C + LANGUAGE=nl_BE:nl + LC_ALL=C + MACHTYPE=aarch64-unknown-linux-gnu + MAIL=/var/mail/root + OPTERR=1 + OPTIND=1 + OSTYPE=linux-gnu + PATH=/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path + PBCURRENTCOMMANDLINEOPERATION=build + PBUILDER_OPERATION=build + PBUILDER_PKGDATADIR=/usr/share/pbuilder + PBUILDER_PKGLIBDIR=/usr/lib/pbuilder + PBUILDER_SYSCONFDIR=/etc + PIPESTATUS=([0]="0") + POSIXLY_CORRECT=y + PPID=1634796 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.0TlhxzFi/pbuilderrc_MPyp --distribution unstable --hookdir /etc/pbuilder/first-build-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/unstable-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.0TlhxzFi/b1 --logfile b1/build.log meep_1.25.0-4.dsc' - SUDO_GID='109' - SUDO_UID='104' - SUDO_USER='jenkins' - TERM='unknown' - TZ='/usr/share/zoneinfo/Etc/GMT+12' - USER='root' - _='/usr/bin/systemd-run' - http_proxy='http://192.168.101.4:3128' + PWD=/ + SHELL=/bin/bash + SHELLOPTS=braceexpand:errexit:hashall:interactive-comments:posix + SHLVL=3 + SUDO_COMMAND='/usr/bin/timeout -k 24.1h 24h /usr/bin/ionice -c 3 /usr/bin/nice -n 11 /usr/bin/unshare --uts -- /usr/sbin/pbuilder --build --configfile /srv/reproducible-results/rbuild-debian/r-b-build.0TlhxzFi/pbuilderrc_MVoO --distribution unstable --hookdir /etc/pbuilder/rebuild-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/unstable-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.0TlhxzFi/b2 --logfile b2/build.log meep_1.25.0-4.dsc' + SUDO_GID=109 + SUDO_UID=104 + SUDO_USER=jenkins + TERM=unknown + TZ=/usr/share/zoneinfo/Etc/GMT-14 + UID=0 + USER=root + _='I: set' + http_proxy=http://192.168.101.4:3128 I: uname -a - Linux codethink04-arm64 6.1.0-28-cloud-arm64 #1 SMP Debian 6.1.119-1 (2024-11-22) aarch64 GNU/Linux + Linux i-capture-the-hostname 6.1.0-28-cloud-arm64 #1 SMP Debian 6.1.119-1 (2024-11-22) aarch64 GNU/Linux I: ls -l /bin - lrwxrwxrwx 1 root root 7 Nov 22 14:40 /bin -> usr/bin -I: user script /srv/workspace/pbuilder/2121141/tmp/hooks/D02_print_environment finished + lrwxrwxrwx 1 root root 7 Nov 22 2024 /bin -> usr/bin +I: user script /srv/workspace/pbuilder/1634796/tmp/hooks/D02_print_environment finished -> Attempting to satisfy build-dependencies -> Creating pbuilder-satisfydepends-dummy package Package: pbuilder-satisfydepends-dummy @@ -425,7 +457,7 @@ Get: 269 http://deb.debian.org/debian unstable/main arm64 python3-setuptools all 75.2.0-1 [731 kB] Get: 270 http://deb.debian.org/debian unstable/main arm64 quilt all 0.68-1 [437 kB] Get: 271 http://deb.debian.org/debian unstable/main arm64 swig arm64 4.2.1-1+b1 [1355 kB] -Fetched 204 MB in 1s (209 MB/s) +Fetched 204 MB in 1s (208 MB/s) debconf: delaying package configuration, since apt-utils is not installed Selecting previously unselected package libpython3.12-minimal:arm64. (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 20082 files and directories currently installed.) @@ -1306,8 +1338,8 @@ Setting up tzdata (2024b-4) ... Current default time zone: 'Etc/UTC' -Local time is now: Tue Dec 10 16:13:10 UTC 2024. -Universal Time is now: Tue Dec 10 16:13:10 UTC 2024. +Local time is now: Mon Jan 12 22:02:24 UTC 2026. +Universal Time is now: Mon Jan 12 22:02:24 UTC 2026. Run 'dpkg-reconfigure tzdata' if you wish to change it. Setting up unicode-data (15.1.0-1) ... @@ -1551,7 +1583,11 @@ Building tag database... -> Finished parsing the build-deps I: Building the package -I: Running cd /build/reproducible-path/meep-1.25.0/ && 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_1.25.0-4_source.changes +I: user script /srv/workspace/pbuilder/1634796/tmp/hooks/A99_set_merged_usr starting +Not re-configuring usrmerge for unstable +I: user script /srv/workspace/pbuilder/1634796/tmp/hooks/A99_set_merged_usr finished +hostname: Name or service not known +I: Running cd /build/reproducible-path/meep-1.25.0/ && 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_1.25.0-4_source.changes dpkg-buildpackage: info: source package meep dpkg-buildpackage: info: source version 1.25.0-4 dpkg-buildpackage: info: source distribution unstable @@ -1827,11 +1863,11 @@ Making all in src make[3]: Entering directory '/build/reproducible-path/meep-1.25.0/src' make sphere_quad -make[4]: Entering directory '/build/reproducible-path/meep-1.25.0/src' (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/') > step_generic_stride1.cpp +make[4]: Entering directory '/build/reproducible-path/meep-1.25.0/src' make[4]: warning: jobserver unavailable: using -j1. Add '+' to parent make rule. aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o sphere-quad.o sphere-quad.cpp -/bin/bash ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o sphere_quad sphere-quad.o -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm +/bin/sh ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o sphere_quad sphere-quad.o -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o sphere_quad sphere-quad.o -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm make[4]: Leaving directory '/build/reproducible-path/meep-1.25.0/src' (echo "/* This file was automatically generated --- DO NOT EDIT */"; echo; ../src/sphere_quad) > sphere-quad.h @@ -1839,43 +1875,45 @@ make[4]: Entering directory '/build/reproducible-path/meep-1.25.0/src' Making all in support make[5]: Entering directory '/build/reproducible-path/meep-1.25.0/src/support' -/bin/bash ../../libtool --tag=CC --mode=compile aarch64-linux-gnu-gcc -DHAVE_CONFIG_H -I. -I../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -c -o mt19937ar.lo mt19937ar.c +/bin/sh ../../libtool --tag=CC --mode=compile aarch64-linux-gnu-gcc -DHAVE_CONFIG_H -I. -I../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -c -o mt19937ar.lo mt19937ar.c libtool: compile: aarch64-linux-gnu-gcc -DHAVE_CONFIG_H -I. -I../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -c mt19937ar.c -fPIC -DPIC -o .libs/mt19937ar.o libtool: compile: aarch64-linux-gnu-gcc -DHAVE_CONFIG_H -I. -I../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -c mt19937ar.c -fPIC -DPIC -o mt19937ar.o >/dev/null 2>&1 -/bin/bash ../../libtool --tag=CC --mode=link aarch64-linux-gnu-gcc -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o libsupport.la mt19937ar.lo -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm +/bin/sh ../../libtool --tag=CC --mode=link aarch64-linux-gnu-gcc -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o libsupport.la mt19937ar.lo -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-linux-gnu-ar cr .libs/libsupport.a .libs/mt19937ar.o libtool: link: aarch64-linux-gnu-ranlib .libs/libsupport.a libtool: link: ( cd ".libs" && rm -f "libsupport.la" && ln -s "../libsupport.la" "libsupport.la" ) make[5]: Leaving directory '/build/reproducible-path/meep-1.25.0/src/support' make[5]: Entering directory '/build/reproducible-path/meep-1.25.0/src' -/bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o array_slice.lo array_slice.cpp -/bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o anisotropic_averaging.lo anisotropic_averaging.cpp -/bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o bands.lo bands.cpp -/bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o boundaries.lo boundaries.cpp -/bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o bicgstab.lo bicgstab.cpp -/bin/bash ../libtool --tag=CXX 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-fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o vec.lo vec.cpp +/bin/sh ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o step_generic.lo step_generic.cpp 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); @@ -2061,33 +2099,8 @@ | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 70 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ -/bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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/aarch64-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: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security 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-fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o step_generic.lo step_generic.cpp -libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c susceptibility.cpp -fPIC -DPIC -o susceptibility.o >/dev/null 2>&1 libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c step_generic.cpp -fPIC -DPIC -o .libs/step_generic.o -/bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o meepgeom.lo meepgeom.cpp +libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c vec.cpp -fPIC -DPIC -o .libs/vec.o step_generic.cpp:91: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 91 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:97: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] @@ -2132,7 +2145,6 @@ 309 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:317: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 317 | PLOOP_OVER_IVECS(gv, is, ie, i) { -libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c mpb.cpp -fPIC -DPIC -o mpb.o >/dev/null 2>&1 step_generic.cpp:327: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 327 | PLOOP_OVER_IVECS(gv, is, ie, i) { f[i] += betadt * g[i] * cndinv[i]; } step_generic.cpp:330: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] @@ -2173,9 +2185,33 @@ 576 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:583: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 583 | PLOOP_OVER_IVECS(gv, is, ie, i) { f[i] = g[i]; } -/bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o GDSIIgeom.lo GDSIIgeom.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/aarch64-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: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security 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-Werror=format-security -mbranch-protection=standard -Wall -W -c structure_dump.cpp -fPIC -DPIC -o structure_dump.o >/dev/null 2>&1 +/bin/sh ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o meepgeom.lo meepgeom.cpp +/bin/sh ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o GDSIIgeom.lo GDSIIgeom.cpp libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c meepgeom.cpp -fPIC -DPIC -o .libs/meepgeom.o -/bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o step_generic_stride1.lo step_generic_stride1.cpp +/bin/sh ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o step_generic_stride1.lo step_generic_stride1.cpp meepgeom.cpp:2959: warning: ignoring '#pragma unroll ' [-Wunknown-pragmas] 2959 | #pragma unroll libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c GDSIIgeom.cpp -fPIC -DPIC -o .libs/GDSIIgeom.o @@ -2369,9 +2405,9 @@ meepgeom.cpp:2617:1: warning: control reaches end of non-void function [-Wreturn-type] 2617 | } | ^ -libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c GDSIIgeom.cpp -fPIC -DPIC -o GDSIIgeom.o >/dev/null 2>&1 libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c vec.cpp -fPIC -DPIC -o vec.o >/dev/null 2>&1 libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c structure.cpp -fPIC -DPIC -o structure.o >/dev/null 2>&1 +libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c GDSIIgeom.cpp -fPIC -DPIC -o GDSIIgeom.o >/dev/null 2>&1 meepgeom.cpp: In function 'void meep_geom::material_grids_addgradient_point(double*, vector3, double, geom_epsilon*, meep::component, meep::component, std::complex, std::complex, 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, @@ -2384,7 +2420,7 @@ libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c step_generic.cpp -fPIC -DPIC -o step_generic.o >/dev/null 2>&1 libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c meepgeom.cpp -fPIC -DPIC -o meepgeom.o >/dev/null 2>&1 libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c step_generic_stride1.cpp -fPIC -DPIC -o step_generic_stride1.o >/dev/null 2>&1 -/bin/bash ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -version-info 30:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o libmeep.la -rpath /usr/lib/aarch64-linux-gnu array_slice.lo anisotropic_averaging.lo bands.lo boundaries.lo bicgstab.lo casimir.lo cw_fields.lo dft.lo dft_ldos.lo energy_and_flux.lo fields.lo fields_dump.lo fix_boundary_sources.lo loop_in_chunks.lo h5fields.lo h5file.lo initialize.lo integrate.lo integrate2.lo material_data.lo monitor.lo mympi.lo multilevel-atom.lo near2far.lo output_directory.lo random.lo sources.lo step.lo step_db.lo stress.lo structure.lo structure_dump.lo susceptibility.lo time.lo update_eh.lo mpb.lo update_pols.lo vec.lo step_generic.lo meepgeom.lo GDSIIgeom.lo step_generic_stride1.lo support/libsupport.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm +/bin/sh ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -version-info 30:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o libmeep.la -rpath /usr/lib/aarch64-linux-gnu array_slice.lo anisotropic_averaging.lo bands.lo boundaries.lo bicgstab.lo casimir.lo cw_fields.lo dft.lo dft_ldos.lo energy_and_flux.lo fields.lo fields_dump.lo fix_boundary_sources.lo loop_in_chunks.lo h5fields.lo h5file.lo initialize.lo integrate.lo integrate2.lo material_data.lo monitor.lo mympi.lo multilevel-atom.lo near2far.lo output_directory.lo random.lo sources.lo step.lo step_db.lo stress.lo structure.lo structure_dump.lo susceptibility.lo time.lo update_eh.lo mpb.lo update_pols.lo vec.lo step_generic.lo meepgeom.lo GDSIIgeom.lo step_generic_stride1.lo support/libsupport.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crti.o /usr/lib/gcc/aarch64-linux-gnu/14/crtbeginS.o .libs/array_slice.o .libs/anisotropic_averaging.o .libs/bands.o .libs/boundaries.o .libs/bicgstab.o .libs/casimir.o .libs/cw_fields.o .libs/dft.o .libs/dft_ldos.o .libs/energy_and_flux.o .libs/fields.o .libs/fields_dump.o .libs/fix_boundary_sources.o .libs/loop_in_chunks.o .libs/h5fields.o .libs/h5file.o .libs/initialize.o .libs/integrate.o .libs/integrate2.o .libs/material_data.o .libs/monitor.o .libs/mympi.o .libs/multilevel-atom.o .libs/near2far.o .libs/output_directory.o .libs/random.o .libs/sources.o .libs/step.o .libs/step_db.o .libs/stress.o .libs/structure.o .libs/structure_dump.o .libs/susceptibility.o .libs/time.o .libs/update_eh.o .libs/mpb.o .libs/update_pols.o .libs/vec.o .libs/step_generic.o .libs/meepgeom.o .libs/GDSIIgeom.o .libs/step_generic_stride1.o -Wl,--whole-archive support/.libs/libsupport.a -Wl,--no-whole-archive -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -lfftw3 -lgfortran -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/aarch64-linux-gnu/14/crtendS.o /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crtn.o -g -O2 -fstack-protector-strong -mbranch-protection=standard -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -Wl,-soname -Wl,libmeep.so.30 -o .libs/libmeep.so.30.0.0 libtool: link: (cd ".libs" && rm -f "libmeep.so.30" && ln -s "libmeep.so.30.0.0" "libmeep.so.30") libtool: link: (cd ".libs" && rm -f "libmeep.so" && ln -s "libmeep.so.30.0.0" "libmeep.so") @@ -2473,6 +2509,24 @@ geom.cpp:2357:11: warning: variable 'axisp' set but not used [-Wunused-but-set-variable] 2357 | vector3 axisp = vector3_scale(height, zhatp); | ^~~~~ +In function 'bool get_front_object(const meep::volume&, geom_box_tree, vector3&, const ctlio::geometric_object**, vector3&, ctlio::material_type&, ctlio::material_type&)', + inlined from 'virtual void geom_epsilon::eff_chi1inv_row(meep::component, double*, const meep::volume&, double, int)' at structure.cpp:618:40: +structure.cpp:581:10: warning: 'mat1' may be used uninitialized [-Wmaybe-uninitialized] + 581 | mat2 = mat1; + | ~~~~~^~~~~~ +structure.cpp: In member function 'virtual void geom_epsilon::eff_chi1inv_row(meep::component, double*, const meep::volume&, double, int)': +structure.cpp:509:17: note: 'mat1' declared here + 509 | material_type mat1, mat2; + | ^~~~ +In function 'bool get_front_object(const meep::volume&, geom_box_tree, vector3&, const ctlio::geometric_object**, vector3&, ctlio::material_type&, ctlio::material_type&)', + inlined from 'virtual void geom_epsilon::eff_chi1inv_row(meep::component, double*, const meep::volume&, double, int)' at structure.cpp:618:40: +structure.cpp:595:15: warning: 'mat1' may be used uninitialized [-Wmaybe-uninitialized] + 595 | mat_front = mat1; + | ~~~~~~~~~~^~~~~~ +structure.cpp: In member function 'virtual void geom_epsilon::eff_chi1inv_row(meep::component, double*, const meep::volume&, double, int)': +structure.cpp:509:17: note: 'mat1' declared here + 509 | material_type mat1, mat2; + | ^~~~ meep_wrap.cxx: In function 'scm_unused_struct* _wrap_new_meep_dft_flux__SWIG_0(int, scm_unused_struct**)': meep_wrap.cxx:36013:12: warning: type qualifiers ignored on cast result type [-Wignored-qualifiers] 36013 | arg1 = (meep::component const) scm_to_int(argv[0]); @@ -2494,31 +2548,13 @@ meep_wrap.cxx:36145:12: warning: type qualifiers ignored on cast result type [-Wignored-qualifiers] 36145 | arg2 = (meep::component const) scm_to_int(argv[1]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -In function 'bool get_front_object(const meep::volume&, geom_box_tree, vector3&, const ctlio::geometric_object**, vector3&, ctlio::material_type&, ctlio::material_type&)', - inlined from 'virtual void geom_epsilon::eff_chi1inv_row(meep::component, double*, const meep::volume&, double, int)' at structure.cpp:618:40: -structure.cpp:581:10: warning: 'mat1' may be used uninitialized [-Wmaybe-uninitialized] - 581 | mat2 = mat1; - | ~~~~~^~~~~~ -structure.cpp: In member function 'virtual void geom_epsilon::eff_chi1inv_row(meep::component, double*, const meep::volume&, double, int)': -structure.cpp:509:17: note: 'mat1' declared here - 509 | material_type mat1, mat2; - | ^~~~ -In function 'bool get_front_object(const meep::volume&, geom_box_tree, vector3&, const ctlio::geometric_object**, vector3&, ctlio::material_type&, ctlio::material_type&)', - inlined from 'virtual void geom_epsilon::eff_chi1inv_row(meep::component, double*, const meep::volume&, double, int)' at structure.cpp:618:40: -structure.cpp:595:15: warning: 'mat1' may be used uninitialized [-Wmaybe-uninitialized] - 595 | mat_front = mat1; - | ~~~~~~~~~~^~~~~~ -structure.cpp: In member function 'virtual void geom_epsilon::eff_chi1inv_row(meep::component, double*, const meep::volume&, double, int)': -structure.cpp:509:17: note: 'mat1' declared here - 509 | material_type mat1, mat2; - | ^~~~ -/bin/bash ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o meep meep-meep.o meep-structure.o meep-meep_wrap.o meep-main.o meep-geom.o meep-ctl-io.o ../src/libmeep.la -lctl -lguile-3.0 -lgc -lpthread -ldl -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm +/bin/sh ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o meep meep-meep.o meep-structure.o meep-meep_wrap.o meep-main.o meep-geom.o meep-ctl-io.o ../src/libmeep.la -lctl -lguile-3.0 -lgc -lpthread -ldl -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o .libs/meep meep-meep.o meep-structure.o meep-meep_wrap.o meep-main.o meep-geom.o meep-ctl-io.o ../src/.libs/libmeep.so -lctl -lguile-3.0 -lgc -lpthread -ldl -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm make[4]: Leaving directory '/build/reproducible-path/meep-1.25.0/scheme' make[3]: Leaving directory '/build/reproducible-path/meep-1.25.0/scheme' Making all in libpympb make[3]: Entering directory '/build/reproducible-path/meep-1.25.0/libpympb' -/bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -Wfatal-errors -I../src -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o libpympb_la-pympb.lo `test -f 'pympb.cpp' || echo './'`pympb.cpp +/bin/sh ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -Wfatal-errors -I../src -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o libpympb_la-pympb.lo `test -f 'pympb.cpp' || echo './'`pympb.cpp libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -Wfatal-errors -I../src -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c pympb.cpp -fPIC -DPIC -o .libs/libpympb_la-pympb.o pympb.cpp:30:1: warning: multi-line comment [-Wcomment] 30 | // #define LOOP_XYZ(md) \ @@ -2543,7 +2579,7 @@ 2012 | mpi_allreduce(sq_sum2, sq_sum, 2, mpb_real, SCALAR_MPI_TYPE, MPI_SUM, mpb_comm); | ^~~~~~~~~~~~~ libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -Wfatal-errors -I../src -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c pympb.cpp -fPIC -DPIC -o libpympb_la-pympb.o >/dev/null 2>&1 -/bin/bash ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -version-info 30:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o libpympb.la -rpath /usr/lib/aarch64-linux-gnu libpympb_la-pympb.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm +/bin/sh ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -version-info 30:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o libpympb.la -rpath /usr/lib/aarch64-linux-gnu libpympb_la-pympb.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crti.o /usr/lib/gcc/aarch64-linux-gnu/14/crtbeginS.o .libs/libpympb_la-pympb.o -Wl,-rpath -Wl,/build/reproducible-path/meep-1.25.0/src/.libs ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/aarch64-linux-gnu/14/crtendS.o /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crtn.o -g -O2 -fstack-protector-strong -mbranch-protection=standard -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -Wl,-soname -Wl,libpympb.so.30 -o .libs/libpympb.so.30.0.0 libtool: link: (cd ".libs" && rm -f "libpympb.so.30" && ln -s "libpympb.so.30.0.0" "libpympb.so.30") libtool: link: (cd ".libs" && rm -f "libpympb.so" && ln -s "libpympb.so.30.0.0" "libpympb.so") @@ -2569,8 +2605,8 @@ fi make all-am make[4]: Entering directory '/build/reproducible-path/meep-1.25.0/python' -/bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/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-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o _meep_la-meep-python.lo `test -f 'meep-python.cxx' || echo './'`meep-python.cxx -/bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/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-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o _mpb_la-mpb-python.lo `test -f 'mpb-python.cxx' || echo './'`mpb-python.cxx +/bin/sh ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/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-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o _meep_la-meep-python.lo `test -f 'meep-python.cxx' || echo './'`meep-python.cxx +/bin/sh ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/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-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o _mpb_la-mpb-python.lo `test -f 'mpb-python.cxx' || echo './'`mpb-python.cxx libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/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-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c meep-python.cxx -fPIC -DPIC -o .libs/_meep_la-meep-python.o libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/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-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c mpb-python.cxx -fPIC -DPIC -o .libs/_mpb_la-mpb-python.o In file included from mpb-python.cxx:3362: @@ -2646,7 +2682,7 @@ typemap_utils.cpp:115:18: warning: 'PyObject* py_volume_object()' defined but not used [-Wunused-function] 115 | static PyObject *py_volume_object() { | ^~~~~~~~~~~~~~~~ -/bin/bash ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -module -version-info 30:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o _mpb.la -rpath /usr/lib/python3.12/site-packages/meep/mpb _mpb_la-mpb-python.lo ../libpympb/libpympb.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm +/bin/sh ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -module -version-info 30:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o _mpb.la -rpath /usr/lib/python3.12/site-packages/meep/mpb _mpb_la-mpb-python.lo ../libpympb/libpympb.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crti.o /usr/lib/gcc/aarch64-linux-gnu/14/crtbeginS.o .libs/_mpb_la-mpb-python.o -Wl,-rpath -Wl,/build/reproducible-path/meep-1.25.0/libpympb/.libs ../libpympb/.libs/libpympb.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/aarch64-linux-gnu/14/crtendS.o /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crtn.o -g -O2 -fstack-protector-strong -mbranch-protection=standard -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -Wl,-soname -Wl,_mpb.so.30 -o .libs/_mpb.so.30.0.0 libtool: link: (cd ".libs" && rm -f "_mpb.so.30" && ln -s "_mpb.so.30.0.0" "_mpb.so.30") libtool: link: (cd ".libs" && rm -f "_mpb.so" && ln -s "_mpb.so.30.0.0" "_mpb.so") @@ -2654,7 +2690,7 @@ libtool: link: aarch64-linux-gnu-ranlib .libs/_mpb.a libtool: link: ( cd ".libs" && rm -f "_mpb.la" && ln -s "../_mpb.la" "_mpb.la" ) libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/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-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c meep-python.cxx -fPIC -DPIC -o _meep_la-meep-python.o >/dev/null 2>&1 -/bin/bash ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -module -version-info 30:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o _meep.la -rpath /usr/lib/python3.12/site-packages/meep _meep_la-meep-python.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm +/bin/sh ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -module -version-info 30:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o _meep.la -rpath /usr/lib/python3.12/site-packages/meep _meep_la-meep-python.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crti.o /usr/lib/gcc/aarch64-linux-gnu/14/crtbeginS.o .libs/_meep_la-meep-python.o -Wl,-rpath -Wl,/build/reproducible-path/meep-1.25.0/src/.libs ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/aarch64-linux-gnu/14/crtendS.o /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crtn.o -g -O2 -fstack-protector-strong -mbranch-protection=standard -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -Wl,-soname -Wl,_meep.so.30 -o .libs/_meep.so.30.0.0 libtool: link: (cd ".libs" && rm -f "_meep.so.30" && ln -s "_meep.so.30.0.0" "_meep.so.30") libtool: link: (cd ".libs" && rm -f "_meep.so" && ln -s "_meep.so.30.0.0" "_meep.so") @@ -2709,94 +2745,94 @@ 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-1.25.0/tests' aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -DDATADIR=\"./\" -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o aniso_disp.o aniso_disp.cpp -/bin/bash ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o aniso_disp aniso_disp.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm +/bin/sh ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o aniso_disp aniso_disp.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o .libs/aniso_disp aniso_disp.o ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -DDATADIR=\"./\" -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o bench.o bench.cpp -/bin/bash ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o bench bench.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm 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aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o .libs/array-metadata array-metadata.o ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm make[4]: Leaving directory '/build/reproducible-path/meep-1.25.0/tests' make check-TESTS @@ -3215,87 +3251,87 @@ ./src/step_generic_stride1.lo ./src/step_generic_stride1.o ./src/meepgeom.lo -./src/meepgeom.o ./src/step_generic.lo -./src/structure.lo ./src/step_generic.o +./src/meepgeom.o +./src/structure.lo ./src/structure.o ./src/vec.lo ./src/vec.o ./src/GDSIIgeom.lo ./src/GDSIIgeom.o +./src/structure_dump.lo ./src/susceptibility.lo +./src/structure_dump.o ./src/susceptibility.o ./src/mpb.lo ./src/mpb.o -./src/structure_dump.lo -./src/structure_dump.o ./src/time.lo ./src/time.o ./src/update_eh.lo ./src/update_eh.o -./src/step_db.lo -./src/step_db.o -./src/sources.lo -./src/sources.o ./src/update_pols.lo ./src/update_pols.o +./src/step_db.lo ./src/near2far.lo +./src/step_db.o ./src/near2far.o -./src/step.lo -./src/step.o +./src/sources.lo +./src/sources.o ./src/stress.lo +./src/step.lo ./src/stress.o -./src/multilevel-atom.lo -./src/multilevel-atom.o -./src/output_directory.lo -./src/output_directory.o +./src/step.o ./src/random.lo ./src/random.o +./src/output_directory.lo +./src/output_directory.o ./src/monitor.lo ./src/monitor.o ./src/boundaries.lo +./src/boundaries.o +./src/multilevel-atom.lo +./src/multilevel-atom.o ./src/mympi.lo ./src/mympi.o -./src/boundaries.o ./src/integrate2.lo -./src/material_data.lo ./src/integrate2.o -./src/material_data.o ./src/anisotropic_averaging.lo -./src/dft.lo ./src/anisotropic_averaging.o -./src/dft.o +./src/integrate.lo +./src/material_data.lo +./src/dft.lo +./src/integrate.o +./src/material_data.o ./src/initialize.lo +./src/dft.o ./src/initialize.o ./src/loop_in_chunks.lo -./src/integrate.lo ./src/loop_in_chunks.o -./src/integrate.o +./src/h5file.lo +./src/h5file.o ./src/h5fields.lo ./src/h5fields.o ./src/fix_boundary_sources.lo ./src/fix_boundary_sources.o -./src/h5file.lo -./src/h5file.o ./src/array_slice.lo -./src/fields.lo ./src/array_slice.o +./src/fields.lo ./src/fields.o +./src/fields_dump.lo +./src/fields_dump.o ./src/cw_fields.lo ./src/cw_fields.o ./src/casimir.lo -./src/fields_dump.lo ./src/casimir.o -./src/fields_dump.o -./src/dft_ldos.lo ./src/energy_and_flux.lo -./src/dft_ldos.o ./src/energy_and_flux.o -./src/bicgstab.lo -./src/bicgstab.o +./src/dft_ldos.lo +./src/dft_ldos.o ./src/bands.lo +./src/bicgstab.lo ./src/bands.o +./src/bicgstab.o ./src/sphere-quad.h ./src/sphere_quad ./src/.libs @@ -3308,43 +3344,43 @@ ./src/.libs/step_generic_stride1.o ./src/.libs/meepgeom.o ./src/.libs/step_generic.o +./src/.libs/GDSIIgeom.o ./src/.libs/structure.o ./src/.libs/vec.o -./src/.libs/GDSIIgeom.o +./src/.libs/structure_dump.o ./src/.libs/mpb.o -./src/.libs/susceptibility.o -./src/.libs/update_eh.o ./src/.libs/time.o -./src/.libs/structure_dump.o +./src/.libs/update_eh.o +./src/.libs/susceptibility.o ./src/.libs/update_pols.o ./src/.libs/step_db.o ./src/.libs/sources.o -./src/.libs/step.o ./src/.libs/stress.o +./src/.libs/step.o ./src/.libs/near2far.o -./src/.libs/output_directory.o ./src/.libs/random.o +./src/.libs/output_directory.o ./src/.libs/multilevel-atom.o -./src/.libs/mympi.o ./src/.libs/monitor.o -./src/.libs/material_data.o +./src/.libs/mympi.o ./src/.libs/integrate2.o -./src/.libs/initialize.o +./src/.libs/material_data.o ./src/.libs/integrate.o -./src/.libs/loop_in_chunks.o -./src/.libs/h5fields.o +./src/.libs/initialize.o ./src/.libs/h5file.o +./src/.libs/loop_in_chunks.o ./src/.libs/boundaries.o ./src/.libs/fix_boundary_sources.o ./src/.libs/anisotropic_averaging.o +./src/.libs/h5fields.o ./src/.libs/dft.o -./src/.libs/fields.o ./src/.libs/array_slice.o -./src/.libs/cw_fields.o ./src/.libs/fields_dump.o +./src/.libs/fields.o +./src/.libs/cw_fields.o +./src/.libs/energy_and_flux.o ./src/.libs/casimir.o ./src/.libs/dft_ldos.o -./src/.libs/energy_and_flux.o ./src/.libs/bicgstab.o ./src/.libs/bands.o ./src/sphere-quad.o @@ -3435,11 +3471,11 @@ ./scheme/geom.cpp ./scheme/main.cpp ./scheme/meep-enums.scm +./scheme/ctl-io.h ./scheme/meep_swig_bug_workaround.i ./scheme/meep_enum_renames.i ./scheme/meep_renames.i ./scheme/ctl-io.i -./scheme/ctl-io.h ./scheme/meep.scm ./scheme/Makefile ./scheme/Makefile.in @@ -4320,7 +4356,7 @@ FAIL: tests/test_adjoint_solver =============================== -Matplotlib created a temporary cache directory at /tmp/matplotlib-e6ly84zd 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-wc17gv_p 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-1.25.0/python/./tests/test_adjoint_solver.py", line 4, in import meep.adjoint as mpa @@ -4341,13 +4377,13 @@ from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' -Elapsed run time = 0.3744 s +Elapsed run time = 0.3672 s FAIL tests/test_adjoint_solver.py (exit status: 1) FAIL: tests/test_adjoint_utils ============================== -Matplotlib created a temporary cache directory at /tmp/matplotlib-shy1zr4e 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-m5yt6n49 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-1.25.0/python/./tests/test_adjoint_utils.py", line 11, in import meep.adjoint as mpa @@ -4368,13 +4404,13 @@ from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' -Elapsed run time = 0.3235 s +Elapsed run time = 0.3055 s FAIL tests/test_adjoint_utils.py (exit status: 1) FAIL: tests/test_adjoint_cyl ============================ -Matplotlib created a temporary cache directory at /tmp/matplotlib-z_pswf1s 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-xt5yr_ly 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-1.25.0/python/./tests/test_adjoint_cyl.py", line 4, in import meep.adjoint as mpa @@ -4395,7 +4431,7 @@ from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' -Elapsed run time = 0.3193 s +Elapsed run time = 0.3885 s FAIL tests/test_adjoint_cyl.py (exit status: 1) FAIL: tests/test_adjoint_jax @@ -4410,7 +4446,7 @@ FAIL: tests/test_binary_partition_utils ======================================= -Matplotlib created a temporary cache directory at /tmp/matplotlib-sg1e45g2 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-3msimspn 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-1.25.0/python/./tests/test_binary_partition_utils.py", line 6, in import parameterized @@ -4431,7 +4467,7 @@ FAIL: tests/test_chunk_balancer =============================== -Matplotlib created a temporary cache directory at /tmp/matplotlib-frhu0eso 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-elehcuzc 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-1.25.0/python/./tests/test_chunk_balancer.py", line 5, in import parameterized @@ -4443,7 +4479,7 @@ FAIL: tests/test_get_epsilon_grid ================================= -Matplotlib created a temporary cache directory at /tmp/matplotlib-6xk0i3zs 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-tqmrv0go 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-1.25.0/python/./tests/test_get_epsilon_grid.py", line 3, in import meep.adjoint as mpa @@ -4453,13 +4489,13 @@ from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' -Elapsed run time = 0.3039 s +Elapsed run time = 0.3209 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-dmz3kked 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-amhoom82 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-1.25.0/python/./tests/test_material_grid.py", line 4, in import meep.adjoint as mpa @@ -4480,15 +4516,15 @@ from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' -Elapsed run time = 0.3038 s +Elapsed run time = 0.3237 s FAIL tests/test_material_grid.py (exit status: 1) FAIL: tests/test_mpb ==================== -Matplotlib created a temporary cache directory at /tmp/matplotlib-nyw5v1uj 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-j6ym1c_3 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/meepZVgGID/test_anisotropic_2d_gap-0 +/tmp/meepWDyqgO/test_anisotropic_2d_gap-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -4531,7 +4567,7 @@ 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: 0.0015251636505126953 +elapsed time for initialization: 0.0014908313751220703 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... @@ -4642,7 +4678,7 @@ iteration 52: trace = 0.8320200571439178 (6.46369e-11% change) Finished solving for bands 3 to 8 after 52 iterations. freqs:, 1, 0, 0, 0, 0, 0, 0, 0.318992, 0.365115, 0.370143, 0.370147, 0.401833, 0.401833 -elapsed time for k point: 0.1147921085357666 +elapsed time for k point: 0.11935162544250488 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -4737,7 +4773,7 @@ iteration 45: trace = 0.8305318838345979 (5.16792e-11% change) Finished solving for bands 1 to 8 after 45 iterations. freqs:, 2, 0.1, 0, 0, 0.1, 0.0367937, 0.049071, 0.308902, 0.358341, 0.370542, 0.38729, 0.392077, 0.402396 -elapsed time for k point: 0.15082955360412598 +elapsed time for k point: 0.15352821350097656 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. @@ -4830,7 +4866,7 @@ iteration 44: trace = 0.8299239457452547 (6.26865e-11% change) Finished solving for bands 1 to 8 after 44 iterations. freqs:, 3, 0.2, 0, 0, 0.2, 0.0730357, 0.0965491, 0.285819, 0.360073, 0.368932, 0.371597, 0.403894, 0.408164 -elapsed time for k point: 0.14643096923828125 +elapsed time for k point: 0.15095853805541992 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 10 iterations. @@ -4931,7 +4967,7 @@ iteration 48: trace = 0.828280840667425 (4.62034e-11% change) Finished solving for bands 1 to 8 after 48 iterations. freqs:, 4, 0.3, 0, 0, 0.3, 0.107851, 0.140336, 0.25846, 0.340653, 0.367325, 0.372946, 0.405794, 0.418837 -elapsed time for k point: 0.1604461669921875 +elapsed time for k point: 0.16357421875 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -5014,7 +5050,7 @@ iteration 39: trace = 0.8195746262296728 (5.82628e-11% change) Finished solving for bands 1 to 8 after 39 iterations. freqs:, 5, 0.4, 0, 0, 0.4, 0.1388, 0.176103, 0.23164, 0.313843, 0.374076, 0.377706, 0.407374, 0.410603 -elapsed time for k point: 0.13117408752441406 +elapsed time for k point: 0.1340007781982422 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -5091,7 +5127,7 @@ iteration 36: trace = 0.8152593107299846 (8.54532e-11% change) Finished solving for bands 1 to 8 after 36 iterations. freqs:, 6, 0.5, 0, 0, 0.5, 0.154816, 0.192048, 0.216968, 0.300856, 0.374518, 0.385777, 0.401594, 0.407988 -elapsed time for k point: 0.12051677703857422 +elapsed time for k point: 0.12355637550354004 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -5172,7 +5208,7 @@ iteration 38: trace = 0.8101088212743903 (5.41332e-11% change) Finished solving for bands 1 to 8 after 38 iterations. freqs:, 7, 0.5, 0.1, 0, 0.509902, 0.15975, 0.195136, 0.218441, 0.305033, 0.358789, 0.391555, 0.402172, 0.402445 -elapsed time for k point: 0.1275334358215332 +elapsed time for k point: 0.1307826042175293 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -5251,7 +5287,7 @@ iteration 37: trace = 0.8027830712683004 (5.80017e-11% change) Finished solving for bands 1 to 8 after 37 iterations. freqs:, 8, 0.5, 0.2, 0, 0.538516, 0.173344, 0.203625, 0.222584, 0.316302, 0.340088, 0.36862, 0.387671, 0.424089 -elapsed time for k point: 0.12372946739196777 +elapsed time for k point: 0.12772178649902344 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -5332,7 +5368,7 @@ iteration 38: trace = 0.8027156837865843 (5.44382e-11% change) Finished solving for bands 1 to 8 after 38 iterations. freqs:, 9, 0.5, 0.3, 0, 0.583095, 0.192437, 0.215224, 0.228468, 0.323728, 0.33113, 0.341965, 0.37019, 0.4458 -elapsed time for k point: 0.12684226036071777 +elapsed time for k point: 0.12990784645080566 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -5421,7 +5457,7 @@ iteration 42: trace = 0.811128394246043 (9.45662e-11% change) Finished solving for bands 1 to 8 after 42 iterations. freqs:, 10, 0.5, 0.4, 0, 0.640312, 0.21184, 0.226, 0.234179, 0.311757, 0.318108, 0.344193, 0.3555, 0.465942 -elapsed time for k point: 0.14023971557617188 +elapsed time for k point: 0.14415860176086426 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -5533,7 +5569,7 @@ iteration 53: trace = 0.8190722270474002 (9.58313e-11% change) Finished solving for bands 1 to 8 after 53 iterations. freqs:, 11, 0.5, 0.5, 0, 0.707107, 0.221357, 0.230619, 0.236708, 0.307149, 0.30715, 0.349538, 0.349539, 0.477307 -elapsed time for k point: 0.17666411399841309 +elapsed time for k point: 0.18122506141662598 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -5627,7 +5663,7 @@ iteration 44: trace = 0.8090111116370096 (7.55188e-11% change) Finished solving for bands 1 to 8 after 44 iterations. freqs:, 12, 0.4, 0.4, 0, 0.565685, 0.19918, 0.2202, 0.239097, 0.309959, 0.330944, 0.347653, 0.354078, 0.460272 -elapsed time for k point: 0.14773201942443848 +elapsed time for k point: 0.15111541748046875 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -5700,7 +5736,7 @@ iteration 34: trace = 0.8101014661646312 (5.19273e-11% change) Finished solving for bands 1 to 8 after 34 iterations. freqs:, 13, 0.3, 0.3, 0, 0.424264, 0.153826, 0.186625, 0.253882, 0.318156, 0.351842, 0.366269, 0.371004, 0.436281 -elapsed time for k point: 0.11423492431640625 +elapsed time for k point: 0.11712145805358887 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. @@ -5787,7 +5823,7 @@ iteration 41: trace = 0.8249014819373073 (9.03358e-11% change) Finished solving for bands 1 to 8 after 41 iterations. freqs:, 14, 0.2, 0.2, 0, 0.282843, 0.103673, 0.133382, 0.276682, 0.331086, 0.368234, 0.382194, 0.398022, 0.412434 -elapsed time for k point: 0.1370236873626709 +elapsed time for k point: 0.14075446128845215 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. @@ -5868,7 +5904,7 @@ iteration 38: trace = 0.8293598597555056 (6.98776e-11% change) Finished solving for bands 1 to 8 after 38 iterations. freqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0520822, 0.0690311, 0.302853, 0.347811, 0.385316, 0.389474, 0.390006, 0.396139 -elapsed time for k point: 0.1280679702758789 +elapsed time for k point: 0.1299886703491211 solve_kpoint (0,0,0): Solving for bands 3 to 8... linmin: converged after 4 iterations. @@ -5953,7 +5989,7 @@ iteration 40: trace = 0.8320200571443123 (8.06627e-11% change) Finished solving for bands 3 to 8 after 40 iterations. freqs:, 16, 0, 0, 0, 0, 0, 0, 0.318992, 0.365115, 0.370143, 0.370147, 0.401833, 0.401833 -..elapsed time for k point: 0.08815932273864746 +..elapsed time for k point: 0.09189486503601074 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.22135702280024688 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.23061915826414672 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.21696776954474586 at Vector3<0.5, 0.0, 0.0> to 0.31899247656855384 at Vector3<0.0, 0.0, 0.0> @@ -5962,15 +5998,15 @@ Band 6 range: 0.34196472550762014 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.3915546844259549 at Vector3<0.5, 0.1, 0.0> Band 7 range: 0.34953853766123844 at Vector3<0.5, 0.5, 0.0> to 0.4073736001230428 at Vector3<0.4, 0.0, 0.0> Band 8 range: 0.39613882331011085 at Vector3<0.09999999999999998, 0.09999999999999998, 0.0> to 0.477306572259159 at Vector3<0.5, 0.5, 0.0> -total elapsed time for run: 2.1370692253112793 +total elapsed time for run: 2.1922976970672607 done -/tmp/meepZVgGID/test_anisotropic_2d_gap-0: 2.14s +/tmp/meepWDyqgO/test_anisotropic_2d_gap-0: 2.19s -/tmp/meepZVgGID/test_attribute_accessors-0 +/tmp/meepWDyqgO/test_attribute_accessors-0 ======================== -/tmp/meepZVgGID/test_attribute_accessors-0: 0.00s +/tmp/meepWDyqgO/test_attribute_accessors-0: 0.00s -/tmp/meepZVgGID/test_bragg-0 +/tmp/meepWDyqgO/test_bragg-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -5998,7 +6034,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.0, 0.0> -elapsed time for initialization: 0.00018167495727539062 +elapsed time for initialization: 0.00021910667419433594 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... @@ -6022,21 +6058,21 @@ linmin: converged after 4 iterations. iteration 9: trace = 18.62908777894175 (3.7883e-06% change) linmin: converged after 16 iterations. - switching to approximate line minimization (decrease time by 65.0888%) + switching to approximate line minimization (decrease time by 61.7834%) iteration 10: trace = 18.6290877002945 (4.22174e-07% change) iteration 11: trace = 18.62908769515245 (2.76022e-08% change) iteration 12: trace = 18.6290876948879 (1.42013e-09% change) iteration 13: trace = 18.62908769487537 (6.72627e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 1, 0.5, 0, 0, 0.5, 0.222451, 0.443471, 0.892368, 1.10456, 1.56579, 1.75949, 2.24248, 2.40631 -elapsed time for k point: 0.0018467903137207031 -total elapsed time for run: 0.0020935535430908203 +elapsed time for k point: 0.001817941665649414 +total elapsed time for run: 0.002105712890625 done Fixing h-field (band 8) phase by 0.909537 + -0.415623i; max ampl. = 1.96664 -.Outputting fields to /tmp/meepZVgGID/test_bragg-0-h.k01.b08.y.tm.h5... -/tmp/meepZVgGID/test_bragg-0: 0.01s +.Outputting fields to /tmp/meepWDyqgO/test_bragg-0-h.k01.b08.y.tm.h5... +/tmp/meepWDyqgO/test_bragg-0: 0.01s -/tmp/meepZVgGID/test_bragg_sine-0 +/tmp/meepWDyqgO/test_bragg_sine-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -6072,7 +6108,7 @@ 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: 0.003195524215698242 +elapsed time for initialization: 0.003275156021118164 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... @@ -6102,254 +6138,242 @@ linmin: converged after 7 iterations. iteration 11: trace = 11.07168890779527 (0.00106853% change) linmin: converged after 6 iterations. + switching to approximate line minimization (decrease time by 53.6364%) iteration 12: trace = 11.07167968197878 (8.3328e-05% change) - linmin: converged after 4 iterations. - iteration 13: trace = 11.07167908240041 (5.41542e-06% change) - linmin: converged after 10 iterations. - switching to approximate line minimization (decrease time by 51.9231%) - iteration 14: trace = 11.07167889420393 (1.6998e-06% change) - iteration 15: trace = 11.0716779976237 (8.09796e-06% change) - iteration 16: trace = 11.07167518719081 (2.5384e-05% change) - iteration 17: trace = 11.07167456093305 (5.6564e-06% change) - iteration 18: trace = 11.07167451845902 (3.83628e-07% change) - iteration 19: trace = 11.0716745146709 (3.42145e-08% change) - iteration 20: trace = 11.07167451443016 (2.17438e-09% change) - iteration 21: trace = 11.0716745143937 (3.29274e-10% change) - iteration 22: trace = 11.07167451429858 (8.59181e-10% change) - iteration 23: trace = 11.07167451395079 (3.14127e-09% change) - iteration 24: trace = 11.07167451360991 (3.07881e-09% change) - iteration 25: trace = 11.07167451351465 (8.60384e-10% change) - iteration 26: trace = 11.07167451350871 (5.36837e-11% change) + iteration 13: trace = 11.07167908240065 (5.41542e-06% change) + iteration 14: trace = 11.07167889418665 (1.69996e-06% change) + iteration 15: trace = 11.0716779976923 (8.09719e-06% change) + iteration 16: trace = 11.07167518730841 (2.53835e-05% change) + iteration 17: trace = 11.07167456091496 (5.65762e-06% change) + iteration 18: trace = 11.07167451845394 (3.8351e-07% change) + iteration 19: trace = 11.07167451466155 (3.42531e-08% change) + iteration 20: trace = 11.07167451442296 (2.155e-09% change) + iteration 21: trace = 11.07167451438623 (3.31697e-10% change) + iteration 22: trace = 11.07167451428448 (9.19041e-10% change) + iteration 23: trace = 11.07167451381645 (4.22725e-09% change) + iteration 24: trace = 11.07167451354299 (2.46989e-09% change) + iteration 25: trace = 11.07167451351339 (2.67408e-10% change) + iteration 26: trace = 11.07167451350691 (5.8513e-11% change) Finished solving for bands 2 to 8 after 26 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.468775, 0.546626, 0.989349, 1.02405, 1.49704, 1.51158, 1.99991 -elapsed time for k point: 0.002473592758178711 +elapsed time for k point: 0.0024292469024658203 solve_kpoint (0.05,0,0): Solving for bands 1 to 8... linmin: converged after 9 iterations. - iteration 1: trace = 11.04205589335819 (0.320414% change) + iteration 1: trace = 11.04206017741995 (0.320433% change) linmin: converged after 11 iterations. switching to approximate line minimization (decrease time by 54.5455%) - iteration 2: trace = 11.02779351867074 (0.129248% change) - iteration 3: trace = 11.02770475042544 (0.000804953% change) + iteration 2: trace = 11.0277976699963 (0.129249% change) + iteration 3: trace = 11.02770886324074 (0.000805302% change) switching back to exact line minimization - large trace change predicted (0.0932951%) + large trace change predicted (0.0933155%) linmin: converged after 10 iterations. - iteration 4: trace = 11.01806746706182 (0.0874298% change) - linmin: converged after 6 iterations. - iteration 5: trace = 11.01664404674312 (0.0129198% change) + iteration 4: trace = 11.01807146504384 (0.0874308% change) + linmin: converged after 7 iterations. + iteration 5: trace = 11.01664799815122 (0.0129202% change) linmin: converged after 7 iterations. - iteration 6: trace = 11.01540354927172 (0.0112608% change) + iteration 6: trace = 11.01540741045268 (0.0112617% change) linmin: converged after 8 iterations. - iteration 7: trace = 11.01433928375019 (0.00966208% change) + iteration 7: trace = 11.01434298068926 (0.00966357% change) linmin: converged after 7 iterations. - iteration 8: trace = 11.01352665863151 (0.00737816% change) + iteration 8: trace = 11.01353019055183 (0.00737965% change) linmin: converged after 6 iterations. - iteration 9: trace = 11.01297368604901 (0.00502098% change) - linmin: converged after 6 iterations. - iteration 10: trace = 11.01260367498397 (0.00335983% change) - linmin: converged after 7 iterations. - iteration 11: trace = 11.01234600828291 (0.00233977% change) + iteration 9: trace = 11.01297707766476 (0.00502225% change) linmin: converged after 7 iterations. - iteration 12: trace = 11.01215736521394 (0.00171303% change) - linmin: converged after 5 iterations. - iteration 13: trace = 11.01201270994144 (0.0013136% change) - linmin: converged after 5 iterations. - iteration 14: trace = 11.01189720798149 (0.00104888% change) + iteration 10: trace = 11.01260698167132 (0.0033606% change) linmin: converged after 6 iterations. - iteration 15: trace = 11.01180164458289 (0.000867823% change) + iteration 11: trace = 11.01234926400402 (0.00234023% change) linmin: converged after 6 iterations. - iteration 16: trace = 11.01172002227122 (0.000741229% change) - linmin: converged after 5 iterations. - iteration 17: trace = 11.01164825313236 (0.000651754% change) - linmin: converged after 5 iterations. - iteration 18: trace = 11.01158341982805 (0.000588772% change) - linmin: converged after 5 iterations. - iteration 19: trace = 11.01152333759738 (0.000545629% change) - linmin: converged after 5 iterations. - iteration 20: trace = 11.01146628263761 (0.00051814% change) + iteration 12: trace = 11.01216058845286 (0.00171332% change) + linmin: converged after 6 iterations. + iteration 13: trace = 11.01201591146638 (0.0013138% change) linmin: converged after 5 iterations. - iteration 21: trace = 11.01141081766347 (0.000503703% change) + iteration 14: trace = 11.01190039362842 (0.00104902% change) linmin: converged after 5 iterations. - iteration 22: trace = 11.01135567480688 (0.00050078% change) + iteration 15: trace = 11.01180481951284 (0.00086792% change) linmin: converged after 5 iterations. - iteration 23: trace = 11.01129967373822 (0.000508577% change) + iteration 16: trace = 11.01172318894347 (0.000741303% change) linmin: converged after 5 iterations. - iteration 24: trace = 11.01124166425714 (0.000526819% change) - linmin: converged after 7 iterations. - iteration 25: trace = 11.01118048582044 (0.000555601% change) + iteration 17: trace = 11.01165141369873 (0.00065181% change) + linmin: converged after 6 iterations. + iteration 18: trace = 11.01158657593916 (0.000588812% change) linmin: converged after 5 iterations. - iteration 26: trace = 11.01111494136685 (0.000595255% change) + iteration 19: trace = 11.01152649032747 (0.00054566% change) linmin: converged after 5 iterations. - iteration 27: trace = 11.01104378715495 (0.000646206% change) + iteration 20: trace = 11.01146943292159 (0.000518162% change) linmin: converged after 5 iterations. - iteration 28: trace = 11.01096573549305 (0.000708851% change) + iteration 21: trace = 11.01141396636593 (0.000503717% change) linmin: converged after 5 iterations. - iteration 29: trace = 11.01087947554889 (0.000783403% change) + iteration 22: trace = 11.01135882248687 (0.00050079% change) linmin: converged after 6 iterations. - iteration 30: trace = 11.01078370865238 (0.000869752% change) + iteration 23: trace = 11.01130282117132 (0.000508579% change) linmin: converged after 6 iterations. - iteration 31: trace = 11.01067719511959 (0.000967361% change) - linmin: converged after 7 iterations. - iteration 32: trace = 11.0105588184778 (0.00107511% change) + iteration 24: trace = 11.01124481205805 (0.000526816% change) linmin: converged after 6 iterations. - iteration 33: trace = 11.01042763386273 (0.00119145% change) + iteration 25: trace = 11.01118363438379 (0.000555594% change) + linmin: converged after 8 iterations. + iteration 26: trace = 11.01111809139253 (0.000595242% change) linmin: converged after 5 iterations. - iteration 34: trace = 11.0102829332154 (0.00131422% change) + iteration 27: trace = 11.01104693932602 (0.000646186% change) + linmin: converged after 5 iterations. + iteration 28: trace = 11.01096888994612 (0.00070883% change) + linmin: converged after 6 iterations. + iteration 29: trace = 11.01088263325844 (0.000783374% change) linmin: converged after 7 iterations. - iteration 35: trace = 11.01012428690288 (0.0014409% change) + iteration 30: trace = 11.01078686892804 (0.000869728% change) linmin: converged after 7 iterations. - iteration 36: trace = 11.00995166081934 (0.0015679% change) + iteration 31: trace = 11.01068035935679 (0.000967325% change) + linmin: converged after 5 iterations. + iteration 32: trace = 11.01056198669662 (0.00107508% change) linmin: converged after 6 iterations. - iteration 37: trace = 11.00976540309208 (0.00169174% change) + iteration 33: trace = 11.01043080025473 (0.00119147% change) linmin: converged after 7 iterations. - iteration 38: trace = 11.0095663406236 (0.00180807% change) + iteration 34: trace = 11.01028609361768 (0.00131428% change) + linmin: converged after 7 iterations. + iteration 35: trace = 11.01012744853455 (0.00144089% change) + linmin: converged after 12 iterations. + iteration 36: trace = 11.00995482149952 (0.00156791% change) + linmin: converged after 7 iterations. + iteration 37: trace = 11.00976855444107 (0.00169182% change) linmin: converged after 5 iterations. - iteration 39: trace = 11.00935597949786 (0.00191073% change) - linmin: converged after 6 iterations. - iteration 40: trace = 11.00913645340698 (0.00199402% change) + iteration 38: trace = 11.00956953124179 (0.00180771% change) linmin: converged after 5 iterations. - iteration 41: trace = 11.00891053152842 (0.00205215% change) - linmin: converged after 8 iterations. - iteration 42: trace = 11.00868145429236 (0.00208086% change) - linmin: converged after 6 iterations. - iteration 43: trace = 11.00845263388484 (0.00207857% change) + iteration 39: trace = 11.00935915655233 (0.00191085% change) linmin: converged after 5 iterations. - iteration 44: trace = 11.00822723038049 (0.00204757% change) + iteration 40: trace = 11.00913961131684 (0.00199419% change) linmin: converged after 8 iterations. - iteration 45: trace = 11.00800786328904 (0.00199278% change) - linmin: converged after 6 iterations. - iteration 46: trace = 11.00779643783161 (0.00192067% change) - linmin: converged after 5 iterations. - iteration 47: trace = 11.00759390248773 (0.00183994% change) - linmin: converged after 6 iterations. - iteration 48: trace = 11.00740071738865 (0.00175503% change) - linmin: converged after 5 iterations. - iteration 49: trace = 11.00721679634582 (0.0016709% change) + iteration 41: trace = 11.0089136643763 (0.00205238% change) linmin: converged after 7 iterations. - iteration 50: trace = 11.00704174241288 (0.00159037% change) - linmin: converged after 6 iterations. - iteration 51: trace = 11.00687501456139 (0.00151475% change) - linmin: converged after 5 iterations. - iteration 52: trace = 11.00671594221069 (0.00144522% change) - linmin: converged after 5 iterations. - iteration 53: trace = 11.0065639269633 (0.00138112% change) - linmin: converged after 6 iterations. - iteration 54: trace = 11.00641839206615 (0.00132226% change) - linmin: converged after 6 iterations. - iteration 55: trace = 11.00627882365528 (0.00126807% change) + iteration 42: trace = 11.00868462760145 (0.00208049% change) + linmin: converged after 7 iterations. + iteration 43: trace = 11.00845576297204 (0.00207897% change) + linmin: converged after 9 iterations. + iteration 44: trace = 11.00823032225654 (0.00204791% change) + linmin: converged after 10 iterations. + iteration 45: trace = 11.00801098643357 (0.00199249% change) + linmin: converged after 8 iterations. + iteration 46: trace = 11.00779948325752 (0.00192138% change) + linmin: converged after 8 iterations. + iteration 47: trace = 11.0075969528546 (0.0018399% change) + linmin: converged after 10 iterations. + iteration 48: trace = 11.00740373798649 (0.0017553% change) + linmin: converged after 7 iterations. + iteration 49: trace = 11.00721982300476 (0.00167084% change) + linmin: converged after 7 iterations. + iteration 50: trace = 11.00704477328003 (0.00159033% change) + linmin: converged after 7 iterations. + iteration 51: trace = 11.00687800299147 (0.00151513% change) + linmin: converged after 9 iterations. + iteration 52: trace = 11.00671891369881 (0.00144537% change) linmin: converged after 6 iterations. - iteration 56: trace = 11.00614477805909 (0.00121791% change) + iteration 53: trace = 11.00656690007302 (0.00138111% change) linmin: converged after 5 iterations. - iteration 57: trace = 11.00601589002765 (0.00117106% change) + iteration 54: trace = 11.00642136608484 (0.00132226% change) linmin: converged after 6 iterations. - iteration 58: trace = 11.00589182996989 (0.00112721% change) - linmin: converged after 5 iterations. - iteration 59: trace = 11.00577235804738 (0.00108553% change) + iteration 55: trace = 11.00628178562815 (0.00126818% change) linmin: converged after 6 iterations. - iteration 60: trace = 11.00565724990092 (0.00104589% change) + iteration 56: trace = 11.00614772907248 (0.00121801% change) + linmin: converged after 9 iterations. + iteration 57: trace = 11.00601883049734 (0.00117116% change) linmin: converged after 5 iterations. - iteration 61: trace = 11.0055463444867 (0.00100772% change) + iteration 58: trace = 11.00589476788229 (0.00112723% change) + linmin: converged after 7 iterations. + iteration 59: trace = 11.00577527838391 (0.00108569% change) + linmin: converged after 7 iterations. + iteration 60: trace = 11.00566016553654 (0.00104594% change) linmin: converged after 5 iterations. - iteration 62: trace = 11.00543948448586 (0.00097097% change) + iteration 61: trace = 11.00554924833418 (0.00100782% change) + linmin: converged after 8 iterations. + iteration 62: trace = 11.00544237623913 (0.000971079% change) linmin: converged after 5 iterations. - iteration 63: trace = 11.00533654887428 (0.00093532% change) + iteration 63: trace = 11.00533943178406 (0.0009354% change) linmin: converged after 6 iterations. - iteration 64: trace = 11.00523742354759 (0.000900706% change) - linmin: converged after 5 iterations. - iteration 65: trace = 11.00514200366712 (0.000867044% change) + iteration 64: trace = 11.00524029250773 (0.000900833% change) linmin: converged after 5 iterations. - iteration 66: trace = 11.00505018069374 (0.000834368% change) + iteration 65: trace = 11.00514485821471 (0.000867175% change) + linmin: converged after 6 iterations. + iteration 66: trace = 11.00505301714201 (0.000834532% change) linmin: converged after 5 iterations. - iteration 67: trace = 11.00496184504172 (0.000802686% change) - linmin: converged after 7 iterations. - iteration 68: trace = 11.00487689134744 (0.000771961% change) + iteration 67: trace = 11.00496466568387 (0.00080283% change) linmin: converged after 5 iterations. - iteration 69: trace = 11.00479520018456 (0.000742321% change) + iteration 68: trace = 11.00487969516144 (0.000772114% change) + linmin: converged after 9 iterations. + iteration 69: trace = 11.00479798865831 (0.00074246% change) resetting CG direction... - large trace change predicted (0.115539%) - linmin: converged after 7 iterations. - iteration 70: trace = 10.99202103429551 (0.116146% change) + large trace change predicted (0.115575%) linmin: converged after 6 iterations. - iteration 71: trace = 10.99062236117629 (0.0127252% change) - linmin: converged after 8 iterations. - iteration 72: trace = 10.98948431511006 (0.0103552% change) + iteration 70: trace = 10.9920197731628 (0.116182% change) linmin: converged after 6 iterations. - iteration 73: trace = 10.98818648561436 (0.0118104% change) - linmin: converged after 5 iterations. - iteration 74: trace = 10.98802559188107 (0.00146425% change) - linmin: converged after 4 iterations. - iteration 75: trace = 10.98801515639975 (9.49714e-05% change) + iteration 71: trace = 10.99062142170452 (0.0127223% change) linmin: converged after 5 iterations. - iteration 76: trace = 10.98801412705257 (9.36791e-06% change) + iteration 72: trace = 10.98948417995583 (0.0103479% change) + linmin: converged after 7 iterations. + iteration 73: trace = 10.98818666544745 (0.0118076% change) linmin: converged after 5 iterations. - iteration 77: trace = 10.9880140963765 (2.79178e-07% change) - linmin: converged after 4 iterations. - iteration 78: trace = 10.98801409322136 (2.87144e-08% change) - linmin: converged after 3 iterations. - iteration 79: trace = 10.98801409310473 (1.06138e-09% change) + iteration 74: trace = 10.98802560133543 (0.0014658% change) linmin: converged after 4 iterations. - iteration 80: trace = 10.98801409303983 (5.90652e-10% change) + iteration 75: trace = 10.98801515751757 (9.50473e-05% change) linmin: converged after 4 iterations. - iteration 81: trace = 10.98801409311148 (6.5202e-10% change) - linmin: converged after 3 iterations. - iteration 82: trace = 10.98801409299052 (1.1008e-09% change) - linmin: converged after 3 iterations. - iteration 83: trace = 10.98801409304876 (5.29996e-10% change) + iteration 76: trace = 10.98801412700251 (9.37854e-06% change) + linmin: converged after 6 iterations. + iteration 77: trace = 10.98801409656703 (2.76988e-07% change) linmin: converged after 4 iterations. - iteration 84: trace = 10.98801409304146 (6.64274e-11% change) -Finished solving for bands 1 to 8 after 84 iterations. + iteration 78: trace = 10.98801409317593 (3.08618e-08% change) + linmin: converged after 13 iterations. + iteration 79: trace = 10.9880140931866 (9.71272e-11% change) +Finished solving for bands 1 to 8 after 79 iterations. tmfreqs:, 2, 0.05, 0, 0, 0.05, 0.0235585, 0.461962, 0.553534, 0.976586, 1.03685, 1.4784, 1.53022, 1.97778 -elapsed time for k point: 0.010328054428100586 +elapsed time for k point: 0.010206460952758789 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. - iteration 1: trace = 10.90376046824373 (0.00793522% change) + iteration 1: trace = 10.90376000572651 (0.0079323% change) linmin: converged after 4 iterations. - iteration 2: trace = 10.90359830907354 (0.0014872% change) + iteration 2: trace = 10.90359803792229 (0.00148544% change) linmin: converged after 3 iterations. - iteration 3: trace = 10.90350960463483 (0.000813537% change) - linmin: converged after 7 iterations. - iteration 4: trace = 10.90345230354924 (0.00052553% change) + iteration 3: trace = 10.90350953471401 (0.000811691% change) + linmin: converged after 3 iterations. + iteration 4: trace = 10.90345230261422 (0.000524898% change) + linmin: converged after 3 iterations. + iteration 5: trace = 10.90344655287026 (5.27333e-05% change) linmin: converged after 4 iterations. - iteration 5: trace = 10.90344655289567 (5.27416e-05% change) - linmin: converged after 5 iterations. - iteration 6: trace = 10.90344608445378 (4.29627e-06% change) - linmin: converged after 2 iterations. - iteration 7: trace = 10.90344604871542 (3.27771e-07% change) + iteration 6: trace = 10.90344608445589 (4.29602e-06% change) linmin: converged after 2 iterations. - iteration 8: trace = 10.9034460473527 (1.24981e-08% change) + iteration 7: trace = 10.90344604871551 (3.2779e-07% change) linmin: converged after 2 iterations. - iteration 9: trace = 10.9034460473056 (4.31926e-10% change) + iteration 8: trace = 10.90344604735269 (1.2499e-08% change) linmin: converged after 2 iterations. - iteration 10: trace = 10.90344604730442 (1.08829e-11% change) + iteration 9: trace = 10.90344604730559 (4.31909e-10% change) + linmin: converged after 4 iterations. + iteration 10: trace = 10.90344604730441 (1.08503e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 3, 0.1, 0, 0, 0.1, 0.047044, 0.445964, 0.569827, 0.954549, 1.059, 1.45407, 1.55459, 1.95293 -elapsed time for k point: 0.0012278556823730469 +elapsed time for k point: 0.0012462139129638672 solve_kpoint (0.15,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 10.82874318743302 (0.00713648% change) + iteration 1: trace = 10.82874318749508 (0.00713648% change) linmin: converged after 3 iterations. - iteration 2: trace = 10.82865179048751 (0.000844025% change) + iteration 2: trace = 10.82865179052107 (0.000844026% change) linmin: converged after 4 iterations. - iteration 3: trace = 10.8286391456429 (0.000116772% change) + iteration 3: trace = 10.82863914565789 (0.000116772% change) linmin: converged after 5 iterations. - iteration 4: trace = 10.82863201430636 (6.58563e-05% change) + iteration 4: trace = 10.82863201430734 (6.58564e-05% change) linmin: converged after 5 iterations. - iteration 5: trace = 10.82863047384795 (1.42258e-05% change) + iteration 5: trace = 10.82863047384796 (1.42258e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 10.82863033630219 (1.2702e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 10.82863032427763 (1.11044e-07% change) linmin: converged after 2 iterations. - iteration 8: trace = 10.82863032376797 (4.70661e-09% change) + iteration 8: trace = 10.82863032376797 (4.70655e-09% change) linmin: converged after 2 iterations. - iteration 9: trace = 10.8286303237533 (1.35499e-10% change) - linmin: converged after 4 iterations. - iteration 10: trace = 10.82863032375297 (3.01838e-12% change) + iteration 9: trace = 10.82863032375329 (1.35548e-10% change) + linmin: converged after 2 iterations. + iteration 10: trace = 10.82863032375297 (2.98558e-12% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 4, 0.15, 0, 0, 0.15, 0.0703703, 0.426194, 0.590125, 0.931007, 1.08275, 1.42941, 1.5793, 1.92803 -elapsed time for k point: 0.0012142658233642578 +elapsed time for k point: 0.001285552978515625 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -6358,7 +6382,7 @@ iteration 2: trace = 10.76375283235569 (0.000755387% change) linmin: converged after 4 iterations. iteration 3: trace = 10.76374658323256 (5.80571e-05% change) - linmin: converged after 5 iterations. + 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) @@ -6367,164 +6391,159 @@ linmin: converged after 2 iterations. iteration 7: trace = 10.76374481723281 (4.26968e-08% change) linmin: converged after 2 iterations. - iteration 8: trace = 10.76374481699878 (2.17426e-09% change) + iteration 8: trace = 10.76374481699878 (2.17422e-09% change) linmin: converged after 2 iterations. iteration 9: trace = 10.76374481699274 (5.60942e-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: 0.0011470317840576172 +elapsed time for k point: 0.0011126995086669922 solve_kpoint (0.25,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 10.70890918978214 (0.00701169% change) + iteration 1: trace = 10.70890918978213 (0.00701169% change) linmin: converged after 4 iterations. iteration 2: trace = 10.70883098425239 (0.000730287% change) - linmin: converged after 5 iterations. + linmin: converged after 4 iterations. iteration 3: trace = 10.70882611989432 (4.54238e-05% change) linmin: converged after 2 iterations. iteration 4: trace = 10.70882574797966 (3.47297e-06% change) linmin: converged after 2 iterations. - iteration 5: trace = 10.70882564389908 (9.71914e-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 = 10.70882562792913 (1.54008e-08% change) linmin: converged after 2 iterations. - iteration 8: trace = 10.70882562781417 (1.07346e-09% change) + iteration 8: trace = 10.70882562781417 (1.07348e-09% change) linmin: converged after 2 iterations. - iteration 9: trace = 10.70882562781128 (2.70049e-11% change) + iteration 9: trace = 10.70882562781128 (2.69717e-11% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 6, 0.25, 0, 0, 0.25, 0.11601, 0.383577, 0.634793, 0.883153, 1.13136, 1.37995, 1.62894, 1.8782 -elapsed time for k point: 0.0010840892791748047 +elapsed time for k point: 0.0011072158813476562 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 6 iterations. + iteration 2: trace = 10.66388956438719 (0.000720948% change) + linmin: converged after 4 iterations. iteration 3: trace = 10.66388515749335 (4.13254e-05% change) linmin: converged after 2 iterations. - iteration 4: trace = 10.66388497807411 (1.68249e-06% change) + iteration 4: trace = 10.6638849780741 (1.68249e-06% change) linmin: converged after 2 iterations. iteration 5: trace = 10.66388495145453 (2.49624e-07% change) linmin: converged after 2 iterations. - iteration 6: trace = 10.66388494762052 (3.59533e-08% change) + iteration 6: trace = 10.66388494762051 (3.59533e-08% change) linmin: converged after 2 iterations. - iteration 7: trace = 10.66388494718304 (4.10246e-09% change) + iteration 7: trace = 10.66388494718304 (4.10241e-09% change) linmin: converged after 2 iterations. - iteration 8: trace = 10.66388494713199 (4.78709e-10% change) + iteration 8: trace = 10.66388494713198 (4.78759e-10% change) linmin: converged after 2 iterations. - iteration 9: trace = 10.66388494713049 (1.40424e-11% change) + iteration 9: trace = 10.66388494713049 (1.40258e-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: 0.0011017322540283203 +elapsed time for k point: 0.001110076904296875 solve_kpoint (0.35,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 10.62900860023464 (0.00703179% change) + 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 = 10.62892805633392 (1.18399e-06% change) + iteration 4: trace = 10.62892805633393 (1.18399e-06% change) linmin: converged after 2 iterations. - iteration 5: trace = 10.62892804707553 (8.71056e-08% change) + iteration 5: trace = 10.62892804707553 (8.71057e-08% change) linmin: converged after 2 iterations. - iteration 6: trace = 10.62892804604186 (9.72507e-09% change) + iteration 6: trace = 10.62892804604186 (9.72509e-09% change) linmin: converged after 2 iterations. - iteration 7: trace = 10.62892804597542 (6.2508e-10% change) + iteration 7: trace = 10.62892804597542 (6.25063e-10% change) linmin: converged after 2 iterations. - iteration 8: trace = 10.62892804596423 (1.05255e-10% change) + iteration 8: trace = 10.62892804596423 (1.05272e-10% change) linmin: converged after 2 iterations. - iteration 9: trace = 10.62892804596352 (6.73513e-12% change) + iteration 9: trace = 10.62892804596352 (6.7017e-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: 0.0011017322540283203 +elapsed time for k point: 0.0010783672332763672 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.60403759597599 (0.00704272% change) - linmin: converged after 4 iterations. + linmin: converged after 10 iterations. + switching to approximate line minimization (decrease time by 52.3437%) iteration 2: trace = 10.60396176516587 (0.000715115% change) - linmin: converged after 5 iterations. - iteration 3: trace = 10.6039576473093 (3.88332e-05% change) - linmin: converged after 2 iterations. - iteration 4: trace = 10.60395754101094 (1.00244e-06% change) - linmin: converged after 2 iterations. - iteration 5: trace = 10.60395753615697 (4.57751e-08% change) - linmin: converged after 2 iterations. - iteration 6: trace = 10.60395753572879 (4.03789e-09% change) - linmin: converged after 2 iterations. - iteration 7: trace = 10.60395753570917 (1.85074e-10% change) - linmin: converged after 2 iterations. + 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 (1.85041e-10% change) iteration 8: trace = 10.6039575357088 (3.45088e-12% change) Finished solving for bands 1 to 8 after 8 iterations. tmfreqs:, 9, 0.4, 0, 0, 0.4, 0.176334, 0.324651, 0.702682, 0.813501, 1.20459, 1.30625, 1.70347, 1.80356 -elapsed time for k point: 0.0009906291961669922 +elapsed time for k point: 0.0008256435394287109 solve_kpoint (0.45,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 10.58905458874505 (0.00704958% change) + iteration 1: trace = 10.58905458874333 (0.00704958% change) linmin: converged after 4 iterations. - iteration 2: trace = 10.58897895638373 (0.000714253% change) - linmin: converged after 6 iterations. - iteration 3: trace = 10.58897488550179 (3.84445e-05% change) + iteration 2: trace = 10.58897895638349 (0.000714253% change) + linmin: converged after 4 iterations. + iteration 3: trace = 10.5889748855018 (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 (3.16888e-08% change) + iteration 5: trace = 10.58897478401991 (3.16889e-08% change) linmin: converged after 2 iterations. iteration 6: trace = 10.58897478378886 (2.18198e-09% change) linmin: converged after 2 iterations. - iteration 7: trace = 10.58897478377235 (1.55962e-10% change) + iteration 7: trace = 10.58897478377235 (1.55912e-10% change) linmin: converged after 2 iterations. - iteration 8: trace = 10.58897478377204 (2.91894e-12% change) + iteration 8: trace = 10.58897478377203 (2.95249e-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: 0.0009980201721191406 +elapsed time for k point: 0.0010433197021484375 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) linmin: converged after 4 iterations. iteration 2: trace = 10.58398461985988 (0.000713897% change) - linmin: converged after 4 iterations. + linmin: converged after 5 iterations. iteration 3: trace = 10.58398056403726 (3.83204e-05% change) linmin: converged after 2 iterations. iteration 4: trace = 10.58398046806651 (9.06755e-07% change) linmin: converged after 2 iterations. iteration 5: trace = 10.58398046509703 (2.80564e-08% change) linmin: converged after 2 iterations. - iteration 6: trace = 10.58398046493152 (1.56375e-09% change) + iteration 6: trace = 10.58398046493153 (1.5637e-09% change) linmin: converged after 2 iterations. - iteration 7: trace = 10.58398046491724 (1.34939e-10% change) + iteration 7: trace = 10.58398046491724 (1.35006e-10% change) linmin: converged after 1 iterations. - iteration 8: trace = 10.58398046491708 (1.51051e-12% change) + iteration 8: trace = 10.58398046491708 (1.47694e-12% change) Finished solving for bands 1 to 8 after 8 iterations. tmfreqs:, 11, 0.5, 0, 0, 0.5, 0.194775, 0.306403, 0.73165, 0.784262, 1.2441, 1.26666, 1.74884, 1.75817 -.elapsed time for k point: 0.0009708404541015625 +.elapsed time for k point: 0.0010118484497070312 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: 0.30640302623084414 at Vector3<0.5, 0.0, 0.0> to 0.46877485258675194 at Vector3<0.0, 0.0, 0.0> -Band 3 range: 0.5466257501316379 at Vector3<0.0, 0.0, 0.0> to 0.7316504426541639 at Vector3<0.5, 0.0, 0.0> -Band 4 range: 0.7842615905093814 at Vector3<0.5, 0.0, 0.0> to 0.9893486155437461 at Vector3<0.0, 0.0, 0.0> -Band 5 range: 1.0240548648146843 at Vector3<0.0, 0.0, 0.0> to 1.244098004202587 at Vector3<0.5, 0.0, 0.0> -Band 6 range: 1.2666566861855073 at Vector3<0.5, 0.0, 0.0> to 1.4970379696966398 at Vector3<0.0, 0.0, 0.0> -Band 7 range: 1.5115800994652084 at Vector3<0.0, 0.0, 0.0> to 1.7488359039910488 at Vector3<0.5, 0.0, 0.0> -Band 8 range: 1.7581683208483643 at Vector3<0.5, 0.0, 0.0> to 1.9999072006824996 at Vector3<0.0, 0.0, 0.0> -Gap from band 1 (0.19477466366820304) to band 2 (0.30640302623084414), 44.54642128428603% -Gap from band 2 (0.46877485258675194) to band 3 (0.5466257501316379), 15.334026262436064% -Gap from band 3 (0.7316504426541639) to band 4 (0.7842615905093814), 6.941187444158442% -Gap from band 4 (0.9893486155437461) to band 5 (1.0240548648146843), 3.447520540171089% -Gap from band 5 (1.244098004202587) to band 6 (1.2666566861855073), 1.7969642410133866% -Gap from band 6 (1.4970379696966398) to band 7 (1.5115800994652084), 0.9666982936534588% -Gap from band 7 (1.7488359039910488) to band 8 (1.7581683208483643), 0.532215889060857% -total elapsed time for run: 0.026224136352539062 +Band 2 range: 0.30640302623084353 at Vector3<0.5, 0.0, 0.0> to 0.4687748525867721 at Vector3<0.0, 0.0, 0.0> +Band 3 range: 0.546625750131789 at Vector3<0.0, 0.0, 0.0> to 0.7316504426541638 at Vector3<0.5, 0.0, 0.0> +Band 4 range: 0.7842615905093819 at Vector3<0.5, 0.0, 0.0> to 0.9893486155436669 at Vector3<0.0, 0.0, 0.0> +Band 5 range: 1.0240548648147172 at Vector3<0.0, 0.0, 0.0> to 1.2440980042025886 at Vector3<0.5, 0.0, 0.0> +Band 6 range: 1.2666566861855095 at Vector3<0.5, 0.0, 0.0> to 1.4970379696967682 at Vector3<0.0, 0.0, 0.0> +Band 7 range: 1.5115800994654047 at Vector3<0.0, 0.0, 0.0> to 1.748835903991051 at Vector3<0.5, 0.0, 0.0> +Band 8 range: 1.758168320848366 at Vector3<0.5, 0.0, 0.0> to 1.9999072006816017 at Vector3<0.0, 0.0, 0.0> +Gap from band 1 (0.19477466366820304) to band 2 (0.30640302623084353), 44.54642128428585% +Gap from band 2 (0.4687748525867721) to band 3 (0.546625750131789), 15.334026262459272% +Gap from band 3 (0.7316504426541638) to band 4 (0.7842615905093819), 6.941187444158526% +Gap from band 4 (0.9893486155436669) to band 5 (1.0240548648147172), 3.4475205401822966% +Gap from band 5 (1.2440980042025886) to band 6 (1.2666566861855095), 1.7969642410134372% +Gap from band 6 (1.4970379696967682) to band 7 (1.5115800994654047), 0.9666982936578711% +Gap from band 7 (1.748835903991051) to band 8 (1.758168320848366), 0.5322158890608312% +total elapsed time for run: 0.026162147521972656 done -/tmp/meepZVgGID/test_bragg_sine-0: 0.03s +/tmp/meepWDyqgO/test_bragg_sine-0: 0.03s -/tmp/meepZVgGID/test_compute_field_energy-0 +/tmp/meepWDyqgO/test_compute_field_energy-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -6567,7 +6586,7 @@ 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: 0.001379251480102539 +elapsed time for initialization: 0.0013554096221923828 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... @@ -6678,7 +6697,7 @@ iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.14063763618469238 +elapsed time for k point: 0.14557623863220215 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -6929,7 +6948,7 @@ iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.39223289489746094 +elapsed time for k point: 0.47478556632995605 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -6986,7 +7005,7 @@ iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.08696222305297852 +elapsed time for k point: 0.08815860748291016 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7039,7 +7058,7 @@ iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.07951569557189941 +elapsed time for k point: 0.08079123497009277 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7100,7 +7119,7 @@ iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.0921940803527832 +elapsed time for k point: 0.09379839897155762 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7193,7 +7212,7 @@ iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.14379167556762695 +elapsed time for k point: 0.1463456153869629 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -7264,7 +7283,7 @@ iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.10846638679504395 +elapsed time for k point: 0.11057567596435547 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7325,7 +7344,7 @@ iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.09231758117675781 +elapsed time for k point: 0.09392881393432617 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7378,7 +7397,7 @@ iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.0796501636505127 +elapsed time for k point: 0.08140063285827637 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7430,7 +7449,7 @@ iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.07625317573547363 +elapsed time for k point: 0.07750439643859863 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7482,7 +7501,7 @@ iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.07599520683288574 +elapsed time for k point: 0.07747507095336914 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7523,7 +7542,7 @@ iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.06007862091064453 +elapsed time for k point: 0.10673284530639648 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7570,7 +7589,7 @@ iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.07024455070495605 +elapsed time for k point: 0.11302876472473145 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7633,7 +7652,7 @@ iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.09605264663696289 +elapsed time for k point: 0.09987568855285645 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7706,7 +7725,7 @@ iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.11197209358215332 +elapsed time for k point: 0.183929443359375 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -7901,7 +7920,7 @@ iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.2490708827972412 +elapsed time for k point: 0.2851111888885498 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> @@ -7913,13 +7932,13 @@ Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% -total elapsed time for run: 1.957925796508789 +total elapsed time for run: 2.2615785598754883 done Fixing h-field (band 8) phase by -1 + 2.58922e-07i; max ampl. = 4.48388 D-energy-components:, 16, 8, 0.499991, 0.500009, 0 -./tmp/meepZVgGID/test_compute_field_energy-0: 1.96s +./tmp/meepWDyqgO/test_compute_field_energy-0: 2.26s -/tmp/meepZVgGID/test_compute_group_velocity-0 +/tmp/meepWDyqgO/test_compute_group_velocity-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -7962,7 +7981,7 @@ 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: 0.0013802051544189453 +elapsed time for initialization: 0.0013620853424072266 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... @@ -8073,7 +8092,7 @@ iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.14072966575622559 +elapsed time for k point: 0.14409160614013672 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -8324,7 +8343,7 @@ iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.3918278217315674 +elapsed time for k point: 0.3993806838989258 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -8381,7 +8400,7 @@ iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.08690094947814941 +elapsed time for k point: 0.08813786506652832 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -8434,7 +8453,7 @@ iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.07943272590637207 +elapsed time for k point: 0.08120179176330566 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -8495,7 +8514,7 @@ iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.09231281280517578 +elapsed time for k point: 0.09635806083679199 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -8588,7 +8607,7 @@ iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.1435070037841797 +elapsed time for k point: 0.14619755744934082 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -8659,7 +8678,7 @@ iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.10863161087036133 +elapsed time for k point: 0.11067676544189453 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -8720,7 +8739,7 @@ iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.0923452377319336 +elapsed time for k point: 0.0956735610961914 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -8773,7 +8792,7 @@ iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.08002591133117676 +elapsed time for k point: 0.1548314094543457 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -8825,7 +8844,7 @@ iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.07599186897277832 +elapsed time for k point: 0.11079812049865723 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -8877,7 +8896,7 @@ iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.07608580589294434 +elapsed time for k point: 0.07764339447021484 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -8918,7 +8937,7 @@ iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.06020522117614746 +elapsed time for k point: 0.061491966247558594 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -8965,7 +8984,7 @@ iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.0701451301574707 +elapsed time for k point: 0.07117366790771484 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -9028,7 +9047,7 @@ iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.09572935104370117 +elapsed time for k point: 0.09758114814758301 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -9101,7 +9120,7 @@ iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.11172223091125488 +elapsed time for k point: 0.11354684829711914 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -9296,7 +9315,7 @@ iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -.elapsed time for k point: 0.24906253814697266 +.elapsed time for k point: 0.25460100173950195 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> @@ -9308,11 +9327,11 @@ Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% -total elapsed time for run: 1.9572172164916992 +total elapsed time for run: 2.1059441566467285 done -/tmp/meepZVgGID/test_compute_group_velocity-0: 1.96s +/tmp/meepWDyqgO/test_compute_group_velocity-0: 2.11s -/tmp/meepZVgGID/test_compute_integrals-0 +/tmp/meepWDyqgO/test_compute_integrals-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -9355,7 +9374,7 @@ 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: 0.0013239383697509766 +elapsed time for initialization: 0.0013499259948730469 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... @@ -9466,7 +9485,7 @@ iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.1404118537902832 +elapsed time for k point: 0.14318442344665527 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -9717,7 +9736,7 @@ iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.39075493812561035 +elapsed time for k point: 0.3981924057006836 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -9774,7 +9793,7 @@ iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.08628416061401367 +elapsed time for k point: 0.08817791938781738 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -9827,7 +9846,7 @@ iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.07953715324401855 +elapsed time for k point: 0.0809476375579834 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -9888,7 +9907,7 @@ iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.09198594093322754 +elapsed time for k point: 0.09397101402282715 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -9981,7 +10000,7 @@ iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.14380979537963867 +elapsed time for k point: 0.1462702751159668 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -10052,7 +10071,7 @@ iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.10851383209228516 +elapsed time for k point: 0.11036062240600586 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10113,7 +10132,7 @@ iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.09272599220275879 +elapsed time for k point: 0.09370994567871094 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10166,7 +10185,7 @@ iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.07954668998718262 +elapsed time for k point: 0.08088421821594238 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10218,7 +10237,7 @@ iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.07606196403503418 +elapsed time for k point: 0.0771794319152832 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10270,7 +10289,7 @@ iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.07620429992675781 +elapsed time for k point: 0.07709574699401855 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10311,7 +10330,7 @@ iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.060486793518066406 +elapsed time for k point: 0.06110644340515137 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10358,7 +10377,7 @@ iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.07011008262634277 +elapsed time for k point: 0.07072687149047852 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10421,7 +10440,7 @@ iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.09569692611694336 +elapsed time for k point: 0.09679794311523438 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10494,7 +10513,7 @@ iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.11178064346313477 +elapsed time for k point: 0.11361384391784668 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -10689,7 +10708,7 @@ iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.24916958808898926 +elapsed time for k point: 0.2542588710784912 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> @@ -10701,14 +10720,14 @@ Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% -total elapsed time for run: 1.9555282592773438 +total elapsed time for run: 1.9889857769012451 done Fixing h-field (band 8) phase by -1 + 2.58922e-07i; max ampl. = 4.48388 H-energy-components:, 16, 8, 0, 0, 1 Fixing e-field (band 8) phase by 6.12323e-17 + -1i; max ampl. = 1.10099 -./tmp/meepZVgGID/test_compute_integrals-0: 1.96s +./tmp/meepWDyqgO/test_compute_integrals-0: 1.99s -/tmp/meepZVgGID/test_diamond-0 +/tmp/meepWDyqgO/test_diamond-0 ======================== Initializing eigensolver data Computing 5 bands with 1e-12 tolerance @@ -10768,7 +10787,7 @@ 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: 0.020628690719604492 +elapsed time for initialization: 0.020606040954589844 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... @@ -10885,7 +10904,7 @@ iteration 54: trace = 1.074849137530269 (7.18493e-11% change) Finished solving for bands 1 to 5 after 54 iterations. freqs:, 1, 0, 0.5, 0.5, 1, 0.38015, 0.381243, 0.495263, 0.496788, 0.541208 -elapsed time for k point: 0.380953311920166 +elapsed time for k point: 0.39156579971313477 solve_kpoint (0,0.525,0.475): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -10959,7 +10978,7 @@ iteration 34: trace = 1.072165047038117 (4.88547e-11% change) Finished solving for bands 1 to 5 after 34 iterations. freqs:, 2, 0, 0.525, 0.475, 1.0025, 0.380386, 0.382168, 0.495624, 0.497176, 0.537208 -elapsed time for k point: 0.24146008491516113 +elapsed time for k point: 0.2469196319580078 solve_kpoint (0,0.55,0.45): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -11024,7 +11043,7 @@ iteration 30: trace = 1.06549928654484 (4.31794e-11% change) Finished solving for bands 1 to 5 after 30 iterations. freqs:, 3, 0, 0.55, 0.45, 1.00995, 0.380966, 0.38483, 0.496711, 0.498342, 0.526501 -elapsed time for k point: 0.21469664573669434 +elapsed time for k point: 0.21875929832458496 solve_kpoint (0,0.575,0.425): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -11087,7 +11106,7 @@ iteration 29: trace = 1.057289581654965 (3.30141e-11% change) Finished solving for bands 1 to 5 after 29 iterations. freqs:, 4, 0, 0.575, 0.425, 1.02225, 0.381461, 0.388864, 0.498536, 0.500287, 0.511601 -elapsed time for k point: 0.20725417137145996 +elapsed time for k point: 0.21213364601135254 solve_kpoint (0,0.6,0.4): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -11148,7 +11167,7 @@ iteration 28: trace = 1.049127496701628 (7.79284e-11% change) Finished solving for bands 1 to 5 after 28 iterations. freqs:, 5, 0, 0.6, 0.4, 1.03923, 0.381077, 0.393446, 0.49495, 0.501109, 0.503014 -elapsed time for k point: 0.19990062713623047 +elapsed time for k point: 0.20619487762451172 solve_kpoint (0,0.625,0.375): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -11247,26 +11266,26 @@ iteration 45: trace = 1.041449469149446 (8.38971e-11% change) Finished solving for bands 1 to 5 after 45 iterations. freqs:, 6, 0, 0.625, 0.375, 1.06066, 0.378621, 0.396729, 0.479263, 0.504432, 0.506514 -elapsed time for k point: 0.3190159797668457 +elapsed time for k point: 0.3262479305267334 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/meepZVgGID/test_diamond-0-dpwr.k06.b01.h5... +Outputting /tmp/meepWDyqgO/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/meepZVgGID/test_diamond-0-dpwr.k06.b02.h5... +Outputting /tmp/meepWDyqgO/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/meepZVgGID/test_diamond-0-dpwr.k06.b03.h5... +Outputting /tmp/meepWDyqgO/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/meepZVgGID/test_diamond-0-dpwr.k06.b04.h5... +Outputting /tmp/meepWDyqgO/test_diamond-0-dpwr.k06.b04.h5... D-energy-components:, 6, 4, 0.11714, 0.441055, 0.441805 Fixing d-field (band 5) phase by -0.997721 + -0.0674729i; max ampl. = 12.8979 D-energy-components:, 6, 5, 0.238579, 0.435374, 0.326046 -Outputting /tmp/meepZVgGID/test_diamond-0-dpwr.k06.b05.h5... +Outputting /tmp/meepWDyqgO/test_diamond-0-dpwr.k06.b05.h5... D-energy-components:, 6, 5, 0.238579, 0.435374, 0.326046 solve_kpoint (0,0.6,0.3): Solving for bands 1 to 5... @@ -11361,7 +11380,7 @@ iteration 44: trace = 1.012177885713607 (8.00492e-11% change) Finished solving for bands 1 to 5 after 44 iterations. freqs:, 7, 0, 0.6, 0.3, 0.994987, 0.369582, 0.388559, 0.467091, 0.487657, 0.518291 -elapsed time for k point: 0.31899261474609375 +elapsed time for k point: 0.3168814182281494 solve_kpoint (0,0.575,0.225): Solving for bands 1 to 5... linmin: converged after 4 iterations. @@ -11570,7 +11589,7 @@ iteration 98: trace = 0.9843245997396673 (8.04646e-11% change) Finished solving for bands 1 to 5 after 98 iterations. freqs:, 8, 0, 0.575, 0.225, 0.940744, 0.356415, 0.3702, 0.457212, 0.470085, 0.538723 -elapsed time for k point: 0.688798189163208 +elapsed time for k point: 0.7042486667633057 solve_kpoint (0,0.55,0.15): Solving for bands 1 to 5... linmin: converged after 4 iterations. @@ -11631,7 +11650,7 @@ iteration 28: trace = 0.9576556581103823 (3.54518e-11% change) Finished solving for bands 1 to 5 after 28 iterations. freqs:, 9, 0, 0.55, 0.15, 0.9, 0.344555, 0.351994, 0.449598, 0.455588, 0.552575 -elapsed time for k point: 0.2006995677947998 +elapsed time for k point: 0.20602083206176758 solve_kpoint (0,0.525,0.075): Solving for bands 1 to 5... linmin: converged after 4 iterations. @@ -11690,7 +11709,7 @@ iteration 27: trace = 0.9411112577617193 (6.08486e-11% change) Finished solving for bands 1 to 5 after 27 iterations. freqs:, 10, 0, 0.525, 0.075, 0.874643, 0.336533, 0.339294, 0.444662, 0.446211, 0.562057 -elapsed time for k point: 0.19295287132263184 +elapsed time for k point: 0.19840764999389648 solve_kpoint (0,0.5,0): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -11745,7 +11764,7 @@ iteration 25: trace = 0.9357235226332373 (8.36591e-11% change) Finished solving for bands 1 to 5 after 25 iterations. freqs:, 11, 0, 0.5, 0, 0.866025, 0.333545, 0.334937, 0.442371, 0.443555, 0.565558 -elapsed time for k point: 0.17862749099731445 +elapsed time for k point: 0.18526411056518555 solve_kpoint (0,0.4,0): Solving for bands 1 to 5... linmin: converged after 6 iterations. @@ -11796,7 +11815,7 @@ iteration 23: trace = 0.945790283755921 (2.37354e-11% change) Finished solving for bands 1 to 5 after 23 iterations. freqs:, 12, 0, 0.4, 0, 0.69282, 0.299948, 0.301256, 0.47018, 0.471285, 0.567351 -elapsed time for k point: 0.16505908966064453 +elapsed time for k point: 0.17338895797729492 solve_kpoint (0,0.3,0): Solving for bands 1 to 5... linmin: converged after 6 iterations. @@ -11849,7 +11868,7 @@ iteration 24: trace = 0.9752654264419814 (4.54328e-11% change) Finished solving for bands 1 to 5 after 24 iterations. freqs:, 13, 0, 0.3, 0, 0.519615, 0.235132, 0.236238, 0.517406, 0.518221, 0.572633 -elapsed time for k point: 0.17226314544677734 +elapsed time for k point: 0.17888545989990234 solve_kpoint (0,0.2,0): Solving for bands 1 to 5... linmin: converged after 7 iterations. @@ -11912,7 +11931,7 @@ iteration 29: trace = 1.018103142805607 (4.32485e-11% change) Finished solving for bands 1 to 5 after 29 iterations. freqs:, 14, 0, 0.2, 0, 0.34641, 0.160616, 0.161417, 0.560554, 0.560855, 0.580923 -elapsed time for k point: 0.2079455852508545 +elapsed time for k point: 0.21596813201904297 solve_kpoint (0,0.1,0): Solving for bands 1 to 5... linmin: converged after 9 iterations. @@ -11995,7 +12014,7 @@ iteration 39: trace = 1.053033043400877 (3.26625e-11% change) Finished solving for bands 1 to 5 after 39 iterations. freqs:, 15, 0, 0.1, 0, 0.173205, 0.0813864, 0.0818061, 0.587706, 0.587881, 0.59052 -elapsed time for k point: 0.2766280174255371 +elapsed time for k point: 0.2886505126953125 solve_kpoint (0,0,0): Solving for bands 3 to 5... linmin: converged after 7 iterations. @@ -12060,7 +12079,7 @@ iteration 30: trace = 1.064751580635709 (6.98613e-11% change) Finished solving for bands 3 to 5 after 30 iterations. freqs:, 16, 0, 0, 0, 0, 0, 0, 0.59559, 0.595819, 0.595839 -elapsed time for k point: 0.11030435562133789 +elapsed time for k point: 0.11514663696289062 solve_kpoint (0,0.1,0.1): Solving for bands 1 to 5... linmin: converged after 9 iterations. @@ -12123,7 +12142,7 @@ iteration 29: trace = 1.0539009862981 (7.6817e-11% change) Finished solving for bands 1 to 5 after 29 iterations. freqs:, 17, 0, 0.1, 0.1, 0.2, 0.09409, 0.0944497, 0.585515, 0.585945, 0.591581 -elapsed time for k point: 0.20696115493774414 +elapsed time for k point: 0.2157304286956787 solve_kpoint (0,0.2,0.2): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -12192,7 +12211,7 @@ iteration 32: trace = 1.050698953929234 (7.01406e-11% change) Finished solving for bands 1 to 5 after 32 iterations. freqs:, 18, 0, 0.2, 0.2, 0.4, 0.185559, 0.18625, 0.566601, 0.567223, 0.582064 -elapsed time for k point: 0.22776031494140625 +elapsed time for k point: 0.23745989799499512 solve_kpoint (0,0.3,0.3): Solving for bands 1 to 5... linmin: converged after 4 iterations. @@ -12602,7 +12621,7 @@ iteration 196: trace = 1.068626525298606 (3.68195e-11% change) Finished solving for bands 1 to 5 after 196 iterations. freqs:, 19, 0, 0.3, 0.3, 0.6, 0.271029, 0.271988, 0.546939, 0.547286, 0.567915 -elapsed time for k point: 1.3701543807983398 +elapsed time for k point: 1.4254460334777832 solve_kpoint (0,0.4,0.4): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -12839,7 +12858,7 @@ iteration 111: trace = 1.073945835690725 (7.52385e-11% change) Finished solving for bands 1 to 5 after 111 iterations. freqs:, 20, 0, 0.4, 0.4, 0.8, 0.343862, 0.344966, 0.517995, 0.519047, 0.546786 -elapsed time for k point: 0.7793564796447754 +elapsed time for k point: 0.8133914470672607 solve_kpoint (0,0.5,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -12920,7 +12939,7 @@ iteration 38: trace = 1.074849137511864 (9.60194e-11% change) Finished solving for bands 1 to 5 after 38 iterations. freqs:, 21, 0, 0.5, 0.5, 1, 0.38015, 0.381243, 0.495263, 0.496788, 0.541208 -elapsed time for k point: 0.269381046295166 +elapsed time for k point: 0.2805159091949463 solve_kpoint (0.05,0.55,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -13036,7 +13055,7 @@ iteration 54: trace = 1.072295938991753 (8.20841e-11% change) Finished solving for bands 1 to 5 after 54 iterations. freqs:, 22, 0.05, 0.55, 0.5, 1.00499, 0.381309, 0.382411, 0.495948, 0.497425, 0.535972 -elapsed time for k point: 0.38085150718688965 +elapsed time for k point: 0.39733386039733887 solve_kpoint (0.1,0.6,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -13125,7 +13144,7 @@ iteration 41: trace = 1.068969931035931 (7.09773e-11% change) Finished solving for bands 1 to 5 after 41 iterations. freqs:, 23, 0.1, 0.6, 0.5, 1.0198, 0.384516, 0.385642, 0.497116, 0.498376, 0.526207 -elapsed time for k point: 0.29259800910949707 +elapsed time for k point: 0.30278825759887695 solve_kpoint (0.15,0.65,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -13217,7 +13236,7 @@ iteration 43: trace = 1.06642153190616 (5.37402e-11% change) Finished solving for bands 1 to 5 after 43 iterations. freqs:, 24, 0.15, 0.65, 0.5, 1.04403, 0.388899, 0.39006, 0.495493, 0.496211, 0.520859 -elapsed time for k point: 0.30541324615478516 +elapsed time for k point: 0.3168163299560547 solve_kpoint (0.2,0.7,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -13309,7 +13328,7 @@ iteration 42: trace = 1.064700431018219 (3.82692e-11% change) Finished solving for bands 1 to 5 after 42 iterations. freqs:, 25, 0.2, 0.7, 0.5, 1.07703, 0.392891, 0.394091, 0.490499, 0.490808, 0.523019 -elapsed time for k point: 0.29883527755737305 +elapsed time for k point: 0.30925679206848145 solve_kpoint (0.25,0.75,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -13468,7 +13487,7 @@ iteration 73: trace = 1.065402856570094 (7.29448e-11% change) Finished solving for bands 1 to 5 after 73 iterations. freqs:, 26, 0.25, 0.75, 0.5, 1.11803, 0.394551, 0.395772, 0.487945, 0.488132, 0.526056 -elapsed time for k point: 0.5137989521026611 +elapsed time for k point: 0.5340921878814697 solve_kpoint (0.275,0.75,0.475): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -13557,7 +13576,7 @@ iteration 42: trace = 1.057545258821419 (4.71365e-11% change) Finished solving for bands 1 to 5 after 42 iterations. freqs:, 27, 0.275, 0.75, 0.475, 1.09772, 0.391745, 0.39651, 0.484446, 0.491809, 0.5199 -elapsed time for k point: 0.29836463928222656 +elapsed time for k point: 0.3090629577636719 solve_kpoint (0.3,0.75,0.45): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -13622,7 +13641,7 @@ iteration 30: trace = 1.048737745947218 (6.70535e-11% change) Finished solving for bands 1 to 5 after 30 iterations. freqs:, 28, 0.3, 0.75, 0.45, 1.08167, 0.387217, 0.396766, 0.481876, 0.494898, 0.514052 -elapsed time for k point: 0.2141554355621338 +elapsed time for k point: 0.22202467918395996 solve_kpoint (0.325,0.75,0.425): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -13693,7 +13712,7 @@ iteration 33: trace = 1.042055197882125 (5.9919e-11% change) Finished solving for bands 1 to 5 after 33 iterations. freqs:, 29, 0.325, 0.75, 0.425, 1.07005, 0.383285, 0.396393, 0.480245, 0.4979, 0.509391 -elapsed time for k point: 0.23557639122009277 +elapsed time for k point: 0.24346590042114258 solve_kpoint (0.35,0.75,0.4): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -13776,7 +13795,7 @@ iteration 39: trace = 1.039345689984557 (8.34473e-11% change) Finished solving for bands 1 to 5 after 39 iterations. freqs:, 30, 0.35, 0.75, 0.4, 1.06301, 0.380687, 0.395955, 0.479389, 0.501411, 0.506376 -elapsed time for k point: 0.27700138092041016 +elapsed time for k point: 0.28730010986328125 solve_kpoint (0.375,0.75,0.375): Solving for bands 1 to 5... linmin: converged after 4 iterations. @@ -13892,18 +13911,18 @@ iteration 54: trace = 1.040877620150959 (8.65244e-11% change) Finished solving for bands 1 to 5 after 54 iterations. freqs:, 31, 0.375, 0.75, 0.375, 1.06066, 0.379784, 0.395774, 0.479133, 0.505118, 0.505264 -Felapsed time for k point: 0.38200902938842773 +Felapsed time for k point: 0.3987429141998291 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.39455107895905434 at Vector3<0.25, 0.75, 0.5> Band 2 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.3967658014080591 at Vector3<0.3, 0.75, 0.45> Band 3 range: 0.44237076681729864 at Vector3<0.0, 0.5, 0.0> to 0.5955899630254649 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.44355516512198084 at Vector3<0.0, 0.5, 0.0> to 0.5958191312898843 at Vector3<0.0, 0.0, 0.0> Band 5 range: 0.5030135895148895 at Vector3<0.0, 0.6, 0.4> to 0.5958386856926983 at Vector3<0.0, 0.0, 0.0> Gap from band 2 (0.3967658014080591) to band 3 (0.44237076681729864), 10.869497799550526% -total elapsed time for run: 10.167306423187256 +total elapsed time for run: 10.519321918487549 done -/tmp/meepZVgGID/test_diamond-0: 10.17s +/tmp/meepWDyqgO/test_diamond-0: 10.52s -/tmp/meepZVgGID/test_epsilon_input_file-0 +/tmp/meepWDyqgO/test_epsilon_input_file-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -13945,7 +13964,7 @@ 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: 0.002079010009765625 +elapsed time for initialization: 0.0021359920501708984 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... @@ -14074,7 +14093,7 @@ iteration 61: trace = 5.414470666068269 (7.20619e-11% change) Finished solving for bands 2 to 8 after 61 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.554399, 0.761333, 0.761334, 0.894089, 0.998343, 0.998344, 1.07475 -elapsed time for k point: 0.16330552101135254 +elapsed time for k point: 0.1675126552581787 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -14123,7 +14142,7 @@ iteration 22: trace = 5.384693219081496 (7.55613e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0879993, 0.552518, 0.748716, 0.762869, 0.888847, 0.992942, 0.998586, 1.07516 -elapsed time for k point: 0.0739898681640625 +elapsed time for k point: 0.07475805282592773 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -14166,7 +14185,7 @@ iteration 19: trace = 5.344827613715934 (7.49783e-11% change) Finished solving for bands 1 to 8 after 19 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.175173, 0.545105, 0.716013, 0.766968, 0.874229, 0.997272, 0.999271, 1.07644 -elapsed time for k point: 0.0642390251159668 +elapsed time for k point: 0.06528306007385254 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -14213,7 +14232,7 @@ iteration 21: trace = 5.332538776580063 (2.57999e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.260381, 0.525802, 0.677399, 0.772205, 0.858581, 1.00023, 1.01596, 1.07856 -elapsed time for k point: 0.07021403312683105 +elapsed time for k point: 0.07133150100708008 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -14266,7 +14285,7 @@ iteration 24: trace = 5.352151659035269 (5.8563e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.341313, 0.485827, 0.650379, 0.776592, 0.84814, 1.00112, 1.04085, 1.08101 -elapsed time for k point: 0.08012723922729492 +elapsed time for k point: 0.0808875560760498 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -14337,7 +14356,7 @@ iteration 33: trace = 5.378204986194199 (9.66258e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.399713, 0.44029, 0.641795, 0.778307, 0.844568, 1.00149, 1.05803, 1.08222 -elapsed time for k point: 0.10913300514221191 +elapsed time for k point: 0.11085915565490723 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -14392,7 +14411,7 @@ iteration 25: trace = 5.28099171481807 (8.74389e-11% change) Finished solving for bands 1 to 8 after 25 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.410728, 0.444341, 0.636537, 0.78389, 0.839813, 0.968201, 1.03809, 1.08391 -elapsed time for k point: 0.08360910415649414 +elapsed time for k point: 0.08467459678649902 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -14441,7 +14460,7 @@ iteration 22: trace = 5.121436678029978 (6.86584e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.441866, 0.455742, 0.622718, 0.799069, 0.81865, 0.919493, 0.999313, 1.08532 -elapsed time for k point: 0.0734243392944336 +elapsed time for k point: 0.07444643974304199 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -14480,7 +14499,7 @@ iteration 17: trace = 4.989265495381122 (5.02544e-11% change) Finished solving for bands 1 to 8 after 17 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.472164, 0.488272, 0.604358, 0.769828, 0.821208, 0.893668, 0.95752, 1.08635 -elapsed time for k point: 0.0576479434967041 +elapsed time for k point: 0.05840921401977539 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -14517,7 +14536,7 @@ iteration 16: trace = 4.906005206120695 (8.89083e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.488979, 0.542408, 0.586566, 0.707953, 0.84869, 0.885188, 0.917534, 1.08708 -elapsed time for k point: 0.05435514450073242 +elapsed time for k point: 0.05457282066345215 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -14554,7 +14573,7 @@ iteration 16: trace = 4.877776571705265 (7.49469e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.497098, 0.578181, 0.578182, 0.668913, 0.878731, 0.883217, 0.88322, 1.08735 -elapsed time for k point: 0.05415034294128418 +elapsed time for k point: 0.0545501708984375 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -14591,7 +14610,7 @@ iteration 16: trace = 4.933541210214663 (4.67714e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.466856, 0.53849, 0.591576, 0.732347, 0.837964, 0.88299, 0.936299, 1.08665 -elapsed time for k point: 0.05417180061340332 +elapsed time for k point: 0.054551124572753906 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -14636,7 +14655,7 @@ iteration 20: trace = 5.086788979299679 (3.46416e-11% change) Finished solving for bands 1 to 8 after 20 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.365915, 0.534301, 0.628951, 0.8052, 0.817085, 0.882667, 1.0025, 1.08247 -elapsed time for k point: 0.06726360321044922 +elapsed time for k point: 0.06804299354553223 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -14691,7 +14710,7 @@ iteration 25: trace = 5.263256512288837 (3.40876e-11% change) Finished solving for bands 1 to 8 after 25 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.247333, 0.542781, 0.682198, 0.781369, 0.883491, 0.892769, 1.05714, 1.06602 -elapsed time for k point: 0.0829768180847168 +elapsed time for k point: 0.08409810066223145 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -14750,7 +14769,7 @@ iteration 27: trace = 5.362887848881172 (8.62858e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.124412, 0.55106, 0.736012, 0.76647, 0.888039, 0.959199, 1.0268, 1.07311 -elapsed time for k point: 0.09019041061401367 +elapsed time for k point: 0.09106016159057617 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -14828,7 +14847,7 @@ iteration 36: trace = 5.414470666066693 (4.41918e-11% change) Finished solving for bands 2 to 8 after 36 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.554399, 0.761333, 0.761334, 0.894089, 0.998343, 0.998344, 1.07475 -F.elapsed time for k point: 0.09710049629211426 +F.elapsed time for k point: 0.09975361824035645 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4970977843772992 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.44028964105059654 at Vector3<0.5, 0.0, 0.0> to 0.5781812856814894 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5781815082009817 at Vector3<0.5, 0.5, 0.0> to 0.7613327775255618 at Vector3<0.0, 0.0, 0.0> @@ -14840,15 +14859,15 @@ Gap from band 2 (0.5781812856814894) to band 3 (0.5781815082009817), 3.848610374769843e-05% Gap from band 4 (0.8051999839699239) to band 5 (0.8170847453549143), 1.4651880980149015% Gap from band 7 (1.0580309832489807) to band 8 (1.0660233597945281), 0.7525585747580559% -total elapsed time for run: 1.2791075706481934 +total elapsed time for run: 1.2981312274932861 done -/tmp/meepZVgGID/test_epsilon_input_file-0: 1.28s +/tmp/meepWDyqgO/test_epsilon_input_file-0: 1.30s -/tmp/meepZVgGID/test_first_brillouin_zone-0 +/tmp/meepWDyqgO/test_first_brillouin_zone-0 ======================== -/tmp/meepZVgGID/test_first_brillouin_zone-0: 0.11s +/tmp/meepWDyqgO/test_first_brillouin_zone-0: 0.11s -/tmp/meepZVgGID/test_fractional_lattice-0 +/tmp/meepWDyqgO/test_fractional_lattice-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -14891,7 +14910,7 @@ 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: 0.00020623207092285156 +elapsed time for initialization: 0.0002105236053466797 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... @@ -14900,148 +14919,145 @@ linmin: converged after 7 iterations. iteration 2: trace = 83.8504910917422 (11.9223% change) linmin: converged after 5 iterations. - switching to approximate line minimization (decrease time by 51.5873%) + switching to approximate line minimization (decrease time by 56.8627%) iteration 3: trace = 83.3461110942816 (0.603338% change) iteration 4: trace = 83.3335997859713 (0.0150124% change) iteration 5: trace = 83.33333949085052 (0.000312354% change) - switching back to exact line minimization iteration 6: trace = 83.33333352466033 (7.15943e-06% change) - linmin: converged after 2 iterations. - iteration 7: trace = 83.3333333365711 (2.25707e-07% change) - linmin: converged after 2 iterations. - iteration 8: trace = 83.33333333338314 (3.82556e-09% change) - linmin: converged after 2 iterations. - iteration 9: trace = 83.33333333333428 (5.86283e-11% change) + iteration 7: trace = 83.33333333657092 (2.25707e-07% change) + iteration 8: trace = 83.33333333338274 (3.82581e-09% change) + switching back to exact line minimization + iteration 9: trace = 83.33333333333437 (5.80485e-11% change) Finished solving for bands 2 to 8 after 9 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 2.88675, 2.88675, 2.88675, 2.88675, 4.08248, 4.08248, 4.08248 -elapsed time for k point: 0.0011048316955566406 +elapsed time for k point: 0.0010137557983398438 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... - linmin: converged after 6 iterations. - iteration 1: trace = 82.33333333334653 (0.722248% change) + linmin: converged after 10 iterations. + iteration 1: trace = 82.33333333334654 (0.722248% change) linmin: converged after 2 iterations. - iteration 2: trace = 82.33333333333383 (1.54306e-11% change) + iteration 2: trace = 82.33333333333381 (1.54651e-11% change) Finished solving for bands 1 to 8 after 2 iterations. tefreqs:, 2, 0.1, 0, 0, 1, 0.288675, 2.59808, 2.90115, 2.90115, 3.17543, 3.88373, 3.88373, 4.29146 -elapsed time for k point: 0.0006358623504638672 +elapsed time for k point: 0.0006198883056640625 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. - iteration 1: trace = 82.66666666666671 (5.84479e-13% change) + iteration 1: trace = 82.66666666666671 (5.67288e-13% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 3, 0.2, 0, 0, 2, 0.57735, 2.3094, 2.94392, 2.94392, 3.4641, 3.69685, 3.69685, 4.50925 -elapsed time for k point: 0.0001575946807861328 +elapsed time for k point: 0.00015974044799804688 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. - iteration 1: trace = 84.33333333333334 (6.74033e-14% change) + iteration 1: trace = 84.33333333333334 (3.37016e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 4, 0.3, 0, 0, 3, 0.866025, 2.02073, 3.01386, 3.01386, 3.52373, 3.52373, 3.75278, 4.73462 -elapsed time for k point: 0.00015425682067871094 +elapsed time for k point: 0.0001633167266845703 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... - linmin: converged after 46 iterations. - iteration 1: trace = 87.33333333333334 (1.6272e-14% change) + linmin: converged after 6 iterations. + switching to approximate line minimization (decrease time by 68.0851%) + iteration 1: trace = 87.33333333333333 (0% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 5, 0.4, 0, 0, 4, 1.1547, 1.73205, 3.10913, 3.10913, 3.3665, 3.3665, 4.04145, 4.96655 -elapsed time for k point: 0.00037384033203125 +elapsed time for k point: 0.000209808349609375 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... - linmin: converged after 52 iterations. - iteration 1: trace = 91.66666666666667 (1.55028e-14% change) + linmin: converged after 1 iterations. + iteration 1: trace = 91.66666666666669 (0% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 6, 0.5, 0, 0, 5, 1.44338, 1.44338, 3.22749, 3.22749, 3.22749, 3.22749, 4.33013, 5.20416 -elapsed time for k point: 0.0003943443298339844 +elapsed time for k point: 0.00015592575073242188 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 64.1975%) - iteration 1: trace = 90.6666666668724 (3.571% change) - iteration 2: trace = 90.66666745919096 (8.73881e-07% change) - iteration 3: trace = 90.66666666666936 (8.74105e-07% change) - iteration 4: trace = 90.66666666666686 (2.75858e-12% change) + switching to approximate line minimization (decrease time by 64.6341%) + iteration 1: trace = 90.66666666676359 (3.571% change) + iteration 2: trace = 90.66666762987174 (1.06225e-06% change) + iteration 3: trace = 90.66666666666723 (1.06236e-06% change) + iteration 4: trace = 90.66666666666674 (5.32907e-13% change) Finished solving for bands 1 to 8 after 4 iterations. tefreqs:, 7, 0.5, 0.1, 0, 5.09902, 1.47196, 1.47196, 2.97209, 2.97209, 3.48807, 3.48807, 4.33974, 5.04975 -elapsed time for k point: 0.0003161430358886719 +elapsed time for k point: 0.0003185272216796875 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. - iteration 1: trace = 91.00000000000004 (1.7178e-13% change) + iteration 1: trace = 91.00000000000001 (7.80816e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 8, 0.5, 0.2, 0, 5.38516, 1.55456, 1.55456, 2.72336, 2.72336, 3.75278, 3.75278, 4.36845, 4.90748 -elapsed time for k point: 0.00015163421630859375 +elapsed time for k point: 0.0001571178436279297 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. - iteration 1: trace = 92.66666666666669 (3.06709e-14% change) + iteration 1: trace = 92.66666666666667 (1.53355e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 9, 0.5, 0.3, 0, 5.83095, 1.68325, 1.68325, 2.48328, 2.48328, 4.02078, 4.02078, 4.41588, 4.77842 -elapsed time for k point: 0.00014972686767578125 +elapsed time for k point: 0.0001513957977294922 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... - linmin: converged after 1 iterations. - iteration 1: trace = 95.66666666666667 (1.48546e-14% change) + linmin: converged after 46 iterations. + iteration 1: trace = 95.66666666666666 (0% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 10, 0.5, 0.4, 0, 6.40312, 1.84842, 1.84842, 2.25462, 2.25462, 4.29146, 4.29146, 4.48144, 4.66369 -elapsed time for k point: 0.0001518726348876953 +elapsed time for k point: 0.0003714561462402344 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... - linmin: converged after 5 iterations. - switching to approximate line minimization (decrease time by 52.3077%) + linmin: converged after 6 iterations. + switching to approximate line minimization (decrease time by 57.971%) 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: 0.0001659393310546875 +elapsed time for k point: 0.00017309188842773438 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... - linmin: converged after 57 iterations. - iteration 1: trace = 91.33333333333334 (1.55593e-14% change) + linmin: converged after 1 iterations. + iteration 1: trace = 91.33333333333334 (0% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 12, 0.4, 0.4, 0, 5.65685, 1.63299, 2.08167, 2.08167, 2.44949, 4.20317, 4.20317, 4.39697, 4.39697 -elapsed time for k point: 0.0004343986511230469 +elapsed time for k point: 0.00014853477478027344 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... - linmin: converged after 1 iterations. - iteration 1: trace = 85.33333333333334 (1.66533e-14% change) + linmin: converged after 46 iterations. + iteration 1: trace = 85.33333333333334 (0% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 13, 0.3, 0.3, 0, 4.24264, 1.22474, 2.19848, 2.19848, 2.85774, 3.85141, 3.85141, 4.26224, 4.26224 -elapsed time for k point: 0.0001518726348876953 +elapsed time for k point: 0.00036907196044921875 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... - linmin: converged after 32 iterations. + linmin: converged after 1 iterations. iteration 1: trace = 82 (0% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 14, 0.2, 0.2, 0, 2.82843, 0.816497, 2.38048, 2.38048, 3.26599, 3.51188, 3.51188, 4.16333, 4.16333 -elapsed time for k point: 0.0003368854522705078 +elapsed time for k point: 0.00014925003051757812 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... - linmin: converged after 4 iterations. - switching to approximate line minimization (decrease time by 50.8475%) - iteration 1: trace = 81.33333333333333 (0% change) + linmin: converged after 40 iterations. + iteration 1: trace = 81.33333333333334 (1.74724e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 15, 0.1, 0.1, 0, 1.41421, 0.408248, 2.61406, 2.61406, 3.18852, 3.18852, 3.67423, 4.10284, 4.10284 -elapsed time for k point: 0.00016880035400390625 +elapsed time for k point: 0.0003495216369628906 solve_kpoint (0,0,0): Solving for bands 2 to 8... - linmin: converged after 4 iterations. - iteration 1: trace = 83.33333333333333 (3.41061e-14% change) + linmin: converged after 33 iterations. + iteration 1: trace = 83.33333333333334 (0% change) Finished solving for bands 2 to 8 after 1 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 2.88675, 2.88675, 2.88675, 2.88675, 4.08248, 4.08248, 4.08248 -.elapsed time for k point: 0.00015044212341308594 +.elapsed time for k point: 0.0002808570861816406 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 2.041241452319313 at Vector3<0.5, 0.5, 0.0> -Band 2 range: 1.4433756729740659 at Vector3<0.5, 0.0, 0.0> to 2.886751345948141 at Vector3<0.0, 0.0, 0.0> -Band 3 range: 2.041241452319316 at Vector3<0.5, 0.5, 0.0> to 3.2274861218395126 at Vector3<0.5, 0.0, 0.0> -Band 4 range: 2.0412414523193183 at Vector3<0.5, 0.5, 0.0> to 3.265986323710905 at Vector3<0.19999999999999996, 0.19999999999999996, 0.0> -Band 5 range: 2.8867513459481313 at Vector3<0.0, 0.0, 0.0> to 4.564354645876383 at Vector3<0.5, 0.5, 0.0> -Band 6 range: 3.2274861218395174 at Vector3<0.5, 0.0, 0.0> to 4.564354645876384 at Vector3<0.5, 0.5, 0.0> -Band 7 range: 3.6968455021364712 at Vector3<0.2, 0.0, 0.0> to 4.564354645876386 at Vector3<0.5, 0.5, 0.0> -Band 8 range: 4.082482904638632 at Vector3<0.0, 0.0, 0.0> to 5.20416499866533 at Vector3<0.5, 0.0, 0.0> -total elapsed time for run: 0.005590677261352539 +Band 2 range: 1.443375672974069 at Vector3<0.5, 0.0, 0.0> to 2.886751345948136 at Vector3<0.0, 0.0, 0.0> +Band 3 range: 2.041241452319315 at Vector3<0.5, 0.5, 0.0> to 3.227486121839512 at Vector3<0.5, 0.0, 0.0> +Band 4 range: 2.041241452319317 at Vector3<0.5, 0.5, 0.0> to 3.265986323710903 at Vector3<0.19999999999999996, 0.19999999999999996, 0.0> +Band 5 range: 2.8867513459481304 at Vector3<0.0, 0.0, 0.0> to 4.564354645876378 at Vector3<0.5, 0.5, 0.0> +Band 6 range: 3.2274861218395166 at Vector3<0.5, 0.0, 0.0> to 4.564354645876382 at Vector3<0.5, 0.5, 0.0> +Band 7 range: 3.696845502136475 at Vector3<0.2, 0.0, 0.0> to 4.564354645876385 at Vector3<0.5, 0.5, 0.0> +Band 8 range: 4.082482904638633 at Vector3<0.0, 0.0, 0.0> to 5.204164998665331 at Vector3<0.5, 0.0, 0.0> +total elapsed time for run: 0.0053768157958984375 done -/tmp/meepZVgGID/test_fractional_lattice-0: 0.01s +/tmp/meepWDyqgO/test_fractional_lattice-0: 0.01s -/tmp/meepZVgGID/test_get_bfield-0 +/tmp/meepWDyqgO/test_get_bfield-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -15084,7 +15100,7 @@ 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: 0.0013234615325927734 +elapsed time for initialization: 0.001367807388305664 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... @@ -15195,7 +15211,7 @@ iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.13993501663208008 +elapsed time for k point: 0.14301133155822754 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -15446,7 +15462,7 @@ iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.3962984085083008 +elapsed time for k point: 0.4014892578125 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -15503,7 +15519,7 @@ iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.08770012855529785 +elapsed time for k point: 0.08777904510498047 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -15556,7 +15572,7 @@ iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.0802006721496582 +elapsed time for k point: 0.08136844635009766 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -15617,7 +15633,7 @@ iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.09267306327819824 +elapsed time for k point: 0.09348368644714355 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -15710,7 +15726,7 @@ iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.14467477798461914 +elapsed time for k point: 0.14617204666137695 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -15781,7 +15797,7 @@ iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.10966277122497559 +elapsed time for k point: 0.11045622825622559 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -15842,7 +15858,7 @@ iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.09328842163085938 +elapsed time for k point: 0.09412217140197754 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -15895,7 +15911,7 @@ iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.08022308349609375 +elapsed time for k point: 0.08070611953735352 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -15947,7 +15963,7 @@ iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.0769798755645752 +elapsed time for k point: 0.07766461372375488 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -15999,7 +16015,7 @@ iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.07710433006286621 +elapsed time for k point: 0.0773615837097168 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -16040,7 +16056,7 @@ iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.06054401397705078 +elapsed time for k point: 0.06145882606506348 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -16087,7 +16103,7 @@ iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.07059383392333984 +elapsed time for k point: 0.07120466232299805 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -16150,7 +16166,7 @@ iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.09665346145629883 +elapsed time for k point: 0.09777021408081055 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -16223,7 +16239,7 @@ iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.11288046836853027 +elapsed time for k point: 0.11380624771118164 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -16418,7 +16434,7 @@ iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.24737262725830078 +elapsed time for k point: 0.25371837615966797 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> @@ -16430,12 +16446,12 @@ Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% -total elapsed time for run: 1.969231367111206 +total elapsed time for run: 1.9941315650939941 done Fixing b-field (band 8) phase by -1 + 2.58922e-07i; max ampl. = 4.48388 -./tmp/meepZVgGID/test_get_bfield-0: 1.97s +./tmp/meepWDyqgO/test_get_bfield-0: 2.00s -/tmp/meepZVgGID/test_get_dfield-0 +/tmp/meepWDyqgO/test_get_dfield-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -16478,7 +16494,7 @@ 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: 0.0013320446014404297 +elapsed time for initialization: 0.0013446807861328125 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... @@ -16589,7 +16605,7 @@ iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.1393725872039795 +elapsed time for k point: 0.14277982711791992 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -16840,7 +16856,7 @@ iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.3951601982116699 +elapsed time for k point: 0.3999803066253662 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -16897,7 +16913,7 @@ iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.08691787719726562 +elapsed time for k point: 0.08791732788085938 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -16950,7 +16966,7 @@ iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.07991838455200195 +elapsed time for k point: 0.08101010322570801 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17011,7 +17027,7 @@ iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.09274601936340332 +elapsed time for k point: 0.09356999397277832 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17104,7 +17120,7 @@ iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.14514493942260742 +elapsed time for k point: 0.14546442031860352 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -17175,7 +17191,7 @@ iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.11034226417541504 +elapsed time for k point: 0.1107625961303711 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17236,7 +17252,7 @@ iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.09328770637512207 +elapsed time for k point: 0.09360146522521973 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17289,7 +17305,7 @@ iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.08040595054626465 +elapsed time for k point: 0.08077311515808105 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17341,7 +17357,7 @@ iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.07666563987731934 +elapsed time for k point: 0.0773622989654541 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17393,7 +17409,7 @@ iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.07671499252319336 +elapsed time for k point: 0.07724571228027344 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17434,7 +17450,7 @@ iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.060613155364990234 +elapsed time for k point: 0.06078076362609863 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17481,7 +17497,7 @@ iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.07037949562072754 +elapsed time for k point: 0.07087969779968262 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17544,7 +17560,7 @@ iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.09616732597351074 +elapsed time for k point: 0.09671783447265625 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17617,7 +17633,7 @@ iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.11256551742553711 +elapsed time for k point: 0.11290788650512695 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -17812,7 +17828,7 @@ iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.24748897552490234 +elapsed time for k point: 0.25266432762145996 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> @@ -17824,12 +17840,12 @@ Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% -total elapsed time for run: 1.9663610458374023 +total elapsed time for run: 1.986910104751587 done Fixing d-field (band 8) phase by 2.58922e-07 + 1i; max ampl. = 8.66842 -./tmp/meepZVgGID/test_get_dfield-0: 1.97s +./tmp/meepWDyqgO/test_get_dfield-0: 1.99s -/tmp/meepZVgGID/test_get_efield-0 +/tmp/meepWDyqgO/test_get_efield-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -17872,7 +17888,7 @@ 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: 0.0013802051544189453 +elapsed time for initialization: 0.0013632774353027344 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... @@ -17983,7 +17999,7 @@ iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.1394808292388916 +elapsed time for k point: 0.1422581672668457 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -18234,7 +18250,7 @@ iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.3955552577972412 +elapsed time for k point: 0.39631175994873047 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -18291,7 +18307,7 @@ iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.08749842643737793 +elapsed time for k point: 0.08760690689086914 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -18344,7 +18360,7 @@ iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.0800940990447998 +elapsed time for k point: 0.08088397979736328 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -18405,7 +18421,7 @@ iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.0928947925567627 +elapsed time for k point: 0.09376788139343262 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -18498,7 +18514,7 @@ iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.14457345008850098 +elapsed time for k point: 0.14595842361450195 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -18569,7 +18585,7 @@ iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.10963320732116699 +elapsed time for k point: 0.11124992370605469 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -18630,7 +18646,7 @@ iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.09290218353271484 +elapsed time for k point: 0.09410429000854492 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -18683,7 +18699,7 @@ iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.08025789260864258 +elapsed time for k point: 0.08094096183776855 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -18735,7 +18751,7 @@ iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.07683062553405762 +elapsed time for k point: 0.0775444507598877 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -18787,7 +18803,7 @@ iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.07666206359863281 +elapsed time for k point: 0.07736396789550781 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -18828,7 +18844,7 @@ iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.06068062782287598 +elapsed time for k point: 0.06113123893737793 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -18875,7 +18891,7 @@ iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.07082295417785645 +elapsed time for k point: 0.07095599174499512 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -18938,7 +18954,7 @@ iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.09612727165222168 +elapsed time for k point: 0.09678173065185547 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -19011,7 +19027,7 @@ iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.11330747604370117 +elapsed time for k point: 0.11341667175292969 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -19206,7 +19222,7 @@ iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.24758028984069824 +elapsed time for k point: 0.25307154655456543 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> @@ -19218,12 +19234,12 @@ Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% -total elapsed time for run: 1.9674153327941895 +total elapsed time for run: 1.985870361328125 done Fixing e-field (band 8) phase by 2.58922e-07 + 1i; max ampl. = 1.10099 -./tmp/meepZVgGID/test_get_efield-0: 1.97s +./tmp/meepWDyqgO/test_get_efield-0: 1.99s -/tmp/meepZVgGID/test_get_eigenvectors-0 +/tmp/meepWDyqgO/test_get_eigenvectors-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -19266,7 +19282,7 @@ 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: 0.001338958740234375 +elapsed time for initialization: 0.0013699531555175781 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... @@ -19377,7 +19393,7 @@ iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.13967132568359375 +elapsed time for k point: 0.14298748970031738 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 @@ -19636,7 +19652,7 @@ iteration 121: trace = 5.540497242579402 (3.79446e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.3970043659210205 +elapsed time for k point: 0.39897823333740234 Fixing h-field (band 1) phase by -1 + 2.59125e-07i; max ampl. = 1.02721 Fixing h-field (band 2) phase by -0.999999 + 0.00113246i; max ampl. = 5.09036 Fixing h-field (band 3) phase by 0.000421577 + -1i; max ampl. = 3.73536 @@ -19701,7 +19717,7 @@ iteration 26: trace = 5.499374946276071 (6.76223e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.0869438648223877 +elapsed time for k point: 0.08687210083007812 Fixing h-field (band 1) phase by 1 + -4.11365e-12i; max ampl. = 1.11365 Fixing h-field (band 2) phase by -1 + 5.201e-09i; max ampl. = 4.92243 Fixing h-field (band 3) phase by -1.10219e-09 + 1i; max ampl. = 2.65638 @@ -19762,7 +19778,7 @@ iteration 24: trace = 5.485459080087866 (6.13982e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.08020162582397461 +elapsed time for k point: 0.08052444458007812 Fixing h-field (band 1) phase by 1 + 7.44546e-16i; max ampl. = 1.27437 Fixing h-field (band 2) phase by -1 + -1.25145e-13i; max ampl. = 4.45322 Fixing h-field (band 3) phase by 1 + 2.75073e-13i; max ampl. = 2.62315 @@ -19831,7 +19847,7 @@ 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: 0.09360814094543457 +elapsed time for k point: 0.09352707862854004 Fixing h-field (band 1) phase by 1 + 9.1952e-18i; max ampl. = 1.5052 Fixing h-field (band 2) phase by -1 + -1.24699e-14i; max ampl. = 3.59052 Fixing h-field (band 3) phase by -1 + 4.89889e-15i; max ampl. = 3.69829 @@ -19932,7 +19948,7 @@ iteration 44: trace = 5.538866868553962 (9.68056e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.14480948448181152 +elapsed time for k point: 0.14517664909362793 Fixing h-field (band 1) phase by 1 + -8.3688e-17i; max ampl. = 1.38878 Fixing h-field (band 2) phase by 1 + 2.73398e-18i; max ampl. = 3.48407 Fixing h-field (band 3) phase by 1 + 2.92499e-15i; max ampl. = 4.1103 @@ -20011,7 +20027,7 @@ iteration 33: trace = 5.419797732958387 (9.11646e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.10941553115844727 +elapsed time for k point: 0.1100625991821289 Fixing h-field (band 1) phase by 1 + -2.73517e-16i; max ampl. = 1.39153 Fixing h-field (band 2) phase by -1 + -6.3175e-13i; max ampl. = 3.54504 Fixing h-field (band 3) phase by 1 + 2.50805e-13i; max ampl. = 3.95334 @@ -20080,7 +20096,7 @@ iteration 28: trace = 5.240853948733923 (3.68432e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.09338116645812988 +elapsed time for k point: 0.09388518333435059 Fixing h-field (band 1) phase by 1 + 5.7372e-16i; max ampl. = 1.40192 Fixing h-field (band 2) phase by -1 + 9.3105e-13i; max ampl. = 3.73151 Fixing h-field (band 3) phase by 1 + 6.29261e-13i; max ampl. = 3.50756 @@ -20141,7 +20157,7 @@ iteration 24: trace = 5.096544273410623 (7.59995e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.08048868179321289 +elapsed time for k point: 0.08121562004089355 Fixing h-field (band 1) phase by -1 + 7.04169e-13i; max ampl. = 4.05119 Fixing h-field (band 2) phase by 1 + -1.57493e-15i; max ampl. = 1.42991 Fixing h-field (band 3) phase by -1 + -8.3309e-13i; max ampl. = 2.78416 @@ -20201,7 +20217,7 @@ iteration 23: trace = 5.006436496341392 (6.08507e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.07735395431518555 +elapsed time for k point: 0.07756829261779785 Fixing h-field (band 1) phase by 1 + -1.79442e-16i; max ampl. = 4.46619 Fixing h-field (band 2) phase by 1 + -4.56205e-12i; max ampl. = 1.51506 Fixing h-field (band 3) phase by 1 + 9.55568e-16i; max ampl. = 1.66014 @@ -20261,7 +20277,7 @@ iteration 23: trace = 4.975984265381781 (5.45653e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.07726359367370605 +elapsed time for k point: 0.0772085189819336 Fixing h-field (band 1) phase by 1 + -1.87958e-17i; max ampl. = 4.70977 Fixing h-field (band 2) phase by 1 + 3.02546e-13i; max ampl. = 1.38038 Fixing h-field (band 3) phase by -3.01376e-13 + 1i; max ampl. = 1.85505 @@ -20310,7 +20326,7 @@ iteration 18: trace = 5.036378479895266 (5.46517e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.06071281433105469 +elapsed time for k point: 0.06105184555053711 Fixing h-field (band 1) phase by 1 + -4.27711e-17i; max ampl. = 3.59873 Fixing h-field (band 2) phase by 1 + -1.20874e-16i; max ampl. = 3.10702 Fixing h-field (band 3) phase by -8.38065e-10 + -1i; max ampl. = 1.92561 @@ -20365,7 +20381,7 @@ iteration 21: trace = 5.206566305891688 (3.92353e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.07058191299438477 +elapsed time for k point: 0.070953369140625 Fixing h-field (band 1) phase by 1 + 1.28137e-17i; max ampl. = 1.81199 Fixing h-field (band 2) phase by -1 + 5.34357e-16i; max ampl. = 4.51433 Fixing h-field (band 3) phase by -5.2077e-10 + 1i; max ampl. = 2.16532 @@ -20436,7 +20452,7 @@ iteration 29: trace = 5.417088766409225 (6.16157e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.09635353088378906 +elapsed time for k point: 0.09726810455322266 Fixing h-field (band 1) phase by 1 + 1.45835e-16i; max ampl. = 1.2604 Fixing h-field (band 2) phase by -1 + -3.55376e-15i; max ampl. = 4.86397 Fixing h-field (band 3) phase by -7.62302e-11 + 1i; max ampl. = 2.6696 @@ -20517,7 +20533,7 @@ iteration 34: trace = 5.522267645664741 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.11306571960449219 +elapsed time for k point: 0.11373233795166016 Fixing h-field (band 1) phase by 1 + -6.59241e-17i; max ampl. = 1.05606 Fixing h-field (band 2) phase by -1 + 2.71862e-15i; max ampl. = 5.06002 Fixing h-field (band 3) phase by 2.63682e-10 + 1i; max ampl. = 3.59476 @@ -20720,7 +20736,7 @@ iteration 93: trace = 5.548117725324982 (3.6996e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.2475900650024414 +elapsed time for k point: 0.2530403137207031 Fixing h-field (band 1) phase by 1 + -0i; max ampl. = 1 Fixing h-field (band 2) phase by 1 + -2.32469e-14i; max ampl. = 5.12967 Fixing h-field (band 3) phase by -3.17397e-12 + 1i; max ampl. = 4.27896 @@ -20740,11 +20756,11 @@ Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677085) to band 5 (0.8241814443502149), 1.7739824912428712% Gap from band 7 (1.086072932359415) to band 8 (1.0878689635052698), 0.16523267243447132% -total elapsed time for run: 1.9823548793792725 +total elapsed time for run: 1.9987013339996338 done -/tmp/meepZVgGID/test_get_eigenvectors-0: 2.01s +/tmp/meepWDyqgO/test_get_eigenvectors-0: 2.02s -/tmp/meepZVgGID/test_get_hfield-0 +/tmp/meepWDyqgO/test_get_hfield-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -20787,7 +20803,7 @@ 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: 0.005455493927001953 +elapsed time for initialization: 0.0013837814331054688 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... @@ -20898,7 +20914,7 @@ iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.20206713676452637 +elapsed time for k point: 0.14288997650146484 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -21149,7 +21165,7 @@ iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.39566612243652344 +elapsed time for k point: 0.3993501663208008 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21206,7 +21222,7 @@ iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.08748078346252441 +elapsed time for k point: 0.0865030288696289 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21259,7 +21275,7 @@ iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.08036017417907715 +elapsed time for k point: 0.0797274112701416 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21320,7 +21336,7 @@ iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.09311890602111816 +elapsed time for k point: 0.09180021286010742 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21413,7 +21429,7 @@ iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.14574384689331055 +elapsed time for k point: 0.14299988746643066 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -21484,7 +21500,7 @@ iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.11018228530883789 +elapsed time for k point: 0.10882568359375 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21545,7 +21561,7 @@ iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.09338831901550293 +elapsed time for k point: 0.0919499397277832 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21598,7 +21614,7 @@ iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.08069968223571777 +elapsed time for k point: 0.0791616439819336 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21650,7 +21666,7 @@ iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.07708096504211426 +elapsed time for k point: 0.07583332061767578 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21702,7 +21718,7 @@ iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.07708001136779785 +elapsed time for k point: 0.07566714286804199 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21743,7 +21759,7 @@ iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.06070065498352051 +elapsed time for k point: 0.0598142147064209 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21790,7 +21806,7 @@ iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.07064056396484375 +elapsed time for k point: 0.06979584693908691 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21853,7 +21869,7 @@ iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.09673810005187988 +elapsed time for k point: 0.09544658660888672 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21926,7 +21942,7 @@ iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.1952965259552002 +elapsed time for k point: 0.11153960227966309 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -22121,7 +22137,7 @@ iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.45359277725219727 +elapsed time for k point: 0.2501213550567627 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> @@ -22133,12 +22149,12 @@ Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% -total elapsed time for run: 2.326465606689453 +total elapsed time for run: 1.9639053344726562 done Fixing h-field (band 8) phase by -1 + 2.58922e-07i; max ampl. = 4.48388 -./tmp/meepZVgGID/test_get_hfield-0: 2.33s +./tmp/meepWDyqgO/test_get_hfield-0: 1.97s -/tmp/meepZVgGID/test_handle_cvector-0 +/tmp/meepWDyqgO/test_handle_cvector-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -22181,7 +22197,7 @@ 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: 0.0014357566833496094 +elapsed time for initialization: 0.0014505386352539062 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... @@ -22236,7 +22252,7 @@ iteration 24: trace = 4.577894626572792 (4.43323e-11% change) Finished solving for bands 2 to 8 after 24 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832 -elapsed time for k point: 0.09057092666625977 +elapsed time for k point: 0.06588077545166016 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -22277,7 +22293,7 @@ iteration 18: trace = 4.546667003404457 (4.25075e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tmfreqs:, 2, 0, 0.1, 0, 0.11547, 0.0711319, 0.538981, 0.559429, 0.617095, 0.834123, 0.839462, 0.988272, 1.08637 -elapsed time for k point: 0.060610294342041016 +elapsed time for k point: 0.05991077423095703 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22312,7 +22328,7 @@ iteration 15: trace = 4.456771796562712 (4.07144e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 3, 0, 0.2, 0, 0.23094, 0.138898, 0.508574, 0.556587, 0.65398, 0.825087, 0.84452, 0.968999, 1.05281 -elapsed time for k point: 0.05092573165893555 +elapsed time for k point: 0.05047416687011719 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22345,7 +22361,7 @@ iteration 14: trace = 4.364565233298253 (3.14811e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 4, 0, 0.3, 0, 0.34641, 0.198939, 0.479631, 0.553145, 0.693119, 0.813353, 0.850964, 0.932869, 1.02598 -elapsed time for k point: 0.04818367958068848 +elapsed time for k point: 0.047333478927612305 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22376,7 +22392,7 @@ iteration 13: trace = 4.304069964437598 (7.1957e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0, 0.4, 0, 0.46188, 0.244064, 0.4557, 0.550414, 0.730028, 0.80289, 0.856372, 0.891379, 1.01409 -elapsed time for k point: 0.0444338321685791 +elapsed time for k point: 0.04423928260803223 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22407,7 +22423,7 @@ iteration 13: trace = 4.283477065616427 (4.15529e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 6, 0, 0.5, 0, 0.57735, 0.262015, 0.445331, 0.549383, 0.749186, 0.797864, 0.85849, 0.870609, 1.01087 -elapsed time for k point: 0.044411420822143555 +elapsed time for k point: 0.044220685958862305 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22436,7 +22452,7 @@ iteration 12: trace = 4.264474631199773 (8.73084e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.262984, 0.4475, 0.545804, 0.752448, 0.797093, 0.860461, 0.870245, 0.99895 -elapsed time for k point: 0.04144692420959473 +elapsed time for k point: 0.04102683067321777 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22465,7 +22481,7 @@ iteration 12: trace = 4.228595652264469 (8.10758e-12% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.265671, 0.453801, 0.535912, 0.761319, 0.795166, 0.866056, 0.869135, 0.973413 -elapsed time for k point: 0.04133176803588867 +elapsed time for k point: 0.04114246368408203 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22490,7 +22506,7 @@ iteration 10: trace = 4.19657782122971 (9.14088e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.269404, 0.463648, 0.52172, 0.773443, 0.792931, 0.867201, 0.874681, 0.94487 -elapsed time for k point: 0.034931182861328125 +elapsed time for k point: 0.034505605697631836 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22515,7 +22531,7 @@ iteration 10: trace = 4.175651761333511 (5.29421e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.273, 0.476141, 0.505606, 0.78524, 0.791235, 0.864672, 0.885801, 0.918597 -elapsed time for k point: 0.03509521484375 +elapsed time for k point: 0.03468823432922363 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -22538,7 +22554,7 @@ iteration 9: trace = 4.168411689609142 (8.90435e-11% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.27469, 0.489984, 0.490239, 0.79072, 0.790832, 0.863041, 0.899109, 0.89925 -elapsed time for k point: 0.03148508071899414 +elapsed time for k point: 0.031256675720214844 Fixing e-field (band 1) phase by -1 + 4.11973e-08i; max ampl. = 0.93911 Fixing e-field (band 2) phase by -4.11973e-08 + -1i; max ampl. = 1.08316 Fixing e-field (band 3) phase by 1 + -4.11973e-08i; max ampl. = 0.877953 @@ -22573,7 +22589,7 @@ iteration 11: trace = 4.1978540503093 (1.33083e-11% change) Finished solving for bands 1 to 8 after 11 iterations. tmfreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.2632, 0.47091, 0.51804, 0.764413, 0.795091, 0.864427, 0.896871, 0.932925 -elapsed time for k point: 0.03828716278076172 +elapsed time for k point: 0.0377802848815918 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22602,7 +22618,7 @@ iteration 12: trace = 4.283266488990683 (1.10938e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 13, -0.2, 0.2, 0, 0.4, 0.222593, 0.476537, 0.539917, 0.715636, 0.806516, 0.856013, 0.929969, 0.977199 -elapsed time for k point: 0.04149889945983887 +elapsed time for k point: 0.04108381271362305 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -22633,7 +22649,7 @@ iteration 13: trace = 4.410102274545237 (2.53155e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.15856, 0.501245, 0.552927, 0.666818, 0.82116, 0.846938, 0.963589, 1.03113 -elapsed time for k point: 0.04441952705383301 +elapsed time for k point: 0.04440045356750488 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22672,7 +22688,7 @@ iteration 17: trace = 4.5345176227572 (7.85245e-11% change) Finished solving for bands 1 to 8 after 17 iterations. tmfreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0819275, 0.534465, 0.558896, 0.622523, 0.832982, 0.840137, 0.98638, 1.08149 -elapsed time for k point: 0.057505130767822266 +elapsed time for k point: 0.05732583999633789 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. @@ -22709,7 +22725,7 @@ iteration 16: trace = 4.577894626572483 (2.56293e-11% change) Finished solving for bands 2 to 8 after 16 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832 -elapsed time for k point: 0.0446324348449707 +elapsed time for k point: 0.044928789138793945 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2746902258623627 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.44533108084715767 at Vector3<0.0, 0.5, 0.0> to 0.5605181423162842 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.4902389149027673 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.5605607947797742 at Vector3<0.0, 0.0, 0.0> @@ -22723,7 +22739,7 @@ Gap from band 4 (0.7907195974443695) to band 5 (0.7908320763327581), 0.014223865113428144% Gap from band 5 (0.837451116753757) to band 6 (0.8375948528443267), 0.01716204727254158% Gap from band 6 (0.8672009264903464) to band 7 (0.8691349955739203), 0.22277591092793939% -total elapsed time for run: 0.754270076751709 +total elapsed time for run: 0.7245814800262451 done Read lattice vectors Read Bloch wavevector (-0.333333, 0.333333, 0) @@ -22741,9 +22757,9 @@ imag part range: 0 .. 0 real part range: -1.03932 .. 1.03493 imag part range: -1.08496 .. 1.08496 -./tmp/meepZVgGID/test_handle_cvector-0: 0.78s +./tmp/meepWDyqgO/test_handle_cvector-0: 0.75s -/tmp/meepZVgGID/test_hermitian_eps-0 +/tmp/meepWDyqgO/test_hermitian_eps-0 ======================== Initializing eigensolver data Computing 10 bands with 1e-12 tolerance @@ -22781,7 +22797,7 @@ 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: 0.0016150474548339844 +elapsed time for initialization: 0.0017497539520263672 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... @@ -27347,7 +27363,7 @@ iteration 2030: trace = 2.393039434225272 (7.40075e-11% change) Finished solving for bands 2 to 10 after 2030 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.265885, 0.356852, 0.36899, 0.503897, 0.506552, 0.539911, 0.635681, 0.645852, 0.660016 -elapsed time for k point: 14.734794855117798 +elapsed time for k point: 15.046491384506226 solve_kpoint (0.166667,0,0): Solving for bands 1 to 10... linmin: converged after 5 iterations. @@ -30592,7 +30608,7 @@ iteration 1433: trace = 2.412629746890513 (6.19207e-11% change) Finished solving for bands 1 to 10 after 1433 iterations. tmfreqs:, 2, 0.166667, 0, 0, 0.166667, 0.123306, 0.278292, 0.357366, 0.369461, 0.503797, 0.506642, 0.538217, 0.63557, 0.645595, 0.659431 -elapsed time for k point: 12.22798776626587 +elapsed time for k point: 12.58051347732544 solve_kpoint (0.333333,0,0): Solving for bands 1 to 10... linmin: converged after 4 iterations. @@ -33789,7 +33805,7 @@ iteration 1428: trace = 2.451789422816662 (7.25058e-11% change) Finished solving for bands 1 to 10 after 1428 iterations. tmfreqs:, 3, 0.333333, 0, 0, 0.333333, 0.194655, 0.331458, 0.361679, 0.377947, 0.502693, 0.506755, 0.527227, 0.633335, 0.644215, 0.653287 -elapsed time for k point: 12.49690556526184 +elapsed time for k point: 12.377958536148071 solve_kpoint (0.5,0,0): Solving for bands 1 to 10... linmin: converged after 4 iterations. @@ -36601,7 +36617,7 @@ iteration 1256: trace = 2.449292757899889 (8.6976e-11% change) Finished solving for bands 1 to 10 after 1256 iterations. tmfreqs:, 4, 0.5, 0, 0, 0.5, 0.208799, 0.348978, 0.365278, 0.443856, 0.477901, 0.506845, 0.509076, 0.617527, 0.63971, 0.64689 -elapsed time for k point: 10.96121335029602 +elapsed time for k point: 11.048242568969727 solve_kpoint (0.5,0.166667,0): Solving for bands 1 to 10... linmin: converged after 4 iterations. @@ -38911,7 +38927,7 @@ iteration 1019: trace = 2.485865194954441 (8.38206e-11% change) Finished solving for bands 1 to 10 after 1019 iterations. tmfreqs:, 5, 0.5, 0.166667, 0, 0.527046, 0.210673, 0.351103, 0.364915, 0.453355, 0.500502, 0.507018, 0.510125, 0.616821, 0.642478, 0.646894 -elapsed time for k point: 9.179323434829712 +elapsed time for k point: 8.941755056381226 solve_kpoint (0.5,0.333333,0): Solving for bands 1 to 10... linmin: converged after 6 iterations. @@ -40463,7 +40479,7 @@ iteration 690: trace = 2.578881665319939 (9.58133e-11% change) Finished solving for bands 1 to 10 after 690 iterations. tmfreqs:, 6, 0.5, 0.333333, 0, 0.600925, 0.214081, 0.353217, 0.365001, 0.471977, 0.507165, 0.51079, 0.563894, 0.615052, 0.646178, 0.648357 -elapsed time for k point: 5.849073648452759 +elapsed time for k point: 6.004692077636719 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 10... linmin: converged after 5 iterations. @@ -41568,7 +41584,7 @@ iteration 487: trace = 2.65386095711466 (8.93747e-11% change) Finished solving for bands 1 to 10 after 487 iterations. tmfreqs:, 7, 0.5, 0.5, 0, 0.707107, 0.215649, 0.353602, 0.365269, 0.480748, 0.507335, 0.512534, 0.60792, 0.619784, 0.648908, 0.650323 -elapsed time for k point: 4.132635831832886 +elapsed time for k point: 4.198547601699829 solve_kpoint (0.333333,0.333333,0): Solving for bands 1 to 10... linmin: converged after 5 iterations. @@ -42998,7 +43014,7 @@ iteration 627: trace = 2.532226604633134 (7.77087e-11% change) Finished solving for bands 1 to 10 after 627 iterations. tmfreqs:, 8, 0.333333, 0.333333, 0, 0.471405, 0.210879, 0.35463, 0.361245, 0.439486, 0.507022, 0.508252, 0.543815, 0.620599, 0.646589, 0.651154 -elapsed time for k point: 5.29407811164856 +elapsed time for k point: 5.37522554397583 solve_kpoint (0.166667,0.166667,0): Solving for bands 1 to 10... linmin: converged after 5 iterations. @@ -44959,7 +44975,7 @@ iteration 866: trace = 2.429159854377398 (7.48266e-11% change) Finished solving for bands 1 to 10 after 866 iterations. tmfreqs:, 9, 0.166667, 0.166667, 0, 0.235702, 0.162353, 0.295874, 0.356214, 0.372161, 0.504258, 0.506735, 0.537355, 0.633231, 0.645916, 0.65717 -elapsed time for k point: 9.197073459625244 +elapsed time for k point: 7.386997699737549 solve_kpoint (0,0,0): Solving for bands 2 to 10... linmin: converged after 4 iterations. @@ -46405,7 +46421,7 @@ iteration 641: trace = 2.393039431913088 (6.48029e-11% change) Finished solving for bands 2 to 10 after 641 iterations. tmfreqs:, 10, 0, 0, 0, 0, 0, 0.265885, 0.356852, 0.36899, 0.503897, 0.506552, 0.539911, 0.635681, 0.645852, 0.660016 -.elapsed time for k point: 4.839766502380371 +.elapsed time for k point: 4.672750949859619 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2156485263339956 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.2658849785678317 at Vector3<0.0, 0.0, 0.0> to 0.3546302405484167 at Vector3<0.33333333333333337, 0.33333333333333337, 0.0> Band 3 range: 0.35621423559129134 at Vector3<0.16666666666666669, 0.16666666666666669, 0.0> to 0.36527833517839886 at Vector3<0.5, 0.0, 0.0> @@ -46421,11 +46437,11 @@ Gap from band 3 (0.36527833517839886) to band 4 (0.36899013666801306), 1.0110202553789074% Gap from band 7 (0.6079200818300042) to band 8 (0.6150518764785363), 1.1663055068565722% Gap from band 8 (0.63568078470799) to band 9 (0.6397097609337264), 0.6318027430114279% -total elapsed time for run: 88.91526174545288 +total elapsed time for run: 87.63574385643005 done -/tmp/meepZVgGID/test_hermitian_eps-0: 88.92s +/tmp/meepWDyqgO/test_hermitian_eps-0: 87.64s -/tmp/meepZVgGID/test_hole_slab-0 +/tmp/meepWDyqgO/test_hole_slab-0 ======================== Initializing eigensolver data Computing 9 bands with 1e-12 tolerance @@ -46459,7 +46475,7 @@ Initializing fields to random numbers... 1 k-points Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> -elapsed time for initialization: 0.11497163772583008 +elapsed time for initialization: 0.10623979568481445 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... @@ -46528,17 +46544,17 @@ iteration 31: trace = 2.187958069704355 (9.20265e-11% change) Finished solving for bands 1 to 9 after 31 iterations. zevenfreqs:, 1, -0.333333, 0.333333, 0, 0.666667, 0.265718, 0.356033, 0.35608, 0.513443, 0.529044, 0.529286, 0.586884, 0.587044, 0.59253 -elapsed time for k point: 16.7984721660614 -total elapsed time for run: 16.913532972335815 +elapsed time for k point: 17.018131017684937 +total elapsed time for run: 17.124462127685547 done Fixing h-field (band 9) phase by 0.0246538 + 0.999696i; max ampl. = 2.37913 -FOutputting fields to /tmp/meepZVgGID/test_hole_slab-0-h.k01.b09.z.zeven.h5... +FOutputting fields to /tmp/meepWDyqgO/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 = 0.5455978378172843 s -/tmp/meepZVgGID/test_hole_slab-0: 16.94s +mean time per iteration = 0.5524020041188886 s +/tmp/meepWDyqgO/test_hole_slab-0: 17.15s -/tmp/meepZVgGID/test_honey_rods-0 +/tmp/meepWDyqgO/test_honey_rods-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -46583,7 +46599,7 @@ 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: 0.0015559196472167969 +elapsed time for initialization: 0.0014929771423339844 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... @@ -46669,7 +46685,7 @@ iteration 38: trace = 4.384870359114471 (2.59878e-11% change) Finished solving for bands 2 to 8 after 38 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.429848, 0.72559, 0.725871, 0.769398, 0.785279, 0.785658, 1.14928 -elapsed time for k point: 0.10302352905273438 +elapsed time for k point: 0.10464310646057129 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -46743,7 +46759,7 @@ iteration 34: trace = 4.363900038828961 (4.25985e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tmfreqs:, 2, 0, 0.1, 0, 0.11547, 0.0718091, 0.426256, 0.719077, 0.721195, 0.746706, 0.789405, 0.817423, 1.1362 -elapsed time for k point: 0.11171698570251465 +elapsed time for k point: 0.11435747146606445 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -46782,7 +46798,7 @@ iteration 17: trace = 4.325994457593159 (2.54382e-11% change) Finished solving for bands 1 to 8 after 17 iterations. tmfreqs:, 3, 0, 0.2, 0, 0.23094, 0.141741, 0.415465, 0.686677, 0.711385, 0.749716, 0.79757, 0.853936, 1.10829 -elapsed time for k point: 0.057051658630371094 +elapsed time for k point: 0.05824613571166992 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -46819,7 +46835,7 @@ iteration 16: trace = 4.298080976434065 (6.73664e-12% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 4, 0, 0.3, 0, 0.34641, 0.20751, 0.397084, 0.652562, 0.701411, 0.762486, 0.805503, 0.884623, 1.08016 -elapsed time for k point: 0.053656578063964844 +elapsed time for k point: 0.055032968521118164 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -46854,7 +46870,7 @@ iteration 15: trace = 4.286087121421341 (1.84429e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 5, 0, 0.4, 0, 0.46188, 0.265341, 0.370741, 0.628064, 0.694375, 0.774438, 0.810881, 0.90516, 1.06067 -elapsed time for k point: 0.05042457580566406 +elapsed time for k point: 0.05178689956665039 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -46885,7 +46901,7 @@ iteration 13: trace = 4.283886820302828 (6.59102e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 6, 0, 0.5, 0, 0.57735, 0.29861, 0.348622, 0.619112, 0.691863, 0.779379, 0.812758, 0.912256, 1.05404 -elapsed time for k point: 0.04418778419494629 +elapsed time for k point: 0.044962167739868164 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -46914,7 +46930,7 @@ iteration 12: trace = 4.287889499871681 (9.82656e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.300268, 0.34895, 0.613584, 0.697444, 0.77731, 0.813624, 0.911843, 1.05612 -elapsed time for k point: 0.04074358940124512 +elapsed time for k point: 0.04186725616455078 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -46947,7 +46963,7 @@ iteration 14: trace = 4.29990477093923 (1.59463e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.305133, 0.349455, 0.601266, 0.710158, 0.771875, 0.815569, 0.910763, 1.06226 -elapsed time for k point: 0.04773116111755371 +elapsed time for k point: 0.04830312728881836 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -46980,7 +46996,7 @@ iteration 14: trace = 4.319879224622897 (9.3837e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.312896, 0.348732, 0.588291, 0.724572, 0.764453, 0.817539, 0.909459, 1.0721 -elapsed time for k point: 0.04715323448181152 +elapsed time for k point: 0.048343658447265625 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -47017,7 +47033,7 @@ iteration 16: trace = 4.3474822862955 (4.94399e-12% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.323089, 0.344682, 0.578717, 0.737675, 0.756131, 0.818898, 0.9085, 1.08513 -elapsed time for k point: 0.05355691909790039 +elapsed time for k point: 0.05498170852661133 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -47082,7 +47098,7 @@ iteration 28: trace = 4.381215657475532 (1.29946e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tmfreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.335117, 0.335185, 0.575171, 0.747622, 0.747877, 0.819365, 0.908267, 1.10053 -elapsed time for k point: 0.09193205833435059 +elapsed time for k point: 0.09423828125 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -47117,7 +47133,7 @@ iteration 15: trace = 4.322737319376866 (1.86358e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.29626, 0.362261, 0.589196, 0.732899, 0.756464, 0.817346, 0.906977, 1.07543 -elapsed time for k point: 0.0504603385925293 +elapsed time for k point: 0.05152559280395508 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -47148,7 +47164,7 @@ iteration 13: trace = 4.300851491405948 (6.13341e-12% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 13, -0.2, 0.2, 0, 0.4, 0.235812, 0.389044, 0.624419, 0.723246, 0.753158, 0.811064, 0.894195, 1.07529 -elapsed time for k point: 0.043892621994018555 +elapsed time for k point: 0.04462838172912598 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -47179,7 +47195,7 @@ iteration 13: trace = 4.317112896788793 (5.01786e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.162664, 0.41101, 0.66948, 0.720558, 0.745707, 0.801251, 0.86394, 1.09993 -elapsed time for k point: 0.0439305305480957 +elapsed time for k point: 0.044840335845947266 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -47216,7 +47232,7 @@ iteration 16: trace = 4.358297516212385 (8.24739e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0828005, 0.425068, 0.71283, 0.723369, 0.744337, 0.790724, 0.823156, 1.13248 -elapsed time for k point: 0.05363011360168457 +elapsed time for k point: 0.05494356155395508 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -47417,7 +47433,7 @@ iteration 93: trace = 4.384870359106214 (1.5455e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.429848, 0.72559, 0.725871, 0.769398, 0.785279, 0.785658, 1.14928 -elapsed time for k point: 0.24907279014587402 +elapsed time for k point: 0.25269246101379395 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.3351167660354986 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.3351850759916969 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.42984811237816406 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.5751709345431465 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7255897672261712 at Vector3<0.0, 0.0, 0.0> @@ -47430,7 +47446,7 @@ Gap from band 2 (0.42984811237816406) to band 3 (0.5751709345431465), 28.919416524522983% Gap from band 5 (0.7793792212092521) to band 6 (0.78527869844185), 0.7540916335135398% Gap from band 7 (0.9122560439014186) to band 8 (1.0540350508135126), 14.420958045649781% -total elapsed time for run: 1.144906997680664 +total elapsed time for run: 1.168043851852417 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -47474,7 +47490,7 @@ 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: 0.0014994144439697266 +elapsed time for initialization: 0.0015025138854980469 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... @@ -47676,7 +47692,7 @@ iteration 91: trace = 6.466405545431611 (3.66457e-11% change) Finished solving for bands 2 to 8 after 91 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.727845, 0.788088, 0.920961, 0.922085, 1.01687, 1.01845, 1.24334 -elapsed time for k point: 0.2424604892730713 +elapsed time for k point: 0.24763727188110352 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -47781,7 +47797,7 @@ iteration 50: trace = 6.367909049127841 (9.15947e-11% change) Finished solving for bands 1 to 8 after 50 iterations. tefreqs:, 2, 0, 0.1, 0, 0.11547, 0.10214, 0.723854, 0.784332, 0.900771, 0.902155, 1.03144, 1.03948, 1.2036 -elapsed time for k point: 0.16308259963989258 +elapsed time for k point: 0.16703200340270996 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 8 iterations. @@ -47838,7 +47854,7 @@ iteration 26: trace = 6.307408527722558 (7.92367e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0, 0.2, 0, 0.23094, 0.203735, 0.707761, 0.769484, 0.867508, 0.869257, 1.05383, 1.07964, 1.17834 -elapsed time for k point: 0.08634757995605469 +elapsed time for k point: 0.08738374710083008 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -47895,7 +47911,7 @@ iteration 26: trace = 6.281971560075127 (8.23994e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 4, 0, 0.3, 0, 0.34641, 0.304067, 0.663675, 0.75048, 0.840899, 0.85049, 1.07273, 1.11526, 1.16655 -elapsed time for k point: 0.0861663818359375 +elapsed time for k point: 0.08718276023864746 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -47962,7 +47978,7 @@ iteration 31: trace = 6.28267176611981 (5.94035e-11% change) Finished solving for bands 1 to 8 after 31 iterations. tefreqs:, 5, 0, 0.4, 0, 0.46188, 0.401691, 0.590457, 0.741009, 0.822518, 0.84569, 1.08497, 1.13738, 1.16665 -elapsed time for k point: 0.10161280632019043 +elapsed time for k point: 0.1042318344116211 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -48045,7 +48061,7 @@ iteration 39: trace = 6.294405703268606 (7.7439e-11% change) Finished solving for bands 1 to 8 after 39 iterations. tefreqs:, 6, 0, 0.5, 0, 0.57735, 0.478396, 0.520318, 0.738393, 0.816173, 0.844859, 1.08909, 1.14451, 1.17202 -elapsed time for k point: 0.12767624855041504 +elapsed time for k point: 0.13129973411560059 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -48110,7 +48126,7 @@ iteration 30: trace = 6.296467689265775 (7.747e-11% change) Finished solving for bands 1 to 8 after 30 iterations. tefreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.48205, 0.522761, 0.727295, 0.819868, 0.844497, 1.09131, 1.14544, 1.17197 -elapsed time for k point: 0.09888052940368652 +elapsed time for k point: 0.10175275802612305 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -48181,7 +48197,7 @@ iteration 33: trace = 6.301845550822882 (4.11966e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.492796, 0.529981, 0.69937, 0.826669, 0.843482, 1.09673, 1.14811, 1.17183 -elapsed time for k point: 0.1079862117767334 +elapsed time for k point: 0.11069631576538086 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -48254,7 +48270,7 @@ iteration 34: trace = 6.309184046353368 (7.88202e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.510012, 0.541662, 0.661523, 0.832379, 0.841947, 1.10264, 1.15222, 1.1717 -elapsed time for k point: 0.11141824722290039 +elapsed time for k point: 0.11398053169250488 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -48329,7 +48345,7 @@ iteration 35: trace = 6.318322876593966 (6.69966e-11% change) Finished solving for bands 1 to 8 after 35 iterations. tefreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.532564, 0.557306, 0.617759, 0.836201, 0.840118, 1.10684, 1.15685, 1.1722 -elapsed time for k point: 0.11509323120117188 +elapsed time for k point: 0.1175985336303711 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -48486,7 +48502,7 @@ iteration 72: trace = 6.329316110445914 (8.92484e-11% change) Finished solving for bands 1 to 8 after 72 iterations. tefreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.553509, 0.57602, 0.576336, 0.838242, 0.838556, 1.10835, 1.15937, 1.17498 -elapsed time for k point: 0.23337459564208984 +elapsed time for k point: 0.23917150497436523 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -48697,7 +48713,7 @@ iteration 101: trace = 6.298594861654125 (6.19607e-11% change) Finished solving for bands 1 to 8 after 101 iterations. tefreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.461593, 0.620594, 0.628556, 0.836746, 0.840202, 1.10228, 1.15102, 1.16591 -elapsed time for k point: 0.3268303871154785 +elapsed time for k point: 0.3336453437805176 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -48752,7 +48768,7 @@ iteration 25: trace = 6.282608553113039 (8.71269e-11% change) Finished solving for bands 1 to 8 after 25 iterations. tefreqs:, 13, -0.2, 0.2, 0, 0.4, 0.350141, 0.666671, 0.698454, 0.841979, 0.843343, 1.08599, 1.12874, 1.16367 -elapsed time for k point: 0.08252358436584473 +elapsed time for k point: 0.08498048782348633 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -48805,7 +48821,7 @@ iteration 24: trace = 6.296830790289759 (6.42208e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.234979, 0.703081, 0.756416, 0.858378, 0.861716, 1.0625, 1.09087, 1.1734 -elapsed time for k point: 0.07932806015014648 +elapsed time for k point: 0.08168554306030273 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -48862,7 +48878,7 @@ iteration 26: trace = 6.356049883130346 (5.76557e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.117907, 0.722467, 0.782825, 0.895483, 0.896999, 1.03533, 1.04486, 1.19885 -elapsed time for k point: 0.08553409576416016 +elapsed time for k point: 0.08787369728088379 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. @@ -49011,7 +49027,7 @@ iteration 67: trace = 6.466405545351025 (9.27131e-11% change) Finished solving for bands 2 to 8 after 67 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.727845, 0.788088, 0.920961, 0.922085, 1.01687, 1.01845, 1.24334 -.elapsed time for k point: 0.2560732364654541 +.elapsed time for k point: 0.18313169479370117 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.5535093489972575 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.5203183590840947 at Vector3<0.0, 0.5, 0.0> to 0.7278447515454924 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.5763358596513126 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7880878930618369 at Vector3<0.0, 0.0, 0.0> @@ -49023,11 +49039,11 @@ Gap from band 3 (0.7880878930618369) to band 4 (0.8161730293674935), 3.501317761094284% Gap from band 5 (0.922084942589803) to band 6 (1.0168656683915518), 9.776497169649693% Gap from band 7 (1.159370227370717) to band 8 (1.1636719050364357), 0.37034865667815786% -total elapsed time for run: 2.3070263862609863 +total elapsed time for run: 2.281933069229126 done -/tmp/meepZVgGID/test_honey_rods-0: 3.45s +/tmp/meepWDyqgO/test_honey_rods-0: 3.45s -/tmp/meepZVgGID/test_line_defect-0 +/tmp/meepWDyqgO/test_line_defect-0 ======================== Initializing eigensolver data Computing 12 bands with 1e-12 tolerance @@ -49074,7 +49090,7 @@ 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: 0.011708974838256836 +elapsed time for initialization: 0.011740922927856445 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... @@ -49271,7 +49287,7 @@ 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: 1.8662574291229248 +elapsed time for k point: 2.0319154262542725 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 @@ -49284,18 +49300,18 @@ 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/meepZVgGID/test_line_defect-0-e.k01.b01.z.tm.h5... -Outputting fields to /tmp/meepZVgGID/test_line_defect-0-e.k01.b02.z.tm.h5... -Outputting fields to /tmp/meepZVgGID/test_line_defect-0-e.k01.b03.z.tm.h5... -Outputting fields to /tmp/meepZVgGID/test_line_defect-0-e.k01.b04.z.tm.h5... -Outputting fields to /tmp/meepZVgGID/test_line_defect-0-e.k01.b05.z.tm.h5... -Outputting fields to /tmp/meepZVgGID/test_line_defect-0-e.k01.b06.z.tm.h5... -Outputting fields to /tmp/meepZVgGID/test_line_defect-0-e.k01.b07.z.tm.h5... -Outputting fields to /tmp/meepZVgGID/test_line_defect-0-e.k01.b08.z.tm.h5... -Outputting fields to /tmp/meepZVgGID/test_line_defect-0-e.k01.b09.z.tm.h5... -Outputting fields to /tmp/meepZVgGID/test_line_defect-0-e.k01.b10.z.tm.h5... -Outputting fields to /tmp/meepZVgGID/test_line_defect-0-e.k01.b11.z.tm.h5... -Outputting fields to /tmp/meepZVgGID/test_line_defect-0-e.k01.b12.z.tm.h5... +Outputting fields to /tmp/meepWDyqgO/test_line_defect-0-e.k01.b01.z.tm.h5... +Outputting fields to /tmp/meepWDyqgO/test_line_defect-0-e.k01.b02.z.tm.h5... +Outputting fields to /tmp/meepWDyqgO/test_line_defect-0-e.k01.b03.z.tm.h5... +Outputting fields to /tmp/meepWDyqgO/test_line_defect-0-e.k01.b04.z.tm.h5... +Outputting fields to /tmp/meepWDyqgO/test_line_defect-0-e.k01.b05.z.tm.h5... +Outputting fields to /tmp/meepWDyqgO/test_line_defect-0-e.k01.b06.z.tm.h5... +Outputting fields to /tmp/meepWDyqgO/test_line_defect-0-e.k01.b07.z.tm.h5... +Outputting fields to /tmp/meepWDyqgO/test_line_defect-0-e.k01.b08.z.tm.h5... +Outputting fields to /tmp/meepWDyqgO/test_line_defect-0-e.k01.b09.z.tm.h5... +Outputting fields to /tmp/meepWDyqgO/test_line_defect-0-e.k01.b10.z.tm.h5... +Outputting fields to /tmp/meepWDyqgO/test_line_defect-0-e.k01.b11.z.tm.h5... +Outputting fields to /tmp/meepWDyqgO/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. @@ -49393,7 +49409,7 @@ 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: 1.2678287029266357 +elapsed time for k point: 1.4205563068389893 Fixing e-field (band 1) phase by -1 + 2.71695e-09i; max ampl. = 0.279221 Fixing e-field (band 2) phase by 0.066234 + 0.997804i; max ampl. = 0.368961 Fixing e-field (band 3) phase by 1 + -3.08291e-07i; max ampl. = 0.357513 @@ -49406,18 +49422,18 @@ Fixing e-field (band 10) phase by 1 + 8.06478e-05i; max ampl. = 0.50134 Fixing e-field (band 11) phase by 2.03316e-05 + 1i; max ampl. = 0.518018 Fixing e-field (band 12) phase by -0.000314817 + -1i; max ampl. = 0.377816 -Outputting fields to /tmp/meepZVgGID/test_line_defect-0-e.k02.b01.z.tm.h5... -Outputting fields to /tmp/meepZVgGID/test_line_defect-0-e.k02.b02.z.tm.h5... -Outputting fields to /tmp/meepZVgGID/test_line_defect-0-e.k02.b03.z.tm.h5... -Outputting fields to /tmp/meepZVgGID/test_line_defect-0-e.k02.b04.z.tm.h5... -Outputting fields to /tmp/meepZVgGID/test_line_defect-0-e.k02.b05.z.tm.h5... -Outputting fields to /tmp/meepZVgGID/test_line_defect-0-e.k02.b06.z.tm.h5... -Outputting fields to /tmp/meepZVgGID/test_line_defect-0-e.k02.b07.z.tm.h5... -Outputting fields to /tmp/meepZVgGID/test_line_defect-0-e.k02.b08.z.tm.h5... -Outputting fields to /tmp/meepZVgGID/test_line_defect-0-e.k02.b09.z.tm.h5... -Outputting fields to /tmp/meepZVgGID/test_line_defect-0-e.k02.b10.z.tm.h5... -Outputting fields to /tmp/meepZVgGID/test_line_defect-0-e.k02.b11.z.tm.h5... -Outputting fields to /tmp/meepZVgGID/test_line_defect-0-e.k02.b12.z.tm.h5... +Outputting fields to /tmp/meepWDyqgO/test_line_defect-0-e.k02.b01.z.tm.h5... +Outputting fields to /tmp/meepWDyqgO/test_line_defect-0-e.k02.b02.z.tm.h5... +Outputting fields to /tmp/meepWDyqgO/test_line_defect-0-e.k02.b03.z.tm.h5... +Outputting fields to /tmp/meepWDyqgO/test_line_defect-0-e.k02.b04.z.tm.h5... +Outputting fields to /tmp/meepWDyqgO/test_line_defect-0-e.k02.b05.z.tm.h5... +Outputting fields to /tmp/meepWDyqgO/test_line_defect-0-e.k02.b06.z.tm.h5... +Outputting fields to /tmp/meepWDyqgO/test_line_defect-0-e.k02.b07.z.tm.h5... +Outputting fields to /tmp/meepWDyqgO/test_line_defect-0-e.k02.b08.z.tm.h5... +Outputting fields to /tmp/meepWDyqgO/test_line_defect-0-e.k02.b09.z.tm.h5... +Outputting fields to /tmp/meepWDyqgO/test_line_defect-0-e.k02.b10.z.tm.h5... +Outputting fields to /tmp/meepWDyqgO/test_line_defect-0-e.k02.b11.z.tm.h5... +Outputting fields to /tmp/meepWDyqgO/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. @@ -49507,7 +49523,7 @@ 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: 1.144305944442749 +elapsed time for k point: 1.2866389751434326 Fixing e-field (band 1) phase by 1 + -6.69684e-16i; max ampl. = 0.316626 Fixing e-field (band 2) phase by 1.41132e-11 + 1i; max ampl. = 0.383063 Fixing e-field (band 3) phase by 1 + -1.03294e-14i; max ampl. = 0.3761 @@ -49520,18 +49536,18 @@ Fixing e-field (band 10) phase by -1 + 3.83354e-10i; max ampl. = 0.454743 Fixing e-field (band 11) phase by 4.75025e-08 + 1i; max ampl. = 0.493615 Fixing e-field (band 12) phase by -1.939e-06 + -1i; max ampl. = 0.473136 -Outputting fields to /tmp/meepZVgGID/test_line_defect-0-e.k03.b01.z.tm.h5... -Outputting fields to /tmp/meepZVgGID/test_line_defect-0-e.k03.b02.z.tm.h5... -Outputting fields to /tmp/meepZVgGID/test_line_defect-0-e.k03.b03.z.tm.h5... -Outputting fields to /tmp/meepZVgGID/test_line_defect-0-e.k03.b04.z.tm.h5... -Outputting fields to /tmp/meepZVgGID/test_line_defect-0-e.k03.b05.z.tm.h5... -Outputting fields to /tmp/meepZVgGID/test_line_defect-0-e.k03.b06.z.tm.h5... -Outputting fields to /tmp/meepZVgGID/test_line_defect-0-e.k03.b07.z.tm.h5... -Outputting fields to /tmp/meepZVgGID/test_line_defect-0-e.k03.b08.z.tm.h5... -Outputting fields to /tmp/meepZVgGID/test_line_defect-0-e.k03.b09.z.tm.h5... -Outputting fields to /tmp/meepZVgGID/test_line_defect-0-e.k03.b10.z.tm.h5... -Outputting fields to /tmp/meepZVgGID/test_line_defect-0-e.k03.b11.z.tm.h5... -Outputting fields to /tmp/meepZVgGID/test_line_defect-0-e.k03.b12.z.tm.h5... +Outputting fields to /tmp/meepWDyqgO/test_line_defect-0-e.k03.b01.z.tm.h5... +Outputting fields to /tmp/meepWDyqgO/test_line_defect-0-e.k03.b02.z.tm.h5... +Outputting fields to /tmp/meepWDyqgO/test_line_defect-0-e.k03.b03.z.tm.h5... +Outputting fields to /tmp/meepWDyqgO/test_line_defect-0-e.k03.b04.z.tm.h5... +Outputting fields to /tmp/meepWDyqgO/test_line_defect-0-e.k03.b05.z.tm.h5... +Outputting fields to /tmp/meepWDyqgO/test_line_defect-0-e.k03.b06.z.tm.h5... +Outputting fields to /tmp/meepWDyqgO/test_line_defect-0-e.k03.b07.z.tm.h5... +Outputting fields to /tmp/meepWDyqgO/test_line_defect-0-e.k03.b08.z.tm.h5... +Outputting fields to /tmp/meepWDyqgO/test_line_defect-0-e.k03.b09.z.tm.h5... +Outputting fields to /tmp/meepWDyqgO/test_line_defect-0-e.k03.b10.z.tm.h5... +Outputting fields to /tmp/meepWDyqgO/test_line_defect-0-e.k03.b11.z.tm.h5... +Outputting fields to /tmp/meepWDyqgO/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. @@ -49753,7 +49769,7 @@ 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: 2.909348964691162 +elapsed time for k point: 3.246619462966919 Fixing e-field (band 1) phase by 1 + -8.43945e-17i; max ampl. = 0.362092 Fixing e-field (band 2) phase by -7.36728e-12 + -1i; max ampl. = 0.407764 Fixing e-field (band 3) phase by -1 + -1.0166e-15i; max ampl. = 0.420136 @@ -49766,18 +49782,18 @@ Fixing e-field (band 10) phase by 1 + -2.47558e-12i; max ampl. = 0.483552 Fixing e-field (band 11) phase by -9.51712e-12 + 1i; max ampl. = 0.523494 Fixing e-field (band 12) phase by -1 + -7.63476e-11i; max ampl. = 0.423458 -Outputting fields to /tmp/meepZVgGID/test_line_defect-0-e.k04.b01.z.tm.h5... -Outputting fields to /tmp/meepZVgGID/test_line_defect-0-e.k04.b02.z.tm.h5... -Outputting fields to /tmp/meepZVgGID/test_line_defect-0-e.k04.b03.z.tm.h5... -Outputting fields to /tmp/meepZVgGID/test_line_defect-0-e.k04.b04.z.tm.h5... -Outputting fields to /tmp/meepZVgGID/test_line_defect-0-e.k04.b05.z.tm.h5... -Outputting fields to /tmp/meepZVgGID/test_line_defect-0-e.k04.b06.z.tm.h5... -Outputting fields to /tmp/meepZVgGID/test_line_defect-0-e.k04.b07.z.tm.h5... -Outputting fields to /tmp/meepZVgGID/test_line_defect-0-e.k04.b08.z.tm.h5... -Outputting fields to /tmp/meepZVgGID/test_line_defect-0-e.k04.b09.z.tm.h5... -Outputting fields to /tmp/meepZVgGID/test_line_defect-0-e.k04.b10.z.tm.h5... -Outputting fields to /tmp/meepZVgGID/test_line_defect-0-e.k04.b11.z.tm.h5... -Outputting fields to /tmp/meepZVgGID/test_line_defect-0-e.k04.b12.z.tm.h5... +Outputting fields to /tmp/meepWDyqgO/test_line_defect-0-e.k04.b01.z.tm.h5... +Outputting fields to /tmp/meepWDyqgO/test_line_defect-0-e.k04.b02.z.tm.h5... +Outputting fields to /tmp/meepWDyqgO/test_line_defect-0-e.k04.b03.z.tm.h5... +Outputting fields to /tmp/meepWDyqgO/test_line_defect-0-e.k04.b04.z.tm.h5... +Outputting fields to /tmp/meepWDyqgO/test_line_defect-0-e.k04.b05.z.tm.h5... +Outputting fields to /tmp/meepWDyqgO/test_line_defect-0-e.k04.b06.z.tm.h5... +Outputting fields to /tmp/meepWDyqgO/test_line_defect-0-e.k04.b07.z.tm.h5... +Outputting fields to /tmp/meepWDyqgO/test_line_defect-0-e.k04.b08.z.tm.h5... +Outputting fields to /tmp/meepWDyqgO/test_line_defect-0-e.k04.b09.z.tm.h5... +Outputting fields to /tmp/meepWDyqgO/test_line_defect-0-e.k04.b10.z.tm.h5... +Outputting fields to /tmp/meepWDyqgO/test_line_defect-0-e.k04.b11.z.tm.h5... +Outputting fields to /tmp/meepWDyqgO/test_line_defect-0-e.k04.b12.z.tm.h5... solve_kpoint (0.4,1.4,0): Solving for bands 1 to 6... linmin: converged after 6 iterations. @@ -49939,7 +49955,7 @@ 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: 2.133615255355835 +elapsed time for k point: 2.326914072036743 Fixing e-field (band 1) phase by 1 + -1.73164e-16i; max ampl. = 0.407996 Fixing e-field (band 2) phase by -3.3667e-12 + -1i; max ampl. = 0.441101 Fixing e-field (band 3) phase by 1 + 2.01153e-15i; max ampl. = 0.464954 @@ -49952,18 +49968,18 @@ Fixing e-field (band 10) phase by 1.98569e-13 + 1i; max ampl. = 0.518507 Fixing e-field (band 11) phase by -1 + -3.00146e-12i; max ampl. = 0.471405 Fixing e-field (band 12) phase by 1.05977e-13 + -1i; max ampl. = 0.443866 -Outputting fields to /tmp/meepZVgGID/test_line_defect-0-e.k05.b01.z.tm.h5... -Outputting fields to /tmp/meepZVgGID/test_line_defect-0-e.k05.b02.z.tm.h5... -Outputting fields to /tmp/meepZVgGID/test_line_defect-0-e.k05.b03.z.tm.h5... -Outputting fields to /tmp/meepZVgGID/test_line_defect-0-e.k05.b04.z.tm.h5... -Outputting fields to /tmp/meepZVgGID/test_line_defect-0-e.k05.b05.z.tm.h5... -Outputting fields to /tmp/meepZVgGID/test_line_defect-0-e.k05.b06.z.tm.h5... -Outputting fields to /tmp/meepZVgGID/test_line_defect-0-e.k05.b07.z.tm.h5... -Outputting fields to /tmp/meepZVgGID/test_line_defect-0-e.k05.b08.z.tm.h5... -Outputting fields to /tmp/meepZVgGID/test_line_defect-0-e.k05.b09.z.tm.h5... -Outputting fields to /tmp/meepZVgGID/test_line_defect-0-e.k05.b10.z.tm.h5... -Outputting fields to /tmp/meepZVgGID/test_line_defect-0-e.k05.b11.z.tm.h5... -Outputting fields to /tmp/meepZVgGID/test_line_defect-0-e.k05.b12.z.tm.h5... +Outputting fields to /tmp/meepWDyqgO/test_line_defect-0-e.k05.b01.z.tm.h5... +Outputting fields to /tmp/meepWDyqgO/test_line_defect-0-e.k05.b02.z.tm.h5... +Outputting fields to /tmp/meepWDyqgO/test_line_defect-0-e.k05.b03.z.tm.h5... +Outputting fields to /tmp/meepWDyqgO/test_line_defect-0-e.k05.b04.z.tm.h5... +Outputting fields to /tmp/meepWDyqgO/test_line_defect-0-e.k05.b05.z.tm.h5... +Outputting fields to /tmp/meepWDyqgO/test_line_defect-0-e.k05.b06.z.tm.h5... +Outputting fields to /tmp/meepWDyqgO/test_line_defect-0-e.k05.b07.z.tm.h5... +Outputting fields to /tmp/meepWDyqgO/test_line_defect-0-e.k05.b08.z.tm.h5... +Outputting fields to /tmp/meepWDyqgO/test_line_defect-0-e.k05.b09.z.tm.h5... +Outputting fields to /tmp/meepWDyqgO/test_line_defect-0-e.k05.b10.z.tm.h5... +Outputting fields to /tmp/meepWDyqgO/test_line_defect-0-e.k05.b11.z.tm.h5... +Outputting fields to /tmp/meepWDyqgO/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. @@ -50019,7 +50035,7 @@ 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: 0.9873859882354736 +elapsed time for k point: 0.7235727310180664 Fixing e-field (band 1) phase by 1 + -2.00047e-16i; max ampl. = 0.422882 Fixing e-field (band 2) phase by 3.32784e-12 + -1i; max ampl. = 0.466091 Fixing e-field (band 3) phase by 1 + -1.40064e-17i; max ampl. = 0.462198 @@ -50032,18 +50048,18 @@ Fixing e-field (band 10) phase by -5.29416e-13 + 1i; max ampl. = 0.472551 Fixing e-field (band 11) phase by 1 + -1.64417e-14i; max ampl. = 0.507635 Fixing e-field (band 12) phase by 3.04706e-13 + 1i; max ampl. = 0.465525 -..Outputting fields to /tmp/meepZVgGID/test_line_defect-0-e.k06.b01.z.tm.h5... -Outputting fields to /tmp/meepZVgGID/test_line_defect-0-e.k06.b02.z.tm.h5... -Outputting fields to /tmp/meepZVgGID/test_line_defect-0-e.k06.b03.z.tm.h5... -Outputting fields to /tmp/meepZVgGID/test_line_defect-0-e.k06.b04.z.tm.h5... -Outputting fields to /tmp/meepZVgGID/test_line_defect-0-e.k06.b05.z.tm.h5... -Outputting fields to /tmp/meepZVgGID/test_line_defect-0-e.k06.b06.z.tm.h5... -Outputting fields to /tmp/meepZVgGID/test_line_defect-0-e.k06.b07.z.tm.h5... -Outputting fields to /tmp/meepZVgGID/test_line_defect-0-e.k06.b08.z.tm.h5... -Outputting fields to /tmp/meepZVgGID/test_line_defect-0-e.k06.b09.z.tm.h5... -Outputting fields to /tmp/meepZVgGID/test_line_defect-0-e.k06.b10.z.tm.h5... -Outputting fields to /tmp/meepZVgGID/test_line_defect-0-e.k06.b11.z.tm.h5... -Outputting fields to /tmp/meepZVgGID/test_line_defect-0-e.k06.b12.z.tm.h5... +..Outputting fields to /tmp/meepWDyqgO/test_line_defect-0-e.k06.b01.z.tm.h5... +Outputting fields to /tmp/meepWDyqgO/test_line_defect-0-e.k06.b02.z.tm.h5... +Outputting fields to /tmp/meepWDyqgO/test_line_defect-0-e.k06.b03.z.tm.h5... +Outputting fields to /tmp/meepWDyqgO/test_line_defect-0-e.k06.b04.z.tm.h5... +Outputting fields to /tmp/meepWDyqgO/test_line_defect-0-e.k06.b05.z.tm.h5... +Outputting fields to /tmp/meepWDyqgO/test_line_defect-0-e.k06.b06.z.tm.h5... +Outputting fields to /tmp/meepWDyqgO/test_line_defect-0-e.k06.b07.z.tm.h5... +Outputting fields to /tmp/meepWDyqgO/test_line_defect-0-e.k06.b08.z.tm.h5... +Outputting fields to /tmp/meepWDyqgO/test_line_defect-0-e.k06.b09.z.tm.h5... +Outputting fields to /tmp/meepWDyqgO/test_line_defect-0-e.k06.b10.z.tm.h5... +Outputting fields to /tmp/meepWDyqgO/test_line_defect-0-e.k06.b11.z.tm.h5... +Outputting fields to /tmp/meepWDyqgO/test_line_defect-0-e.k06.b12.z.tm.h5... Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2563501053544447 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> Band 2 range: 0.10088801014542215 at Vector3<0.0, 0.0, 0.0> to 0.25697767129278226 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> Band 3 range: 0.11054374616924004 at Vector3<0.0, 0.0, 0.0> to 0.25834187991797375 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> @@ -50058,15 +50074,15 @@ Band 12 range: 0.4656904639721246 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> to 0.5451229846661458 at Vector3<0.0, 0.0, 0.0> Gap from band 6 (0.27082126366760045) to band 7 (0.33733710311255866), 21.8745126527225% Gap from band 7 (0.442497664916943) to band 8 (0.4482627765538221), 1.2944247113983016% -total elapsed time for run: 10.532853841781616 +total elapsed time for run: 11.270057201385498 done -/tmp/meepZVgGID/test_line_defect-0: 10.54s +/tmp/meepWDyqgO/test_line_defect-0: 11.28s -/tmp/meepZVgGID/test_list_split-0 +/tmp/meepWDyqgO/test_list_split-0 ======================== -/tmp/meepZVgGID/test_list_split-0: 0.00s +/tmp/meepWDyqgO/test_list_split-0: 0.00s -/tmp/meepZVgGID/test_load_and_save_eigenvectors-0 +/tmp/meepWDyqgO/test_load_and_save_eigenvectors-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -50109,7 +50125,7 @@ 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: 0.0013852119445800781 +elapsed time for initialization: 0.0013544559478759766 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... @@ -50220,7 +50236,7 @@ iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.14198946952819824 +elapsed time for k point: 0.14226317405700684 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -50471,7 +50487,7 @@ iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.39487552642822266 +elapsed time for k point: 0.3950369358062744 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -50528,7 +50544,7 @@ iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.08703422546386719 +elapsed time for k point: 0.08698415756225586 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -50581,7 +50597,7 @@ iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.07991862297058105 +elapsed time for k point: 0.0802609920501709 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -50642,7 +50658,7 @@ iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.09258246421813965 +elapsed time for k point: 0.09261417388916016 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -50735,7 +50751,7 @@ iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.1446847915649414 +elapsed time for k point: 0.14529109001159668 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -50806,7 +50822,7 @@ iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.10928702354431152 +elapsed time for k point: 0.10927867889404297 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -50867,7 +50883,7 @@ iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.09413719177246094 +elapsed time for k point: 0.09338998794555664 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -50920,7 +50936,7 @@ iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.08159852027893066 +elapsed time for k point: 0.08017754554748535 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -50972,7 +50988,7 @@ iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.07659053802490234 +elapsed time for k point: 0.07706904411315918 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -51024,7 +51040,7 @@ iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.07657265663146973 +elapsed time for k point: 0.07651400566101074 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -51065,7 +51081,7 @@ iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.06054210662841797 +elapsed time for k point: 0.06030774116516113 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -51112,7 +51128,7 @@ iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.07019495964050293 +elapsed time for k point: 0.07055902481079102 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -51175,7 +51191,7 @@ iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.09588146209716797 +elapsed time for k point: 0.09602642059326172 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -51248,7 +51264,7 @@ iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.11270976066589355 +elapsed time for k point: 0.11240839958190918 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -51443,7 +51459,7 @@ iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.2516210079193115 +elapsed time for k point: 0.25103235244750977 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> @@ -51455,7 +51471,7 @@ Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% -total elapsed time for run: 1.9741013050079346 +total elapsed time for run: 1.9717094898223877 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -51497,7 +51513,7 @@ 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: 0.001420736312866211 +elapsed time for initialization: 0.0014102458953857422 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... @@ -51608,7 +51624,7 @@ iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.14148712158203125 +elapsed time for k point: 0.14146113395690918 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -51859,7 +51875,7 @@ iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.3934626579284668 +elapsed time for k point: 0.3966846466064453 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -51916,7 +51932,7 @@ iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.08675885200500488 +elapsed time for k point: 0.08647322654724121 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -51969,7 +51985,7 @@ iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.08006930351257324 +elapsed time for k point: 0.07978296279907227 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -52030,7 +52046,7 @@ iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.09308457374572754 +elapsed time for k point: 0.09277224540710449 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -52123,7 +52139,7 @@ iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.14429831504821777 +elapsed time for k point: 0.14577078819274902 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -52194,7 +52210,7 @@ iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.10872173309326172 +elapsed time for k point: 0.11034965515136719 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -52255,7 +52271,7 @@ iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.09291648864746094 +elapsed time for k point: 0.09265637397766113 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -52308,7 +52324,7 @@ iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.07983088493347168 +elapsed time for k point: 0.08034658432006836 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -52360,7 +52376,7 @@ iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.07615041732788086 +elapsed time for k point: 0.07717132568359375 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -52412,7 +52428,7 @@ iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.07604622840881348 +elapsed time for k point: 0.0763998031616211 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -52453,7 +52469,7 @@ iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.06018185615539551 +elapsed time for k point: 0.06043100357055664 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -52500,7 +52516,7 @@ iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.06989884376525879 +elapsed time for k point: 0.07044243812561035 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -52563,7 +52579,7 @@ iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.09543514251708984 +elapsed time for k point: 0.09583425521850586 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -52636,7 +52652,7 @@ iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.11160707473754883 +elapsed time for k point: 0.11279821395874023 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -52831,7 +52847,7 @@ iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -.elapsed time for k point: 0.2490673065185547 +.elapsed time for k point: 0.25125837326049805 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> @@ -52843,11 +52859,11 @@ Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% -total elapsed time for run: 1.9615814685821533 +total elapsed time for run: 1.9731955528259277 done -/tmp/meepZVgGID/test_load_and_save_eigenvectors-0: 3.94s +/tmp/meepWDyqgO/test_load_and_save_eigenvectors-0: 3.95s -/tmp/meepZVgGID/test_maximize_first_tm_gap-0 +/tmp/meepWDyqgO/test_maximize_first_tm_gap-0 ======================== Initializing eigensolver data Computing 2 bands with 1e-12 tolerance @@ -52890,7 +52906,7 @@ 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: 0.0009248256683349609 +elapsed time for initialization: 0.0009317398071289062 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... @@ -52929,7 +52945,7 @@ iteration 16: trace = 0.2090835261705098 (4.53204e-11% change) Finished solving for bands 2 to 2 after 16 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.457257 -elapsed time for k point: 0.0043201446533203125 +elapsed time for k point: 0.004280567169189453 solve_kpoint (0.1,0,0): Solving for bands 1 to 2... linmin: converged after 10 iterations. @@ -52996,7 +53012,7 @@ iteration 30: trace = 0.201404650159914 (1.74605e-11% change) Finished solving for bands 1 to 2 after 30 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0554835, 0.445338 -elapsed time for k point: 0.01653909683227539 +elapsed time for k point: 0.016516923904418945 solve_kpoint (0.2,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. @@ -53019,7 +53035,7 @@ iteration 9: trace = 0.1879007300173185 (4.32802e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.108796, 0.4196 -elapsed time for k point: 0.005263805389404297 +elapsed time for k point: 0.0052068233489990234 solve_kpoint (0.3,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -53042,7 +53058,7 @@ iteration 9: trace = 0.1768571842568802 (3.84498e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.157121, 0.39009 -elapsed time for k point: 0.005228757858276367 +elapsed time for k point: 0.005234241485595703 solve_kpoint (0.4,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -53063,7 +53079,7 @@ iteration 8: trace = 0.1701630436771221 (4.11041e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.195165, 0.36342 -elapsed time for k point: 0.0047185420989990234 +elapsed time for k point: 0.004698038101196289 solve_kpoint (0.5,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. @@ -53084,7 +53100,7 @@ iteration 8: trace = 0.167954201774869 (3.77281e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.211216, 0.351201 -elapsed time for k point: 0.004723310470581055 +elapsed time for k point: 0.004698514938354492 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 2... linmin: converged after 3 iterations. @@ -53105,7 +53121,7 @@ iteration 8: trace = 0.1727422479677606 (9.39956e-12% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.214395, 0.356057 -elapsed time for k point: 0.004703044891357422 +elapsed time for k point: 0.004658222198486328 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -53126,7 +53142,7 @@ iteration 8: trace = 0.1859937688378515 (2.15337e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.223034, 0.36912 -elapsed time for k point: 0.00472569465637207 +elapsed time for k point: 0.004703521728515625 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -53147,7 +53163,7 @@ iteration 8: trace = 0.2041420413289723 (7.57989e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.234535, 0.38618 -elapsed time for k point: 0.0046880245208740234 +elapsed time for k point: 0.0046863555908203125 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. @@ -53170,7 +53186,7 @@ iteration 9: trace = 0.2207583578967242 (6.03496e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.244797, 0.40104 -elapsed time for k point: 0.005227327346801758 +elapsed time for k point: 0.0052013397216796875 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -53193,7 +53209,7 @@ iteration 9: trace = 0.2277122843842428 (1.05556e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.249029, 0.407058 -elapsed time for k point: 0.005246639251708984 +elapsed time for k point: 0.005223989486694336 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -53235,7 +53251,7 @@ iteration 17: trace = 0.2194624955004418 (3.56141e-11% change) Finished solving for bands 1 to 2 after 17 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.239439, 0.402656 -elapsed time for k point: 0.009470701217651367 +elapsed time for k point: 0.009433746337890625 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -53258,7 +53274,7 @@ iteration 9: trace = 0.2042021396245495 (5.31455e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.206339, 0.402028 -elapsed time for k point: 0.005266666412353516 +elapsed time for k point: 0.0052182674407958984 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. @@ -53281,7 +53297,7 @@ iteration 9: trace = 0.1959313854307188 (4.00897e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.149555, 0.416611 -elapsed time for k point: 0.00522923469543457 +elapsed time for k point: 0.0052337646484375 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 2... linmin: converged after 8 iterations. @@ -53306,7 +53322,7 @@ iteration 10: trace = 0.2007748484301817 (1.08105e-11% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0779669, 0.441244 -elapsed time for k point: 0.005747795104980469 +elapsed time for k point: 0.00574183464050293 solve_kpoint (0,0,0): Solving for bands 2 to 2... linmin: converged after 6 iterations. @@ -53335,11 +53351,11 @@ iteration 12: trace = 0.2090835122571488 (3.45147e-11% change) Finished solving for bands 2 to 2 after 12 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.457257 -elapsed time for k point: 0.0032508373260498047 +elapsed time for k point: 0.0031952857971191406 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.24902949992222 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.35120083530511803 at Vector3<0.5, 0.0, 0.0> to 0.4572565211897039 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.24902949992222) to band 2 (0.35120083530511803), 34.044042557162825% -total elapsed time for run: 0.09593391418457031 +total elapsed time for run: 0.09552335739135742 done Initializing eigensolver data Computing 2 bands with 1e-12 tolerance @@ -53381,7 +53397,7 @@ 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: 0.0011882781982421875 +elapsed time for initialization: 0.0012021064758300781 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... @@ -53422,7 +53438,7 @@ iteration 17: trace = 0.1326529296620271 (9.95329e-11% change) Finished solving for bands 2 to 2 after 17 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.364215 -elapsed time for k point: 0.004574775695800781 +elapsed time for k point: 0.004518032073974609 solve_kpoint (0.1,0,0): Solving for bands 1 to 2... linmin: converged after 9 iterations. @@ -53482,7 +53498,7 @@ iteration 27: trace = 0.1274079622121569 (4.56827e-11% change) Finished solving for bands 1 to 2 after 27 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0438278, 0.354242 -elapsed time for k point: 0.014912843704223633 +elapsed time for k point: 0.014833688735961914 solve_kpoint (0.2,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. @@ -53505,7 +53521,7 @@ iteration 9: trace = 0.1169623869301465 (5.37255e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.086595, 0.330853 -elapsed time for k point: 0.005329132080078125 +elapsed time for k point: 0.005215883255004883 solve_kpoint (0.3,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. @@ -53528,7 +53544,7 @@ iteration 9: trace = 0.1074794489925547 (2.87938e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.126861, 0.302301 -elapsed time for k point: 0.005223751068115234 +elapsed time for k point: 0.0052454471588134766 solve_kpoint (0.4,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -53549,7 +53565,7 @@ iteration 8: trace = 0.1013401281478577 (3.10586e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.161288, 0.274456 -elapsed time for k point: 0.0047075748443603516 +elapsed time for k point: 0.004703998565673828 solve_kpoint (0.5,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -53570,7 +53586,7 @@ iteration 8: trace = 0.09924540234965068 (1.0907e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.177897, 0.259996 -elapsed time for k point: 0.00470280647277832 +elapsed time for k point: 0.0046939849853515625 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -53591,7 +53607,7 @@ iteration 8: trace = 0.1023441112106414 (2.08823e-12% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.18095, 0.263821 -elapsed time for k point: 0.004739522933959961 +elapsed time for k point: 0.004685640335083008 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -53612,7 +53628,7 @@ iteration 8: trace = 0.1111004875044771 (9.06861e-12% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.189456, 0.274239 -elapsed time for k point: 0.004708766937255859 +elapsed time for k point: 0.004719734191894531 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -53633,7 +53649,7 @@ iteration 8: trace = 0.1236552584709829 (3.20752e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.201452, 0.288223 -elapsed time for k point: 0.0046880245208740234 +elapsed time for k point: 0.00467991828918457 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. @@ -53656,7 +53672,7 @@ iteration 9: trace = 0.1360211172747791 (1.03659e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.213244, 0.300912 -elapsed time for k point: 0.005212068557739258 +elapsed time for k point: 0.005217313766479492 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -53679,7 +53695,7 @@ iteration 9: trace = 0.1415827248187514 (3.31108e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.218623, 0.306246 -elapsed time for k point: 0.005261898040771484 +elapsed time for k point: 0.005211830139160156 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -53729,7 +53745,7 @@ iteration 21: trace = 0.1366069801387 (1.8347e-11% change) Finished solving for bands 1 to 2 after 21 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.206544, 0.306507 -elapsed time for k point: 0.011606216430664062 +elapsed time for k point: 0.011582612991333008 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. @@ -53752,7 +53768,7 @@ iteration 9: trace = 0.1283044775563505 (4.18591e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.171233, 0.314617 -elapsed time for k point: 0.005263328552246094 +elapsed time for k point: 0.005235433578491211 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. @@ -53775,7 +53791,7 @@ iteration 9: trace = 0.125065286647159 (9.16566e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.120346, 0.332539 -elapsed time for k point: 0.005239725112915039 +elapsed time for k point: 0.005247592926025391 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. @@ -53798,7 +53814,7 @@ iteration 9: trace = 0.1287431504622696 (9.99901e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0617389, 0.353456 -elapsed time for k point: 0.005218982696533203 +elapsed time for k point: 0.00522160530090332 solve_kpoint (0,0,0): Solving for bands 2 to 2... linmin: converged after 4 iterations. @@ -53829,11 +53845,11 @@ iteration 13: trace = 0.1326529452608119 (4.36045e-11% change) Finished solving for bands 2 to 2 after 13 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.364216 -elapsed time for k point: 0.003496885299682617 +elapsed time for k point: 0.0034503936767578125 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2186225691051753 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.25999614437474916 at Vector3<0.5, 0.0, 0.0> to 0.3642155203458684 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.2186225691051753) to band 2 (0.25999614437474916), 17.288741164655384% -total elapsed time for run: 0.09673094749450684 +total elapsed time for run: 0.0963296890258789 done Initializing eigensolver data Computing 2 bands with 1e-12 tolerance @@ -53875,7 +53891,7 @@ 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: 0.00090789794921875 +elapsed time for initialization: 0.00087738037109375 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... @@ -53922,7 +53938,7 @@ iteration 20: trace = 0.2982519551490034 (5.17418e-11% change) Finished solving for bands 2 to 2 after 20 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.546124 -elapsed time for k point: 0.005288839340209961 +elapsed time for k point: 0.005263566970825195 solve_kpoint (0.1,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -53959,7 +53975,7 @@ iteration 16: trace = 0.2795911378478668 (6.13898e-11% change) Finished solving for bands 1 to 2 after 16 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0654224, 0.524701 -elapsed time for k point: 0.009044885635375977 +elapsed time for k point: 0.008999824523925781 solve_kpoint (0.2,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -53984,7 +54000,7 @@ iteration 10: trace = 0.2611842409470008 (6.08704e-11% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.128149, 0.494734 -elapsed time for k point: 0.0057871341705322266 +elapsed time for k point: 0.005761146545410156 solve_kpoint (0.3,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54007,7 +54023,7 @@ iteration 9: trace = 0.2490993774400128 (1.37943e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.184564, 0.463719 -elapsed time for k point: 0.005256175994873047 +elapsed time for k point: 0.005248546600341797 solve_kpoint (0.4,0,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -54028,7 +54044,7 @@ iteration 8: trace = 0.242445714489984 (6.61589e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.228088, 0.436373 -elapsed time for k point: 0.004698514938354492 +elapsed time for k point: 0.00468897819519043 solve_kpoint (0.5,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. @@ -54049,7 +54065,7 @@ iteration 8: trace = 0.2403442724329466 (2.88129e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.245908, 0.424115 -elapsed time for k point: 0.004710674285888672 +elapsed time for k point: 0.0047149658203125 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -54070,7 +54086,7 @@ iteration 8: trace = 0.2478135698278218 (2.76645e-12% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.249363, 0.43085 -elapsed time for k point: 0.004755973815917969 +elapsed time for k point: 0.004685163497924805 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -54091,7 +54107,7 @@ iteration 8: trace = 0.2687921840070467 (1.52412e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.258652, 0.449323 -elapsed time for k point: 0.00470733642578125 +elapsed time for k point: 0.0047075748443603516 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -54112,7 +54128,7 @@ iteration 8: trace = 0.2984106619036122 (7.56926e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.270746, 0.474454 -elapsed time for k point: 0.00469660758972168 +elapsed time for k point: 0.004689455032348633 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. @@ -54135,7 +54151,7 @@ iteration 9: trace = 0.3267691033102509 (4.51878e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.281204, 0.497688 -elapsed time for k point: 0.005234956741333008 +elapsed time for k point: 0.005234718322753906 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. @@ -54158,7 +54174,7 @@ iteration 9: trace = 0.3391341088633691 (2.85958e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.285404, 0.507621 -elapsed time for k point: 0.005272626876831055 +elapsed time for k point: 0.005239963531494141 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54197,7 +54213,7 @@ iteration 17: trace = 0.3215197827688706 (6.92336e-11% change) Finished solving for bands 1 to 2 after 17 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.275795, 0.495436 -elapsed time for k point: 0.009472131729125977 +elapsed time for k point: 0.009462594985961914 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54220,7 +54236,7 @@ iteration 9: trace = 0.2901214013723648 (2.07219e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.240471, 0.48197 -elapsed time for k point: 0.005226612091064453 +elapsed time for k point: 0.005209922790527344 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54245,7 +54261,7 @@ iteration 10: trace = 0.2708607258851711 (6.02534e-12% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.175771, 0.489863 -elapsed time for k point: 0.0057866573333740234 +elapsed time for k point: 0.005752086639404297 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 2... linmin: converged after 9 iterations. @@ -54272,7 +54288,7 @@ iteration 11: trace = 0.2750943676881146 (3.63221e-12% change) Finished solving for bands 1 to 2 after 11 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0919053, 0.51638 -elapsed time for k point: 0.006276130676269531 +elapsed time for k point: 0.006279945373535156 solve_kpoint (0,0,0): Solving for bands 2 to 2... linmin: converged after 5 iterations. @@ -54309,11 +54325,11 @@ iteration 16: trace = 0.2982519551492224 (9.14974e-11% change) Finished solving for bands 2 to 2 after 16 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.546124 -elapsed time for k point: 0.004253387451171875 +elapsed time for k point: 0.004210710525512695 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.28540381057856945 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.42411505161943924 at Vector3<0.5, 0.0, 0.0> to 0.5461244868610293 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.28540381057856945) to band 2 (0.42411505161943924), 39.1000855456212% -total elapsed time for run: 0.09203410148620605 +total elapsed time for run: 0.09167194366455078 done Initializing eigensolver data Computing 2 bands with 1e-12 tolerance @@ -54355,7 +54371,7 @@ 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: 0.0009407997131347656 +elapsed time for initialization: 0.0009136199951171875 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... @@ -54390,7 +54406,7 @@ iteration 14: trace = 0.3025956959406486 (2.03262e-11% change) Finished solving for bands 2 to 2 after 14 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.550087 -elapsed time for k point: 0.0037996768951416016 +elapsed time for k point: 0.0037689208984375 solve_kpoint (0.1,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54415,7 +54431,7 @@ iteration 10: trace = 0.3009297177018309 (7.18493e-11% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0721945, 0.543799 -elapsed time for k point: 0.00579833984375 +elapsed time for k point: 0.005800008773803711 solve_kpoint (0.2,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. @@ -54440,7 +54456,7 @@ iteration 10: trace = 0.2969598361818409 (3.30121e-11% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.141724, 0.526188 -elapsed time for k point: 0.005774974822998047 +elapsed time for k point: 0.005784034729003906 solve_kpoint (0.3,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. @@ -54465,7 +54481,7 @@ iteration 10: trace = 0.2926449175807007 (3.41438e-12% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.204809, 0.500698 -elapsed time for k point: 0.0058019161224365234 +elapsed time for k point: 0.005792140960693359 solve_kpoint (0.4,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54488,7 +54504,7 @@ iteration 9: trace = 0.2895143959121311 (5.67547e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.254113, 0.474279 -elapsed time for k point: 0.005242347717285156 +elapsed time for k point: 0.005212068557739258 solve_kpoint (0.5,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54509,7 +54525,7 @@ iteration 8: trace = 0.2883886767737718 (2.70252e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.274582, 0.461512 -elapsed time for k point: 0.004713296890258789 +elapsed time for k point: 0.004693746566772461 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -54530,7 +54546,7 @@ iteration 8: trace = 0.2982086196943483 (6.44075e-12% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.278369, 0.469808 -elapsed time for k point: 0.004712820053100586 +elapsed time for k point: 0.004702329635620117 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54551,7 +54567,7 @@ iteration 8: trace = 0.3264979228223415 (2.75092e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.288519, 0.493208 -elapsed time for k point: 0.0046939849853515625 +elapsed time for k point: 0.00468897819519043 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -54572,7 +54588,7 @@ iteration 8: trace = 0.3690664173180317 (8.32066e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.301662, 0.52732 -elapsed time for k point: 0.0047075748443603516 +elapsed time for k point: 0.00469970703125 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -54597,7 +54613,7 @@ iteration 10: trace = 0.4155447999210046 (6.19841e-12% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.312941, 0.563571 -elapsed time for k point: 0.005756855010986328 +elapsed time for k point: 0.005769252777099609 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. @@ -54622,7 +54638,7 @@ iteration 10: trace = 0.4398182199057518 (3.14904e-11% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.317444, 0.582278 -elapsed time for k point: 0.005766153335571289 +elapsed time for k point: 0.005755901336669922 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54661,7 +54677,7 @@ iteration 17: trace = 0.4024754384446911 (9.03404e-12% change) Finished solving for bands 1 to 2 after 17 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.307036, 0.555161 -elapsed time for k point: 0.009474992752075195 +elapsed time for k point: 0.009468317031860352 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54684,7 +54700,7 @@ iteration 9: trace = 0.3476919187043958 (5.95198e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.267668, 0.5254 -elapsed time for k point: 0.005259275436401367 +elapsed time for k point: 0.005228519439697266 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54709,7 +54725,7 @@ iteration 10: trace = 0.312470185923318 (7.10611e-12% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.194886, 0.523918 -elapsed time for k point: 0.00576019287109375 +elapsed time for k point: 0.005751132965087891 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. @@ -54734,7 +54750,7 @@ iteration 10: trace = 0.3014386377955977 (5.15631e-11% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.101494, 0.539572 -elapsed time for k point: 0.00583958625793457 +elapsed time for k point: 0.005783796310424805 solve_kpoint (0,0,0): Solving for bands 2 to 2... linmin: converged after 5 iterations. @@ -54763,15 +54779,15 @@ iteration 12: trace = 0.3025956959406537 (2.06198e-11% change) Finished solving for bands 2 to 2 after 12 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.550087 -.elapsed time for k point: 0.00321197509765625 +.elapsed time for k point: 0.0032219886779785156 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.31744412297232155 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4615121898996919 at Vector3<0.5, 0.0, 0.0> to 0.5822778105819286 at Vector3<0.5, 0.5, 0.0> Gap from band 1 (0.31744412297232155) to band 2 (0.4615121898996919), 36.990024869608185% -total elapsed time for run: 0.08790326118469238 +total elapsed time for run: 0.08769059181213379 done -/tmp/meepZVgGID/test_maximize_first_tm_gap-0: 0.37s +/tmp/meepWDyqgO/test_maximize_first_tm_gap-0: 0.37s -/tmp/meepZVgGID/test_multiply_bloch_in_mpb_data-0 +/tmp/meepWDyqgO/test_multiply_bloch_in_mpb_data-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -54814,7 +54830,7 @@ 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: 0.0013353824615478516 +elapsed time for initialization: 0.0013604164123535156 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... @@ -54925,7 +54941,7 @@ iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.1411421298980713 +elapsed time for k point: 0.14147591590881348 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -55176,7 +55192,7 @@ iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.3937263488769531 +elapsed time for k point: 0.3943026065826416 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55233,7 +55249,7 @@ iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.08700108528137207 +elapsed time for k point: 0.08694839477539062 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55286,7 +55302,7 @@ iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.08008503913879395 +elapsed time for k point: 0.08015966415405273 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55347,7 +55363,7 @@ iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.09222650527954102 +elapsed time for k point: 0.09270000457763672 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55440,7 +55456,7 @@ iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.14470434188842773 +elapsed time for k point: 0.14472723007202148 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -55511,7 +55527,7 @@ iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.10848093032836914 +elapsed time for k point: 0.11055469512939453 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55572,7 +55588,7 @@ iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.09279632568359375 +elapsed time for k point: 0.09343862533569336 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55625,7 +55641,7 @@ iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.08017110824584961 +elapsed time for k point: 0.08014941215515137 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55677,7 +55693,7 @@ iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.07660508155822754 +elapsed time for k point: 0.07681608200073242 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55729,7 +55745,7 @@ iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.07931065559387207 +elapsed time for k point: 0.07675671577453613 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55770,7 +55786,7 @@ iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.06046175956726074 +elapsed time for k point: 0.06073570251464844 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55817,7 +55833,7 @@ iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.0701284408569336 +elapsed time for k point: 0.07060933113098145 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55880,7 +55896,7 @@ iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.09570860862731934 +elapsed time for k point: 0.09604477882385254 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55953,7 +55969,7 @@ iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.11210751533508301 +elapsed time for k point: 0.11219429969787598 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -56148,7 +56164,7 @@ iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.250779390335083 +elapsed time for k point: 0.2521228790283203 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> @@ -56160,7 +56176,7 @@ Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% -total elapsed time for run: 1.9679126739501953 +total elapsed time for run: 1.9722845554351807 done Fixing e-field (band 8) phase by 2.58922e-07 + 1i; max ampl. = 1.10099 real part range: -1.10098 .. 1.10098 @@ -56209,7 +56225,7 @@ 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: 0.0014019012451171875 +elapsed time for initialization: 0.0014345645904541016 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... @@ -56320,7 +56336,7 @@ iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.14114022254943848 +elapsed time for k point: 0.14197254180908203 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -56571,7 +56587,7 @@ iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.39267492294311523 +elapsed time for k point: 0.39430809020996094 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -56628,7 +56644,7 @@ iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.08595705032348633 +elapsed time for k point: 0.08719873428344727 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -56681,7 +56697,7 @@ iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.0796196460723877 +elapsed time for k point: 0.08015990257263184 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -56742,7 +56758,7 @@ iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.09208297729492188 +elapsed time for k point: 0.09298443794250488 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -56835,7 +56851,7 @@ iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.14420723915100098 +elapsed time for k point: 0.14375543594360352 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -56906,7 +56922,7 @@ iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.10974955558776855 +elapsed time for k point: 0.10962939262390137 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -56967,7 +56983,7 @@ iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.09255194664001465 +elapsed time for k point: 0.09357452392578125 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -57020,7 +57036,7 @@ iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.07968807220458984 +elapsed time for k point: 0.08046460151672363 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -57072,7 +57088,7 @@ iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.07643485069274902 +elapsed time for k point: 0.07632231712341309 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -57124,7 +57140,7 @@ iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.07620739936828613 +elapsed time for k point: 0.07681059837341309 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -57165,7 +57181,7 @@ iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.060530662536621094 +elapsed time for k point: 0.06078457832336426 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -57212,7 +57228,7 @@ iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.07007312774658203 +elapsed time for k point: 0.07072663307189941 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -57275,7 +57291,7 @@ iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.09595632553100586 +elapsed time for k point: 0.09609031677246094 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -57348,7 +57364,7 @@ iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.11203598976135254 +elapsed time for k point: 0.11384892463684082 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -57543,7 +57559,7 @@ iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.24938011169433594 +elapsed time for k point: 0.25156116485595703 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> @@ -57555,7 +57571,7 @@ Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% -total elapsed time for run: 1.9608557224273682 +total elapsed time for run: 1.9727447032928467 done Fixing e-field (band 8) phase by 2.58922e-07 + 1i; max ampl. = 1.10099 real part range: -1.10098 .. 1.10098 @@ -57564,9 +57580,9 @@ imag part range: -0.00766496 .. 0.00870069 real part range: 0 .. 0 imag part range: 0 .. 0 -./tmp/meepZVgGID/test_multiply_bloch_in_mpb_data-0: 3.98s +./tmp/meepWDyqgO/test_multiply_bloch_in_mpb_data-0: 3.99s -/tmp/meepZVgGID/test_multiply_bloch_phase-0 +/tmp/meepWDyqgO/test_multiply_bloch_phase-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -57609,7 +57625,7 @@ 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: 0.0013849735260009766 +elapsed time for initialization: 0.0013599395751953125 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... @@ -57720,7 +57736,7 @@ iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.14158272743225098 +elapsed time for k point: 0.14126825332641602 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -57971,7 +57987,7 @@ iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.3941164016723633 +elapsed time for k point: 0.39684271812438965 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58028,7 +58044,7 @@ iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.08750200271606445 +elapsed time for k point: 0.0866849422454834 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58081,7 +58097,7 @@ iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.08027529716491699 +elapsed time for k point: 0.07991695404052734 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58142,7 +58158,7 @@ iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.0924062728881836 +elapsed time for k point: 0.09282827377319336 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58235,7 +58251,7 @@ iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.1447446346282959 +elapsed time for k point: 0.14432311058044434 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -58306,7 +58322,7 @@ iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.10869860649108887 +elapsed time for k point: 0.10929703712463379 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58367,7 +58383,7 @@ iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.09243249893188477 +elapsed time for k point: 0.09232640266418457 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58420,7 +58436,7 @@ iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.07977628707885742 +elapsed time for k point: 0.07968878746032715 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58472,7 +58488,7 @@ iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.0766139030456543 +elapsed time for k point: 0.07676219940185547 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58524,7 +58540,7 @@ iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.07613825798034668 +elapsed time for k point: 0.07684087753295898 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58565,7 +58581,7 @@ iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.06008505821228027 +elapsed time for k point: 0.06086397171020508 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58612,7 +58628,7 @@ iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.0703892707824707 +elapsed time for k point: 0.0706782341003418 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58675,7 +58691,7 @@ iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.09601163864135742 +elapsed time for k point: 0.09664511680603027 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58748,7 +58764,7 @@ iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.11214709281921387 +elapsed time for k point: 0.11271929740905762 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -58943,7 +58959,7 @@ iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.2505655288696289 +elapsed time for k point: 0.250596284866333 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> @@ -58955,12 +58971,12 @@ Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% -total elapsed time for run: 1.9660215377807617 +total elapsed time for run: 1.9707884788513184 done Fixing e-field (band 8) phase by 2.58922e-07 + 1i; max ampl. = 1.10099 -./tmp/meepZVgGID/test_multiply_bloch_phase-0: 1.97s +./tmp/meepWDyqgO/test_multiply_bloch_phase-0: 1.97s -/tmp/meepZVgGID/test_output_charge_density-0 +/tmp/meepWDyqgO/test_output_charge_density-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -59003,7 +59019,7 @@ 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: 0.0013904571533203125 +elapsed time for initialization: 0.0013980865478515625 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... @@ -59114,7 +59130,7 @@ iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.14149188995361328 +elapsed time for k point: 0.14174866676330566 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -59365,7 +59381,7 @@ iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.39403700828552246 +elapsed time for k point: 0.3958609104156494 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -59422,7 +59438,7 @@ iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.08865571022033691 +elapsed time for k point: 0.08693671226501465 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -59475,7 +59491,7 @@ iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.08110451698303223 +elapsed time for k point: 0.08012008666992188 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -59536,7 +59552,7 @@ iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.09302592277526855 +elapsed time for k point: 0.09289979934692383 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -59629,7 +59645,7 @@ iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.14443039894104004 +elapsed time for k point: 0.14605116844177246 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -59700,7 +59716,7 @@ iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.10927963256835938 +elapsed time for k point: 0.10981917381286621 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -59761,7 +59777,7 @@ iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.09305524826049805 +elapsed time for k point: 0.09368038177490234 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -59814,7 +59830,7 @@ iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.0803227424621582 +elapsed time for k point: 0.08093595504760742 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -59866,7 +59882,7 @@ iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.07662057876586914 +elapsed time for k point: 0.07697033882141113 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -59918,7 +59934,7 @@ iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.076568603515625 +elapsed time for k point: 0.07657027244567871 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -59959,7 +59975,7 @@ iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.06006789207458496 +elapsed time for k point: 0.06038999557495117 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -60006,7 +60022,7 @@ iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.07065129280090332 +elapsed time for k point: 0.0708012580871582 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -60069,7 +60085,7 @@ iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.09584426879882812 +elapsed time for k point: 0.09690999984741211 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -60142,7 +60158,7 @@ iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.1133127212524414 +elapsed time for k point: 0.11301374435424805 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -60337,7 +60353,7 @@ iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.25138163566589355 +elapsed time for k point: 0.2515227794647217 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> @@ -60349,13 +60365,13 @@ Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% -total elapsed time for run: 1.9723820686340332 +total elapsed time for run: 1.9767658710479736 done Fixing e-field (band 8) phase by 2.58922e-07 + 1i; max ampl. = 1.10099 -.Outputting complex scalar field to /tmp/meepZVgGID/test_output_charge_density-0-C.k16.b08.te.h5... -/tmp/meepZVgGID/test_output_charge_density-0: 1.98s +.Outputting complex scalar field to /tmp/meepWDyqgO/test_output_charge_density-0-C.k16.b08.te.h5... +/tmp/meepWDyqgO/test_output_charge_density-0: 1.98s -/tmp/meepZVgGID/test_output_dpwr_in_objects-0 +/tmp/meepWDyqgO/test_output_dpwr_in_objects-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -60398,7 +60414,7 @@ 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: 0.0013592243194580078 +elapsed time for initialization: 0.001363992691040039 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... @@ -60509,12 +60525,12 @@ iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.14139699935913086 +elapsed time for k point: 0.14076709747314453 D-energy-components:, 1, 1, 0, 0, 0 dpwr:, 1, 0.0, 0.0 D-energy-components:, 1, 2, 0.500003, 0.499997, 0 dpwr:, 2, 0.5527092320102546, 0.8567435000049365 -Outputting fields to /tmp/meepZVgGID/test_output_dpwr_in_objects-0-d.k01.b02.te.h5... +Outputting fields to /tmp/meepWDyqgO/test_output_dpwr_in_objects-0-d.k01.b02.te.h5... D-energy-components:, 1, 3, 0.455928, 0.544072, 0 dpwr:, 3, 0.7732265593069426, 0.5288260557983413 D-energy-components:, 1, 4, 0.544076, 0.455924, 0 @@ -60777,7 +60793,7 @@ iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.39269351959228516 +elapsed time for k point: 0.3957068920135498 D-energy-components:, 2, 1, 0.0311142, 0.968886, 0 dpwr:, 1, 0.08973322605272505, 0.04603176933548133 D-energy-components:, 2, 2, 0.488088, 0.511912, 0 @@ -60850,7 +60866,7 @@ iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.08724451065063477 +elapsed time for k point: 0.08754134178161621 D-energy-components:, 3, 1, 0.0363561, 0.963644, 0 dpwr:, 1, 0.17869200446402672, 0.05442207264059689 D-energy-components:, 3, 2, 0.446363, 0.553637, 0 @@ -60919,7 +60935,7 @@ iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.08024096488952637 +elapsed time for k point: 0.08003354072570801 D-energy-components:, 4, 1, 0.0468976, 0.953102, 0 dpwr:, 1, 0.26579760671574704, 0.07189021129298956 D-energy-components:, 4, 2, 0.35602, 0.64398, 0 @@ -60996,7 +61012,7 @@ iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.09208202362060547 +elapsed time for k point: 0.09287309646606445 D-energy-components:, 5, 1, 0.0662302, 0.93377, 0 dpwr:, 1, 0.34895594992452583, 0.10384524472299073 D-energy-components:, 5, 2, 0.226367, 0.773633, 0 @@ -61105,7 +61121,7 @@ iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.14407658576965332 +elapsed time for k point: 0.14426589012145996 D-energy-components:, 6, 1, 0.0773009, 0.922699, 0 dpwr:, 1, 0.4127906712654536, 0.0860399668649528 D-energy-components:, 6, 2, 0.165167, 0.834833, 0 @@ -61192,7 +61208,7 @@ iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.10904598236083984 +elapsed time for k point: 0.10953426361083984 D-energy-components:, 7, 1, 0.12807, 0.87193, 0 dpwr:, 1, 0.4237414613237853, 0.08405292712306052 D-energy-components:, 7, 2, 0.190236, 0.809764, 0 @@ -61269,7 +61285,7 @@ iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.09239649772644043 +elapsed time for k point: 0.09327197074890137 D-energy-components:, 8, 1, 0.253956, 0.746044, 0 dpwr:, 1, 0.4547812725154716, 0.08020083733746218 D-energy-components:, 8, 2, 0.258536, 0.741464, 0 @@ -61338,7 +61354,7 @@ iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.07971405982971191 +elapsed time for k point: 0.08069705963134766 D-energy-components:, 9, 1, 0.353246, 0.646754, 0 dpwr:, 1, 0.47376659593612236, 0.5125827722134951 D-energy-components:, 9, 2, 0.406264, 0.593736, 0 @@ -61406,7 +61422,7 @@ iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.07645249366760254 +elapsed time for k point: 0.07704877853393555 D-energy-components:, 10, 1, 0.450645, 0.549355, 0 dpwr:, 1, 0.4896492003298964, 0.6285469371615308 D-energy-components:, 10, 2, 0.55965, 0.44035, 0 @@ -61474,7 +61490,7 @@ iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.0761721134185791 +elapsed time for k point: 0.07704710960388184 D-energy-components:, 11, 1, 0.500002, 0.499998, 0 dpwr:, 1, 0.4968358647448986, 0.6986360262353924 D-energy-components:, 11, 2, 0.490408, 0.509592, 0 @@ -61531,7 +61547,7 @@ iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.06036496162414551 +elapsed time for k point: 0.060712575912475586 D-energy-components:, 12, 1, 0.500001, 0.499999, 0 dpwr:, 1, 0.4709868954434172, 0.41845731017621085 D-energy-components:, 12, 2, 0.5, 0.5, 0 @@ -61594,7 +61610,7 @@ iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.07023096084594727 +elapsed time for k point: 0.07087516784667969 D-energy-components:, 13, 1, 0.499999, 0.500001, 0 dpwr:, 1, 0.37243467691290166, 0.1223740833813474 D-energy-components:, 13, 2, 0.500002, 0.499998, 0 @@ -61673,7 +61689,7 @@ iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.09582996368408203 +elapsed time for k point: 0.09653353691101074 D-energy-components:, 14, 1, 0.499999, 0.500001, 0 dpwr:, 1, 0.2520880962287429, 0.06537222988460781 D-energy-components:, 14, 2, 0.500003, 0.499997, 0 @@ -61762,7 +61778,7 @@ iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.11208415031433105 +elapsed time for k point: 0.1127324104309082 D-energy-components:, 15, 1, 0.499999, 0.500001, 0 dpwr:, 1, 0.12684106903469342, 0.047952797703298834 D-energy-components:, 15, 2, 0.500003, 0.499997, 0 @@ -61973,12 +61989,12 @@ iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.25115060806274414 +elapsed time for k point: 0.25057554244995117 D-energy-components:, 16, 1, 0, 0, 0 dpwr:, 1, 0.0, 0.0 D-energy-components:, 16, 2, 0.500003, 0.499997, 0 dpwr:, 2, 0.5527092320101995, 0.8567434642230596 -Outputting fields to /tmp/meepZVgGID/test_output_dpwr_in_objects-0-d.k16.b02.te.h5... +Outputting fields to /tmp/meepWDyqgO/test_output_dpwr_in_objects-0-d.k16.b02.te.h5... D-energy-components:, 16, 3, 0.455928, 0.544072, 0 dpwr:, 3, 0.7732265593069766, 0.528826082855366 D-energy-components:, 16, 4, 0.544076, 0.455924, 0 @@ -62002,11 +62018,11 @@ Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% -total elapsed time for run: 2.011984348297119 +total elapsed time for run: 2.0212650299072266 done -/tmp/meepZVgGID/test_output_dpwr_in_objects-0: 2.01s +/tmp/meepWDyqgO/test_output_dpwr_in_objects-0: 2.02s -/tmp/meepZVgGID/test_output_efield_z-0 +/tmp/meepWDyqgO/test_output_efield_z-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -62049,7 +62065,7 @@ 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: 0.0013775825500488281 +elapsed time for initialization: 0.001338958740234375 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... @@ -62185,7 +62201,7 @@ iteration 61: trace = 4.373720851032822 (3.7751e-11% change) Finished solving for bands 2 to 8 after 61 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.546027, 0.552094, 0.552096, 0.812093, 0.854314, 0.951107, 1.08259 -elapsed time for k point: 0.16619658470153809 +elapsed time for k point: 0.1661975383758545 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62236,7 +62252,7 @@ iteration 23: trace = 4.290857263081678 (9.17394e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0643671, 0.518896, 0.552617, 0.579095, 0.812721, 0.852958, 0.941428, 1.04995 -elapsed time for k point: 0.07685136795043945 +elapsed time for k point: 0.07694101333618164 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -62267,7 +62283,7 @@ iteration 13: trace = 4.208307958519128 (3.87494e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.126061, 0.48795, 0.553991, 0.610359, 0.812384, 0.849484, 0.912816, 1.02959 -elapsed time for k point: 0.04431867599487305 +elapsed time for k point: 0.0444035530090332 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62298,7 +62314,7 @@ iteration 13: trace = 4.150444015828805 (1.03574e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.181523, 0.45665, 0.555709, 0.644685, 0.802314, 0.845326, 0.880698, 1.025 -elapsed time for k point: 0.04426860809326172 +elapsed time for k point: 0.04462313652038574 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62329,7 +62345,7 @@ iteration 13: trace = 4.119598598621693 (1.08446e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.224302, 0.429317, 0.557116, 0.682524, 0.772176, 0.842059, 0.865404, 1.0269 -elapsed time for k point: 0.04427528381347656 +elapsed time for k point: 0.04472684860229492 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62360,7 +62376,7 @@ iteration 13: trace = 4.110777242725122 (6.70437e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.241821, 0.417114, 0.557658, 0.713395, 0.741311, 0.84083, 0.862516, 1.02856 -elapsed time for k point: 0.0441439151763916 +elapsed time for k point: 0.044609785079956055 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62389,7 +62405,7 @@ iteration 12: trace = 4.0994899642748 (2.50237e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.245235, 0.4236, 0.551085, 0.711571, 0.749855, 0.841982, 0.862609, 1.01714 -elapsed time for k point: 0.04111957550048828 +elapsed time for k point: 0.041413307189941406 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62416,7 +62432,7 @@ iteration 11: trace = 4.079452895803481 (8.21893e-11% change) Finished solving for bands 1 to 8 after 11 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.25442, 0.441321, 0.535034, 0.706018, 0.772267, 0.845818, 0.862861, 0.989395 -elapsed time for k point: 0.03831052780151367 +elapsed time for k point: 0.03821992874145508 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62445,7 +62461,7 @@ iteration 12: trace = 4.068759276129136 (1.19842e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.266397, 0.465222, 0.516482, 0.697068, 0.802974, 0.853388, 0.863228, 0.954203 -elapsed time for k point: 0.040970802307128906 +elapsed time for k point: 0.04126143455505371 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62478,7 +62494,7 @@ iteration 14: trace = 4.075526949349669 (2.6108e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.276774, 0.48701, 0.501823, 0.687264, 0.837704, 0.86397, 0.865932, 0.916273 -elapsed time for k point: 0.0474853515625 +elapsed time for k point: 0.047590017318725586 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62513,7 +62529,7 @@ iteration 15: trace = 4.092150433618236 (9.14191e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.280948, 0.496196, 0.496197, 0.682617, 0.859474, 0.878316, 0.878316, 0.879351 -elapsed time for k point: 0.05077695846557617 +elapsed time for k point: 0.05118370056152344 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62550,7 +62566,7 @@ iteration 16: trace = 4.046652183676483 (2.1312e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.27141, 0.485365, 0.501693, 0.689111, 0.830636, 0.844978, 0.893706, 0.898991 -elapsed time for k point: 0.054276466369628906 +elapsed time for k point: 0.05406498908996582 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -62579,7 +62595,7 @@ iteration 12: trace = 4.044513236396847 (3.21935e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.236529, 0.473888, 0.515941, 0.679199, 0.819377, 0.829518, 0.897603, 0.933446 -elapsed time for k point: 0.04093050956726074 +elapsed time for k point: 0.040984153747558594 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -62608,7 +62624,7 @@ iteration 12: trace = 4.11341525975549 (2.54357e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.172884, 0.482973, 0.533242, 0.640233, 0.819202, 0.838111, 0.910409, 0.976551 -elapsed time for k point: 0.04078221321105957 +elapsed time for k point: 0.04123115539550781 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62641,7 +62657,7 @@ iteration 14: trace = 4.240749642028246 (2.10067e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0904174, 0.510404, 0.546943, 0.593803, 0.81373, 0.851132, 0.935551, 1.02882 -elapsed time for k point: 0.047843217849731445 +elapsed time for k point: 0.04766488075256348 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. @@ -62773,7 +62789,7 @@ iteration 59: trace = 4.373720851594072 (8.81331e-11% change) Finished solving for bands 2 to 8 after 59 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.546027, 0.552094, 0.552096, 0.812093, 0.854314, 0.951107, 1.08259 -elapsed time for k point: 0.16013479232788086 +elapsed time for k point: 0.16083478927612305 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.28094795352537366 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4171142493246621 at Vector3<0.5, 0.0, 0.0> to 0.5460267793370297 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.49619745276546057 at Vector3<0.5, 0.5, 0.0> to 0.5576576362977227 at Vector3<0.5, 0.0, 0.0> @@ -62784,13 +62800,13 @@ Band 8 range: 0.8793510958294796 at Vector3<0.5, 0.5, 0.0> to 1.0825923841449998 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.28094795352537366) to band 2 (0.4171142493246621), 39.0126539564386% Gap from band 4 (0.7133951516423509) to band 5 (0.7413109657068668), 3.8380005049245893% -total elapsed time for run: 0.9852046966552734 +total elapsed time for run: 0.9884052276611328 done Fixing e-field (band 8) phase by 2.441e-08 + -1i; max ampl. = 1.49941 -FOutputting fields to /tmp/meepZVgGID/test_output_efield_z-0-e.k16.b08.z.tm.h5... -/tmp/meepZVgGID/test_output_efield_z-0: 0.99s +FOutputting fields to /tmp/meepWDyqgO/test_output_efield_z-0-e.k16.b08.z.tm.h5... +/tmp/meepWDyqgO/test_output_efield_z-0: 0.99s -/tmp/meepZVgGID/test_output_field_to_file-0 +/tmp/meepWDyqgO/test_output_field_to_file-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -62833,7 +62849,7 @@ 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: 0.0013768672943115234 +elapsed time for initialization: 0.0013427734375 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... @@ -62944,7 +62960,7 @@ iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.14023852348327637 +elapsed time for k point: 0.1433734893798828 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -63195,7 +63211,7 @@ iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.39371609687805176 +elapsed time for k point: 0.3967607021331787 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63252,7 +63268,7 @@ iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.08695054054260254 +elapsed time for k point: 0.08793950080871582 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63305,7 +63321,7 @@ iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.08009886741638184 +elapsed time for k point: 0.08177804946899414 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63366,7 +63382,7 @@ iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.09314632415771484 +elapsed time for k point: 0.09604549407958984 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63459,7 +63475,7 @@ iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.14436817169189453 +elapsed time for k point: 0.14769339561462402 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -63530,7 +63546,7 @@ iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.10898995399475098 +elapsed time for k point: 0.11167645454406738 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63591,7 +63607,7 @@ iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.09322333335876465 +elapsed time for k point: 0.09502792358398438 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63644,7 +63660,7 @@ iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.08035778999328613 +elapsed time for k point: 0.08446049690246582 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63696,7 +63712,7 @@ iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.07645273208618164 +elapsed time for k point: 0.07958221435546875 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63748,7 +63764,7 @@ iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.07634758949279785 +elapsed time for k point: 0.07933688163757324 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63789,7 +63805,7 @@ iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.06050300598144531 +elapsed time for k point: 0.06345224380493164 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63836,7 +63852,7 @@ iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.07050561904907227 +elapsed time for k point: 0.0723116397857666 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63899,7 +63915,7 @@ iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.09594511985778809 +elapsed time for k point: 0.098052978515625 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63972,7 +63988,7 @@ iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.11248636245727539 +elapsed time for k point: 0.11618971824645996 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -64167,7 +64183,7 @@ iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.24825143814086914 +elapsed time for k point: 0.2609856128692627 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> @@ -64179,13 +64195,13 @@ Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% -total elapsed time for run: 1.9640896320343018 +total elapsed time for run: 2.0173072814941406 done epsilon: 1-12, mean 2.38229, harm. mean 1.1448, 14.5508% > 1, 12.5663% "fill" -.Outputting /tmp/meepZVgGID/test_output_field_to_file-0-epsilon.h5... -/tmp/meepZVgGID/test_output_field_to_file-0: 1.98s +.Outputting /tmp/meepWDyqgO/test_output_field_to_file-0-epsilon.h5... +/tmp/meepWDyqgO/test_output_field_to_file-0: 2.03s -/tmp/meepZVgGID/test_output_tot_pwr-0 +/tmp/meepWDyqgO/test_output_tot_pwr-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -64228,7 +64244,7 @@ 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: 0.0013425350189208984 +elapsed time for initialization: 0.0013592243194580078 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... @@ -64339,7 +64355,7 @@ iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.1398768424987793 +elapsed time for k point: 0.1486504077911377 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -64590,7 +64606,7 @@ iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.39654994010925293 +elapsed time for k point: 0.4221358299255371 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -64647,7 +64663,7 @@ iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.08690738677978516 +elapsed time for k point: 0.09151220321655273 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -64700,7 +64716,7 @@ iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.07996964454650879 +elapsed time for k point: 0.08487486839294434 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -64761,7 +64777,7 @@ iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.09283447265625 +elapsed time for k point: 0.09569525718688965 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -64854,7 +64870,7 @@ iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.14404082298278809 +elapsed time for k point: 0.14843249320983887 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -64925,7 +64941,7 @@ iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.11030745506286621 +elapsed time for k point: 0.11252212524414062 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -64986,7 +65002,7 @@ iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.0955810546875 +elapsed time for k point: 0.09778475761413574 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -65039,7 +65055,7 @@ iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.08024787902832031 +elapsed time for k point: 0.08460474014282227 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -65091,7 +65107,7 @@ iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.0762937068939209 +elapsed time for k point: 0.07902717590332031 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -65143,7 +65159,7 @@ iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.07599782943725586 +elapsed time for k point: 0.0784754753112793 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -65184,7 +65200,7 @@ iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.06211972236633301 +elapsed time for k point: 0.06162142753601074 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -65231,7 +65247,7 @@ iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.07010340690612793 +elapsed time for k point: 0.07163190841674805 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -65294,7 +65310,7 @@ iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.11400485038757324 +elapsed time for k point: 0.0989389419555664 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -65367,7 +65383,7 @@ iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.16131329536437988 +elapsed time for k point: 0.11879801750183105 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -65562,7 +65578,7 @@ iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.4478929042816162 +elapsed time for k point: 0.2673220634460449 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> @@ -65574,16 +65590,16 @@ Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% -total elapsed time for run: 2.2365057468414307 +total elapsed time for run: 2.064812660217285 done D-energy-components:, 16, 8, 0.499991, 0.500009, 0 B-energy-components:, 16, 8, 0, 0, 1 -Outputting /tmp/meepZVgGID/test_output_tot_pwr-0-tot.rpwr.k16.b08.te.h5... +Outputting /tmp/meepWDyqgO/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/meepZVgGID/test_output_tot_pwr-0: 2.25s +./tmp/meepWDyqgO/test_output_tot_pwr-0: 2.07s -/tmp/meepZVgGID/test_point_defect_state-0 +/tmp/meepWDyqgO/test_point_defect_state-0 ======================== Initializing eigensolver data Computing 50 bands with 1e-12 tolerance @@ -65661,7 +65677,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.05385613441467285 +elapsed time for initialization: 0.030132770538330078 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... @@ -66500,11 +66516,11 @@ Finished solving for bands 41 to 50 after 65 iterations. Finished k-point with 80 mean iterations/band. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.0904454, 0.0904609, 0.0904609, 0.0944816, 0.190067, 0.190067, 0.190067, 0.190068, 0.19007, 0.190245, 0.190245, 0.203237, 0.237196, 0.237298, 0.237298, 0.240872, 0.246066, 0.246066, 0.246066, 0.257408, 0.267453, 0.26748, 0.26748, 0.279812, 0.3773, 0.423294, 0.423305, 0.426098, 0.426099, 0.460406, 0.460406, 0.460407, 0.460423, 0.460426, 0.46271, 0.462711, 0.465484, 0.465538, 0.469456, 0.469457, 0.469856, 0.474575, 0.480164, 0.480164, 0.490505, 0.499359, 0.49936, 0.511689, 0.51273, 0.51273 -elapsed time for k point: 31.643516540527344 -total elapsed time for run: 31.69756031036377 +elapsed time for k point: 36.39035773277283 +total elapsed time for run: 36.42068791389465 done Fixing e-field (band 25) phase by -0.24413 + -0.969743i; max ampl. = 0.816569 -Outputting fields to /tmp/meepZVgGID/test_point_defect_state-0-e.k01.b25.z.tm.h5... +Outputting fields to /tmp/meepWDyqgO/test_point_defect_state-0-e.k01.b25.z.tm.h5... Fixing d-field (band 25) phase by -1 + 2.70339e-07i; max ampl. = 3.30563 D-energy-components:, 1, 25, 0, 0, 1 Initializing eigensolver data @@ -66584,7 +66600,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.0065746307373046875 +elapsed time for initialization: 0.006618499755859375 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -66958,8 +66974,8 @@ iteration 159: trace = 0.0004139236165391716 (6.13014e-07% change) Finished solving for bands 1 to 1 after 159 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.3773 -elapsed time for k point: 0.7485630512237549 -total elapsed time for run: 0.7552287578582764 +elapsed time for k point: 0.710646390914917 +total elapsed time for run: 0.7173495292663574 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -67039,7 +67055,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.0064487457275390625 +elapsed time for initialization: 0.006441831588745117 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -67413,8 +67429,8 @@ iteration 159: trace = 0.0004139236165391716 (6.13014e-07% change) Finished solving for bands 1 to 1 after 159 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.3773 -elapsed time for k point: 0.7274460792541504 -total elapsed time for run: 0.7339766025543213 +elapsed time for k point: 0.7132439613342285 +total elapsed time for run: 0.7197592258453369 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -67494,7 +67510,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.006524085998535156 +elapsed time for initialization: 0.006537914276123047 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -67939,8 +67955,8 @@ iteration 187: trace = 0.001795102514608244 (4.93546e-07% change) Finished solving for bands 1 to 1 after 187 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.282209 -elapsed time for k point: 0.8609588146209717 -total elapsed time for run: 0.8675572872161865 +elapsed time for k point: 0.8356513977050781 +total elapsed time for run: 0.8422584533691406 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -68020,7 +68036,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.0065097808837890625 +elapsed time for initialization: 0.006531238555908203 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -68353,8 +68369,8 @@ iteration 144: trace = 0.0009724596426331552 (7.79286e-07% change) Finished solving for bands 1 to 1 after 144 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.301374 -elapsed time for k point: 0.6583983898162842 -total elapsed time for run: 0.6649835109710693 +elapsed time for k point: 0.6392965316772461 +total elapsed time for run: 0.645899772644043 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -68434,7 +68450,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.00648808479309082 +elapsed time for initialization: 0.006548881530761719 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -68735,8 +68751,8 @@ iteration 130: trace = 0.0004433872992476595 (9.26877e-07% change) Finished solving for bands 1 to 1 after 130 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.317732 -elapsed time for k point: 0.5753135681152344 -total elapsed time for run: 0.5818731784820557 +elapsed time for k point: 0.5786459445953369 +total elapsed time for run: 0.5852651596069336 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -68816,7 +68832,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.006558656692504883 +elapsed time for initialization: 0.006532907485961914 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -69151,8 +69167,8 @@ iteration 142: trace = 0.0007053630328314389 (5.34148e-07% change) Finished solving for bands 1 to 1 after 142 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.308953 -elapsed time for k point: 0.6276814937591553 -total elapsed time for run: 0.634314775466919 +elapsed time for k point: 0.6339678764343262 +total elapsed time for run: 0.6405694484710693 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -69232,7 +69248,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.006484270095825195 +elapsed time for initialization: 0.006526947021484375 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -69557,8 +69573,8 @@ iteration 139: trace = 0.0005431761082614662 (6.45213e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314172 -elapsed time for k point: 0.6167778968811035 -total elapsed time for run: 0.6233365535736084 +elapsed time for k point: 0.620924711227417 +total elapsed time for run: 0.6275410652160645 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -69638,7 +69654,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.0064640045166015625 +elapsed time for initialization: 0.006516218185424805 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -69962,8 +69978,8 @@ iteration 138: trace = 0.0006236677264374833 (9.3341e-07% change) Finished solving for bands 1 to 1 after 138 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.311508 -elapsed time for k point: 0.6198079586029053 -total elapsed time for run: 0.6263489723205566 +elapsed time for k point: 0.6159958839416504 +total elapsed time for run: 0.6225779056549072 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -70043,7 +70059,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.006720542907714844 +elapsed time for initialization: 0.006535053253173828 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -70367,8 +70383,8 @@ iteration 139: trace = 0.0005435712197209179 (7.00716e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159 -elapsed time for k point: 0.6242485046386719 -total elapsed time for run: 0.6310484409332275 +elapsed time for k point: 0.618898868560791 +total elapsed time for run: 0.6255018711090088 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -70448,7 +70464,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.006520509719848633 +elapsed time for initialization: 0.006539106369018555 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -70766,8 +70782,8 @@ iteration 136: trace = 0.00058342219538993 (7.83825e-07% change) Finished solving for bands 1 to 1 after 136 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.31282 -elapsed time for k point: 0.611283540725708 -total elapsed time for run: 0.6178793907165527 +elapsed time for k point: 0.6070010662078857 +total elapsed time for run: 0.6136059761047363 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -70847,7 +70863,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.006506919860839844 +elapsed time for initialization: 0.006519794464111328 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -71171,8 +71187,8 @@ iteration 139: trace = 0.000543571492165385 (7.00912e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159 -elapsed time for k point: 0.6185393333435059 -total elapsed time for run: 0.6251220703125 +elapsed time for k point: 0.6196260452270508 +total elapsed time for run: 0.6262154579162598 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -71252,7 +71268,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.006511211395263672 +elapsed time for initialization: 0.006495952606201172 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -71586,8 +71602,8 @@ iteration 145: trace = 0.0005634408794977984 (4.83408e-07% change) Finished solving for bands 1 to 1 after 145 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.313486 -elapsed time for k point: 0.6420316696166992 -total elapsed time for run: 0.6486186981201172 +elapsed time for k point: 0.6415688991546631 +total elapsed time for run: 0.6481337547302246 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -71667,7 +71683,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.006518363952636719 +elapsed time for initialization: 0.0065386295318603516 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -71991,8 +72007,8 @@ iteration 139: trace = 0.0005435714922125603 (7.00912e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159 -elapsed time for k point: 0.6174075603485107 -total elapsed time for run: 0.6240007877349854 +elapsed time for k point: 0.6166660785675049 +total elapsed time for run: 0.6232709884643555 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -72072,7 +72088,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.006484270095825195 +elapsed time for initialization: 0.006506919860839844 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -72395,8 +72411,8 @@ iteration 138: trace = 0.0005534916950358864 (8.96799e-07% change) Finished solving for bands 1 to 1 after 138 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.313822 -elapsed time for k point: 0.6123716831207275 -total elapsed time for run: 0.6189315319061279 +elapsed time for k point: 0.6166701316833496 +total elapsed time for run: 0.6232457160949707 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -72476,7 +72492,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.006479024887084961 +elapsed time for initialization: 0.006541252136230469 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -72800,8 +72816,8 @@ iteration 139: trace = 0.0005435714922129098 (7.00912e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159 -elapsed time for k point: 0.6139912605285645 -total elapsed time for run: 0.620542049407959 +elapsed time for k point: 0.6201679706573486 +total elapsed time for run: 0.6267719268798828 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -72881,7 +72897,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.0064678192138671875 +elapsed time for initialization: 0.006413698196411133 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -73205,12 +73221,12 @@ iteration 139: trace = 0.0005435714922129098 (7.00912e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159 -.elapsed time for k point: 0.6111152172088623 -total elapsed time for run: 0.6176538467407227 +.elapsed time for k point: 0.6185746192932129 +total elapsed time for run: 0.6250565052032471 done -/tmp/meepZVgGID/test_point_defect_state-0: 42.21s +/tmp/meepWDyqgO/test_point_defect_state-0: 46.85s -/tmp/meepZVgGID/test_poynting-0 +/tmp/meepWDyqgO/test_poynting-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -73253,7 +73269,7 @@ 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: 0.0013930797576904297 +elapsed time for initialization: 0.001352548599243164 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... @@ -73364,7 +73380,7 @@ iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.14080595970153809 +elapsed time for k point: 0.1434314250946045 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -73615,7 +73631,7 @@ iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.39255332946777344 +elapsed time for k point: 0.3953878879547119 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -73672,7 +73688,7 @@ iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.08659696578979492 +elapsed time for k point: 0.08785462379455566 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -73725,7 +73741,7 @@ iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.08008027076721191 +elapsed time for k point: 0.08124375343322754 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -73786,7 +73802,7 @@ iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.09305810928344727 +elapsed time for k point: 0.0933389663696289 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -73879,7 +73895,7 @@ iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.14425253868103027 +elapsed time for k point: 0.1450352668762207 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -73950,7 +73966,7 @@ iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.12029266357421875 +elapsed time for k point: 0.10939574241638184 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -74011,7 +74027,7 @@ iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.09256935119628906 +elapsed time for k point: 0.09297490119934082 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -74064,7 +74080,7 @@ iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.07982110977172852 +elapsed time for k point: 0.07983255386352539 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -74116,7 +74132,7 @@ iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.07634639739990234 +elapsed time for k point: 0.0766901969909668 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -74168,15 +74184,15 @@ iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.07599329948425293 -Outputting fields to /tmp/meepZVgGID/test_poynting-0-flux.v.k11.b01.te.h5... -Outputting fields to /tmp/meepZVgGID/test_poynting-0-flux.v.k11.b02.te.h5... -Outputting fields to /tmp/meepZVgGID/test_poynting-0-flux.v.k11.b03.te.h5... -Outputting fields to /tmp/meepZVgGID/test_poynting-0-flux.v.k11.b04.te.h5... -Outputting fields to /tmp/meepZVgGID/test_poynting-0-flux.v.k11.b05.te.h5... -Outputting fields to /tmp/meepZVgGID/test_poynting-0-flux.v.k11.b06.te.h5... -Outputting fields to /tmp/meepZVgGID/test_poynting-0-flux.v.k11.b07.te.h5... -Outputting fields to /tmp/meepZVgGID/test_poynting-0-flux.v.k11.b08.te.h5... +elapsed time for k point: 0.07638072967529297 +Outputting fields to /tmp/meepWDyqgO/test_poynting-0-flux.v.k11.b01.te.h5... +Outputting fields to /tmp/meepWDyqgO/test_poynting-0-flux.v.k11.b02.te.h5... +Outputting fields to /tmp/meepWDyqgO/test_poynting-0-flux.v.k11.b03.te.h5... +Outputting fields to /tmp/meepWDyqgO/test_poynting-0-flux.v.k11.b04.te.h5... +Outputting fields to /tmp/meepWDyqgO/test_poynting-0-flux.v.k11.b05.te.h5... +Outputting fields to /tmp/meepWDyqgO/test_poynting-0-flux.v.k11.b06.te.h5... +Outputting fields to /tmp/meepWDyqgO/test_poynting-0-flux.v.k11.b07.te.h5... +Outputting fields to /tmp/meepWDyqgO/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. @@ -74217,7 +74233,7 @@ iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.060281991958618164 +elapsed time for k point: 0.060735464096069336 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -74264,7 +74280,7 @@ iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.07000088691711426 +elapsed time for k point: 0.07043027877807617 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -74327,7 +74343,7 @@ iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.09555292129516602 +elapsed time for k point: 0.0962224006652832 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -74400,7 +74416,7 @@ iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.11160445213317871 +elapsed time for k point: 0.1127007007598877 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -74595,7 +74611,7 @@ iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -..elapsed time for k point: 0.24906635284423828 +..elapsed time for k point: 0.25267672538757324 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> @@ -74607,15 +74623,15 @@ Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% -total elapsed time for run: 2.0885701179504395 +total elapsed time for run: 2.0930707454681396 done -/tmp/meepZVgGID/test_poynting-0: 2.09s +/tmp/meepWDyqgO/test_poynting-0: 2.10s -/tmp/meepZVgGID/test_resolution-0 +/tmp/meepWDyqgO/test_resolution-0 ======================== -/tmp/meepZVgGID/test_resolution-0: 0.00s +/tmp/meepWDyqgO/test_resolution-0: 0.00s -/tmp/meepZVgGID/test_run_te-0 +/tmp/meepWDyqgO/test_run_te-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -74658,7 +74674,7 @@ 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: 0.0013468265533447266 +elapsed time for initialization: 0.0013396739959716797 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... @@ -74769,7 +74785,7 @@ iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.14706897735595703 +elapsed time for k point: 0.14287304878234863 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -75020,7 +75036,7 @@ iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.39206528663635254 +elapsed time for k point: 0.3961508274078369 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -75077,7 +75093,7 @@ iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.08668327331542969 +elapsed time for k point: 0.0872194766998291 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -75130,7 +75146,7 @@ iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.07965373992919922 +elapsed time for k point: 0.07996654510498047 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -75191,7 +75207,7 @@ iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.09218120574951172 +elapsed time for k point: 0.09311151504516602 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -75284,7 +75300,7 @@ iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.14406299591064453 +elapsed time for k point: 0.14485645294189453 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -75355,7 +75371,7 @@ iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.10897994041442871 +elapsed time for k point: 0.10939741134643555 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -75416,7 +75432,7 @@ iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.09279298782348633 +elapsed time for k point: 0.093170166015625 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -75469,7 +75485,7 @@ iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.07978606224060059 +elapsed time for k point: 0.08038496971130371 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -75521,7 +75537,7 @@ iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.0763249397277832 +elapsed time for k point: 0.07664895057678223 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -75573,7 +75589,7 @@ iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.07616662979125977 +elapsed time for k point: 0.07666778564453125 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -75614,7 +75630,7 @@ iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.060350656509399414 +elapsed time for k point: 0.06076955795288086 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -75661,7 +75677,7 @@ iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.06993579864501953 +elapsed time for k point: 0.07036828994750977 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -75724,7 +75740,7 @@ iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.09575295448303223 +elapsed time for k point: 0.09656572341918945 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -75797,7 +75813,7 @@ iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.11251282691955566 +elapsed time for k point: 0.11355400085449219 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -75992,7 +76008,7 @@ iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -.elapsed time for k point: 0.2502427101135254 +.elapsed time for k point: 0.25427746772766113 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> @@ -76004,11 +76020,11 @@ Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% -total elapsed time for run: 1.967005729675293 +total elapsed time for run: 1.9784114360809326 done -/tmp/meepZVgGID/test_run_te-0: 1.97s +/tmp/meepWDyqgO/test_run_te-0: 1.98s -/tmp/meepZVgGID/test_run_te_no_geometry-0 +/tmp/meepWDyqgO/test_run_te_no_geometry-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-07 tolerance @@ -76049,7 +76065,7 @@ 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: 0.0009512901306152344 +elapsed time for initialization: 0.0009722709655761719 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... @@ -76072,7 +76088,7 @@ 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: 0.023576736450195312 +elapsed time for k point: 0.023683786392211914 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... near maximum in trace @@ -76082,35 +76098,35 @@ iteration 2: trace = 9.880000004055377 (1.30806e-06% change) Finished solving for bands 1 to 8 after 2 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.1, 0.9, 1.00499, 1.00499, 1.1, 1.34536, 1.34536, 1.48661 -elapsed time for k point: 0.008786916732788086 +elapsed time for k point: 0.008814096450805664 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: 0.005551576614379883 +elapsed time for k point: 0.005600452423095703 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: 0.005506753921508789 +elapsed time for k point: 0.00556492805480957 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 10.48000000000711 (3.43813e-10% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.4, 0.6, 1.07703, 1.07703, 1.16619, 1.16619, 1.4, 1.72047 -elapsed time for k point: 0.00548243522644043 +elapsed time for k point: 0.0055446624755859375 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 10.99999999989867 (8.97997e-10% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.5, 0.5, 1.11803, 1.11803, 1.11803, 1.11803, 1.5, 1.80278 -elapsed time for k point: 0.005527973175048828 +elapsed time for k point: 0.005656719207763672 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... near maximum in trace @@ -76120,7 +76136,7 @@ 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: 0.00873112678527832 +elapsed time for k point: 0.008876800537109375 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... near maximum in trace @@ -76130,7 +76146,7 @@ iteration 2: trace = 10.72763986624717 (7.95051e-07% change) Finished solving for bands 1 to 8 after 2 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.538516, 0.566775, 0.956971, 0.9598, 1.3061, 1.30974, 1.52004, 1.59611 -elapsed time for k point: 0.008804082870483398 +elapsed time for k point: 0.008969783782958984 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -76151,21 +76167,21 @@ iteration 8: trace = 10.7200001769306 (3.99177e-06% change) Finished solving for bands 1 to 8 after 8 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.583095, 0.583095, 0.860233, 0.860233, 1.39284, 1.39284, 1.52971, 1.52971 -elapsed time for k point: 0.027925491333007812 +elapsed time for k point: 0.02846670150756836 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: 0.005558967590332031 +elapsed time for k point: 0.005607128143310547 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: 0.00550532341003418 +elapsed time for k point: 0.005532979965209961 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... near maximum in trace @@ -76327,35 +76343,35 @@ iteration 77: trace = 10.96000007994673 (2.13035e-06% change) Finished solving for bands 1 to 8 after 77 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.565685, 0.72111, 0.72111, 0.848528, 1.45602, 1.45602, 1.52315, 1.52315 -elapsed time for k point: 0.2503702640533447 +elapsed time for k point: 0.25209474563598633 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: 0.005528926849365234 +elapsed time for k point: 0.005569934844970703 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 9.840000001756971 (1.78163e-07% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.282843, 0.824621, 0.824621, 1.13137, 1.21655, 1.21655, 1.44222, 1.44222 -elapsed time for k point: 0.005515336990356445 +elapsed time for k point: 0.005536317825317383 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 9.760000000165837 (2.02392e-08% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.141421, 0.905539, 0.905539, 1.10454, 1.10454, 1.27279, 1.42127, 1.42127 -elapsed time for k point: 0.005535602569580078 +elapsed time for k point: 0.005561113357543945 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 1 iterations. iteration 1: trace = 10.00000000001522 (1.76508e-09% change) Finished solving for bands 2 to 8 after 1 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 1, 1, 1, 1, 1.41421, 1.41421, 1.41421 -.elapsed time for k point: 0.004645347595214844 +.elapsed time for k point: 0.004647254943847656 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.7071067811865476 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.5000000000350691 at Vector3<0.5, 0.0, 0.0> to 1.0000000000464644 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.7071067811884213 at Vector3<0.5, 0.5, 0.0> to 1.1180339887555262 at Vector3<0.5, 0.0, 0.0> @@ -76364,11 +76380,11 @@ Band 6 range: 1.118033988768711 at Vector3<0.5, 0.0, 0.0> to 1.581138830085848 at Vector3<0.5, 0.5, 0.0> Band 7 range: 1.2806248475164035 at Vector3<0.2, 0.0, 0.0> to 1.581138830089242 at Vector3<0.5, 0.5, 0.0> Band 8 range: 1.4142135623752834 at Vector3<0.0, 0.0, 0.0> to 1.802775637652445 at Vector3<0.5, 0.0, 0.0> -total elapsed time for run: 0.38460254669189453 +total elapsed time for run: 0.3877997398376465 done -/tmp/meepZVgGID/test_run_te_no_geometry-0: 0.39s +/tmp/meepWDyqgO/test_run_te_no_geometry-0: 0.39s -/tmp/meepZVgGID/test_run_te_with_mu_material-0 +/tmp/meepWDyqgO/test_run_te_with_mu_material-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -76412,7 +76428,7 @@ 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: 0.0019497871398925781 +elapsed time for initialization: 0.001924276351928711 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... @@ -76830,7 +76846,7 @@ iteration 204: trace = 6.85430077095844 (9.14962e-11% change) Finished solving for bands 2 to 8 after 204 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.669987, 0.783178, 0.78318, 0.965522, 1.18154, 1.18154, 1.20597 -elapsed time for k point: 1.0393478870391846 +elapsed time for k point: 1.056781530380249 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -77198,7 +77214,7 @@ iteration 152: trace = 6.791967496513665 (8.54575e-11% change) Finished solving for bands 1 to 8 after 152 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0813996, 0.654814, 0.784954, 0.787051, 0.973107, 1.147, 1.15475, 1.23489 -elapsed time for k point: 0.9384639263153076 +elapsed time for k point: 0.9534378051757812 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -77448,7 +77464,7 @@ iteration 106: trace = 6.760812143880038 (7.634e-11% change) Finished solving for bands 1 to 8 after 106 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.161634, 0.615231, 0.789764, 0.798457, 0.982219, 1.11674, 1.12242, 1.27406 -elapsed time for k point: 0.6552245616912842 +elapsed time for k point: 0.6661593914031982 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -77675,7 +77691,7 @@ iteration 101: trace = 6.801884535649821 (4.13933e-11% change) Finished solving for bands 1 to 8 after 101 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.238847, 0.561888, 0.796082, 0.816438, 0.967926, 1.09564, 1.12526, 1.31351 -elapsed time for k point: 0.6297810077667236 +elapsed time for k point: 0.6362662315368652 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -78246,7 +78262,7 @@ iteration 276: trace = 6.680068177089201 (8.90696e-11% change) Finished solving for bands 1 to 8 after 276 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.307852, 0.505558, 0.80155, 0.837884, 0.938877, 1.07767, 1.16248, 1.26133 -elapsed time for k point: 1.7087888717651367 +elapsed time for k point: 1.7299208641052246 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -78407,7 +78423,7 @@ iteration 77: trace = 6.642769244576151 (8.15473e-11% change) Finished solving for bands 1 to 8 after 77 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.344122, 0.473282, 0.803737, 0.850595, 0.922321, 1.07128, 1.20345, 1.21829 -elapsed time for k point: 0.49337291717529297 +elapsed time for k point: 0.4878237247467041 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -78591,7 +78607,7 @@ iteration 87: trace = 6.663505677515312 (7.37227e-11% change) Finished solving for bands 1 to 8 after 87 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.349806, 0.482366, 0.768987, 0.886345, 0.90475, 1.06612, 1.21866, 1.22114 -elapsed time for k point: 0.5469558238983154 +elapsed time for k point: 0.5507349967956543 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -78803,7 +78819,7 @@ iteration 102: trace = 6.708845621696623 (9.64852e-11% change) Finished solving for bands 1 to 8 after 102 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.365505, 0.508431, 0.720714, 0.859475, 0.938003, 1.05964, 1.21894, 1.25305 -elapsed time for k point: 0.6442246437072754 +elapsed time for k point: 0.6421079635620117 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -79058,7 +79074,7 @@ iteration 123: trace = 6.740400274229645 (8.9959e-11% change) Finished solving for bands 1 to 8 after 123 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.387171, 0.548256, 0.676549, 0.800668, 0.989113, 1.05673, 1.21445, 1.27327 -elapsed time for k point: 0.7556970119476318 +elapsed time for k point: 0.7757151126861572 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -79744,7 +79760,7 @@ iteration 331: trace = 6.638733455480923 (4.0163e-11% change) Finished solving for bands 1 to 8 after 331 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.407624, 0.596325, 0.643243, 0.739976, 1.03397, 1.05588, 1.19281, 1.24454 -elapsed time for k point: 2.0234131813049316 +elapsed time for k point: 2.0763981342315674 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -79889,7 +79905,7 @@ iteration 69: trace = 6.611072637361785 (7.57315e-11% change) Finished solving for bands 1 to 8 after 69 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.416529, 0.630179, 0.63018, 0.701793, 1.05575, 1.05575, 1.17509, 1.24128 -elapsed time for k point: 0.43033623695373535 +elapsed time for k point: 0.4366028308868408 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -80096,7 +80112,7 @@ iteration 99: trace = 6.660936714441473 (9.18989e-11% change) Finished solving for bands 1 to 8 after 99 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.39535, 0.591668, 0.641198, 0.766761, 1.02252, 1.04927, 1.20755, 1.24532 -elapsed time for k point: 0.6087329387664795 +elapsed time for k point: 0.630002498626709 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -80367,7 +80383,7 @@ iteration 127: trace = 6.720498465555194 (4.76303e-11% change) Finished solving for bands 1 to 8 after 127 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.326025, 0.580731, 0.672069, 0.852808, 0.974388, 1.03211, 1.23516, 1.24808 -elapsed time for k point: 0.7787466049194336 +elapsed time for k point: 0.8122055530548096 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -80622,7 +80638,7 @@ iteration 110: trace = 6.712756811015986 (9.78844e-11% change) Finished solving for bands 1 to 8 after 110 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.226064, 0.606225, 0.716276, 0.861027, 1.00531, 1.00779, 1.22714, 1.22782 -elapsed time for k point: 0.6756706237792969 +elapsed time for k point: 0.7048985958099365 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -80940,7 +80956,7 @@ iteration 132: trace = 6.746817618105011 (1.90226e-11% change) Finished solving for bands 1 to 8 after 132 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.114855, 0.645572, 0.76138, 0.812, 0.980404, 1.09879, 1.19545, 1.21663 -elapsed time for k point: 0.8306224346160889 +elapsed time for k point: 0.834679365158081 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 3 iterations. @@ -81212,7 +81228,7 @@ iteration 132: trace = 6.854300770959935 (9.7431e-11% change) Finished solving for bands 2 to 8 after 132 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.669987, 0.783178, 0.78318, 0.965522, 1.18154, 1.18154, 1.20597 -elapsed time for k point: 0.783698558807373 +elapsed time for k point: 0.6976521015167236 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4165291233037401 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4732823234872291 at Vector3<0.5, 0.0, 0.0> to 0.6699867281290618 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.6301802646818523 at Vector3<0.5, 0.5, 0.0> to 0.8037365323031586 at Vector3<0.5, 0.0, 0.0> @@ -81223,14 +81239,14 @@ Band 8 range: 1.2059728636717484 at Vector3<0.0, 0.0, 0.0> to 1.3135062523605643 at Vector3<0.30000000000000004, 0.0, 0.0> Gap from band 1 (0.4165291233037401) to band 2 (0.4732823234872291), 12.756230634740582% Gap from band 4 (0.8863448167711523) to band 5 (0.9047498485810708), 2.055171305677368% -total elapsed time for run: 13.546156644821167 +total elapsed time for run: 13.694473505020142 done mu: 1-5, mean 1.50265, harm. mean 1.12084, 14.5508% > 1, 12.5663% "fill" -Outputting /tmp/meepZVgGID/test_run_te_with_mu_material-0-mu.h5... +Outputting /tmp/meepWDyqgO/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/meepZVgGID/test_run_te_with_mu_material-0: 13.56s +./tmp/meepWDyqgO/test_run_te_with_mu_material-0: 13.70s -/tmp/meepZVgGID/test_run_tm-0 +/tmp/meepWDyqgO/test_run_tm-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -81273,7 +81289,7 @@ 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: 0.0054547786712646484 +elapsed time for initialization: 0.0013608932495117188 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... @@ -81409,7 +81425,7 @@ iteration 61: trace = 4.373720851032822 (3.7751e-11% change) Finished solving for bands 2 to 8 after 61 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.546027, 0.552094, 0.552096, 0.812093, 0.854314, 0.951107, 1.08259 -elapsed time for k point: 0.21568894386291504 +elapsed time for k point: 0.16910958290100098 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -81460,7 +81476,7 @@ iteration 23: trace = 4.290857263081678 (9.17394e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0643671, 0.518896, 0.552617, 0.579095, 0.812721, 0.852958, 0.941428, 1.04995 -elapsed time for k point: 0.08052468299865723 +elapsed time for k point: 0.07994914054870605 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -81491,7 +81507,7 @@ iteration 13: trace = 4.208307958519128 (3.87494e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.126061, 0.48795, 0.553991, 0.610359, 0.812384, 0.849484, 0.912816, 1.02959 -elapsed time for k point: 0.04908943176269531 +elapsed time for k point: 0.046835899353027344 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -81522,7 +81538,7 @@ iteration 13: trace = 4.150444015828805 (1.03574e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.181523, 0.45665, 0.555709, 0.644685, 0.802314, 0.845326, 0.880698, 1.025 -elapsed time for k point: 0.05604958534240723 +elapsed time for k point: 0.046622276306152344 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -81553,7 +81569,7 @@ iteration 13: trace = 4.119598598621693 (1.08446e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.224302, 0.429317, 0.557116, 0.682524, 0.772176, 0.842059, 0.865404, 1.0269 -elapsed time for k point: 0.04428434371948242 +elapsed time for k point: 0.0462183952331543 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -81584,7 +81600,7 @@ iteration 13: trace = 4.110777242725122 (6.70437e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.241821, 0.417114, 0.557658, 0.713395, 0.741311, 0.84083, 0.862516, 1.02856 -elapsed time for k point: 0.04684853553771973 +elapsed time for k point: 0.04808998107910156 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -81613,7 +81629,7 @@ iteration 12: trace = 4.0994899642748 (2.50237e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.245235, 0.4236, 0.551085, 0.711571, 0.749855, 0.841982, 0.862609, 1.01714 -elapsed time for k point: 0.04094266891479492 +elapsed time for k point: 0.04275178909301758 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -81640,7 +81656,7 @@ iteration 11: trace = 4.079452895803481 (8.21893e-11% change) Finished solving for bands 1 to 8 after 11 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.25442, 0.441321, 0.535034, 0.706018, 0.772267, 0.845818, 0.862861, 0.989395 -elapsed time for k point: 0.03983664512634277 +elapsed time for k point: 0.039376258850097656 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -81669,7 +81685,7 @@ iteration 12: trace = 4.068759276129136 (1.19842e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.266397, 0.465222, 0.516482, 0.697068, 0.802974, 0.853388, 0.863228, 0.954203 -elapsed time for k point: 0.05922293663024902 +elapsed time for k point: 0.04245638847351074 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -81702,7 +81718,7 @@ iteration 14: trace = 4.075526949349669 (2.6108e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.276774, 0.48701, 0.501823, 0.687264, 0.837704, 0.86397, 0.865932, 0.916273 -elapsed time for k point: 0.06786847114562988 +elapsed time for k point: 0.0490419864654541 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -81737,7 +81753,7 @@ iteration 15: trace = 4.092150433618236 (9.14191e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.280948, 0.496196, 0.496197, 0.682617, 0.859474, 0.878316, 0.878316, 0.879351 -elapsed time for k point: 0.07413887977600098 +elapsed time for k point: 0.05253934860229492 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -81774,7 +81790,7 @@ iteration 16: trace = 4.046652183676483 (2.1312e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.27141, 0.485365, 0.501693, 0.689111, 0.830636, 0.844978, 0.893706, 0.898991 -elapsed time for k point: 0.10012388229370117 +elapsed time for k point: 0.055654287338256836 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -81803,7 +81819,7 @@ iteration 12: trace = 4.044513236396847 (3.21935e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.236529, 0.473888, 0.515941, 0.679199, 0.819377, 0.829518, 0.897603, 0.933446 -elapsed time for k point: 0.07925772666931152 +elapsed time for k point: 0.04223752021789551 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -81832,7 +81848,7 @@ iteration 12: trace = 4.11341525975549 (2.54357e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.172884, 0.482973, 0.533242, 0.640233, 0.819202, 0.838111, 0.910409, 0.976551 -elapsed time for k point: 0.07409548759460449 +elapsed time for k point: 0.043448686599731445 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -81865,7 +81881,7 @@ iteration 14: trace = 4.240749642028246 (2.10067e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0904174, 0.510404, 0.546943, 0.593803, 0.81373, 0.851132, 0.935551, 1.02882 -elapsed time for k point: 0.09289979934692383 +elapsed time for k point: 0.04976344108581543 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. @@ -81997,7 +82013,7 @@ iteration 59: trace = 4.373720851594072 (8.81331e-11% change) Finished solving for bands 2 to 8 after 59 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.546027, 0.552094, 0.552096, 0.812093, 0.854314, 0.951107, 1.08259 -.elapsed time for k point: 0.30475759506225586 +.elapsed time for k point: 0.16593074798583984 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.28094795352537366 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4171142493246621 at Vector3<0.5, 0.0, 0.0> to 0.5460267793370297 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.49619745276546057 at Vector3<0.5, 0.5, 0.0> to 0.5576576362977227 at Vector3<0.5, 0.0, 0.0> @@ -82008,11 +82024,11 @@ Band 8 range: 0.8793510958294796 at Vector3<0.5, 0.5, 0.0> to 1.0825923841449998 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.28094795352537366) to band 2 (0.4171142493246621), 39.0126539564386% Gap from band 4 (0.7133951516423509) to band 5 (0.7413109657068668), 3.8380005049245893% -total elapsed time for run: 1.4322364330291748 +total elapsed time for run: 1.0225739479064941 done -/tmp/meepZVgGID/test_run_tm-0: 1.43s +/tmp/meepWDyqgO/test_run_tm-0: 1.02s -/tmp/meepZVgGID/test_set_eigenvectors-0 +/tmp/meepWDyqgO/test_set_eigenvectors-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -82055,7 +82071,7 @@ 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: 0.0014171600341796875 +elapsed time for initialization: 0.0013675689697265625 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... @@ -82166,7 +82182,7 @@ iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.22908449172973633 +elapsed time for k point: 0.1459817886352539 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -82417,7 +82433,7 @@ iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.39823412895202637 +elapsed time for k point: 0.4051933288574219 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -82474,7 +82490,7 @@ iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.08725857734680176 +elapsed time for k point: 0.08929848670959473 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -82527,7 +82543,7 @@ iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.08017325401306152 +elapsed time for k point: 0.08211541175842285 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -82588,7 +82604,7 @@ iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.09259557723999023 +elapsed time for k point: 0.09592556953430176 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -82681,7 +82697,7 @@ iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.14374136924743652 +elapsed time for k point: 0.14879488945007324 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -82752,7 +82768,7 @@ iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.10834503173828125 +elapsed time for k point: 0.11265993118286133 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -82813,7 +82829,7 @@ iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.0922551155090332 +elapsed time for k point: 0.09674906730651855 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -82866,7 +82882,7 @@ iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.07957816123962402 +elapsed time for k point: 0.08288955688476562 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -82918,7 +82934,7 @@ iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.0762476921081543 +elapsed time for k point: 0.07973670959472656 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -82970,7 +82986,7 @@ iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.07593131065368652 +elapsed time for k point: 0.07949352264404297 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -83011,7 +83027,7 @@ iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.06024026870727539 +elapsed time for k point: 0.06201028823852539 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -83058,7 +83074,7 @@ iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.06968569755554199 +elapsed time for k point: 0.07222151756286621 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -83121,7 +83137,7 @@ iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.09793519973754883 +elapsed time for k point: 0.10045671463012695 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -83194,7 +83210,7 @@ iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.1612548828125 +elapsed time for k point: 0.11696839332580566 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -83389,7 +83405,7 @@ iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.4597458839416504 +elapsed time for k point: 0.2580230236053467 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> @@ -83401,7 +83417,7 @@ Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% -total elapsed time for run: 2.3148529529571533 +total elapsed time for run: 2.0311460494995117 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -83443,7 +83459,7 @@ 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: 0.005438327789306641 +elapsed time for initialization: 0.0014433860778808594 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... @@ -83554,7 +83570,7 @@ iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.2602548599243164 +elapsed time for k point: 0.14493632316589355 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -83805,7 +83821,7 @@ iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.7180185317993164 +elapsed time for k point: 0.4096183776855469 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -83862,7 +83878,7 @@ iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.15638422966003418 +elapsed time for k point: 0.08792424201965332 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -83915,7 +83931,7 @@ iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.14987421035766602 +elapsed time for k point: 0.08143019676208496 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -83976,7 +83992,7 @@ iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.1619873046875 +elapsed time for k point: 0.09485793113708496 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -84069,7 +84085,7 @@ iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.2552299499511719 +elapsed time for k point: 0.1496281623840332 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -84140,7 +84156,7 @@ iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.1304912567138672 +elapsed time for k point: 0.11556553840637207 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -84201,7 +84217,7 @@ iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.14655113220214844 +elapsed time for k point: 0.09986591339111328 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -84254,7 +84270,7 @@ iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.1501755714416504 +elapsed time for k point: 0.0842132568359375 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -84306,7 +84322,7 @@ iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.11873221397399902 +elapsed time for k point: 0.0792083740234375 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -84358,7 +84374,7 @@ iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.1381998062133789 +elapsed time for k point: 0.07826852798461914 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -84399,7 +84415,7 @@ iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.10977363586425781 +elapsed time for k point: 0.06143593788146973 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -84446,7 +84462,7 @@ iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.08877325057983398 +elapsed time for k point: 0.07121419906616211 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -84509,7 +84525,7 @@ iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.09562993049621582 +elapsed time for k point: 0.09693717956542969 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -84582,7 +84598,7 @@ iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.11112499237060547 +elapsed time for k point: 0.11540961265563965 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -84777,7 +84793,7 @@ iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.24892115592956543 +elapsed time for k point: 0.26062870025634766 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> @@ -84789,7 +84805,7 @@ Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% -total elapsed time for run: 3.0467095375061035 +total elapsed time for run: 2.033762216567993 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -84831,7 +84847,7 @@ 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: 0.0013692378997802734 +elapsed time for initialization: 0.0013949871063232422 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... @@ -84942,7 +84958,7 @@ iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.14021921157836914 +elapsed time for k point: 0.14487719535827637 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -85193,7 +85209,7 @@ iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.3935563564300537 +elapsed time for k point: 0.40609025955200195 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85250,7 +85266,7 @@ iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.09027481079101562 +elapsed time for k point: 0.08837532997131348 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85303,7 +85319,7 @@ iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.08081841468811035 +elapsed time for k point: 0.0816183090209961 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85364,7 +85380,7 @@ iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.15523529052734375 +elapsed time for k point: 0.09500885009765625 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85457,7 +85473,7 @@ iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.2669556140899658 +elapsed time for k point: 0.15172171592712402 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -85528,7 +85544,7 @@ iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.19862961769104004 +elapsed time for k point: 0.11457252502441406 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85589,7 +85605,7 @@ iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.14960598945617676 +elapsed time for k point: 0.09478259086608887 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85642,7 +85658,7 @@ iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.10447907447814941 +elapsed time for k point: 0.08140993118286133 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85694,7 +85710,7 @@ iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.1035306453704834 +elapsed time for k point: 0.07825374603271484 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85746,7 +85762,7 @@ iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.09549856185913086 +elapsed time for k point: 0.07845330238342285 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85787,7 +85803,7 @@ iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.07838940620422363 +elapsed time for k point: 0.06255102157592773 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85834,7 +85850,7 @@ iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.12738609313964844 +elapsed time for k point: 0.07195758819580078 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85897,7 +85913,7 @@ iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.1743326187133789 +elapsed time for k point: 0.09901738166809082 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85970,7 +85986,7 @@ iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.17571306228637695 +elapsed time for k point: 0.11542367935180664 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -86165,7 +86181,7 @@ iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -.elapsed time for k point: 0.3593893051147461 +.elapsed time for k point: 0.25875091552734375 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> @@ -86177,11 +86193,11 @@ Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% -total elapsed time for run: 2.6965200901031494 +total elapsed time for run: 2.025393009185791 done -/tmp/meepZVgGID/test_set_eigenvectors-0: 8.06s +/tmp/meepWDyqgO/test_set_eigenvectors-0: 6.09s -/tmp/meepZVgGID/test_sq_rods-0 +/tmp/meepWDyqgO/test_sq_rods-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -86224,7 +86240,7 @@ 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: 0.001378774642944336 +elapsed time for initialization: 0.0013985633850097656 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... @@ -86323,7 +86339,7 @@ iteration 46: trace = 5.628864169013057 (5.98182e-11% change) Finished solving for bands 2 to 8 after 46 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.561945, 0.780843, 0.780846, 0.924372, 1.00804, 1.00804, 1.09859 -elapsed time for k point: 0.17693734169006348 +elapsed time for k point: 0.12980890274047852 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 14 iterations. @@ -86602,7 +86618,7 @@ iteration 134: trace = 5.63851519575991 (7.11045e-11% change) Finished solving for bands 1 to 8 after 134 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897998, 0.56021, 0.767785, 0.782438, 0.912603, 1.00889, 1.00949, 1.11586 -elapsed time for k point: 0.4650294780731201 +elapsed time for k point: 0.4512903690338135 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -86661,7 +86677,7 @@ iteration 27: trace = 5.595179271816558 (4.70664e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178853, 0.553301, 0.732522, 0.786672, 0.890463, 1.01386, 1.02078, 1.11301 -elapsed time for k point: 0.089447021484375 +elapsed time for k point: 0.09231162071228027 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -86710,7 +86726,7 @@ iteration 22: trace = 5.577903304673043 (5.97596e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.266124, 0.534865, 0.689376, 0.79205, 0.872926, 1.0209, 1.04285, 1.10753 -elapsed time for k point: 0.07283234596252441 +elapsed time for k point: 0.0746920108795166 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -86769,7 +86785,7 @@ iteration 27: trace = 5.594031416858383 (7.93069e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.349588, 0.49478, 0.658508, 0.796524, 0.862684, 1.02898, 1.07044, 1.10003 -elapsed time for k point: 0.0889439582824707 +elapsed time for k point: 0.09145665168762207 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -86872,7 +86888,7 @@ iteration 48: trace = 5.637414337940057 (7.79876e-11% change) Finished solving for bands 1 to 8 after 48 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.413346, 0.444623, 0.648672, 0.798265, 0.859327, 1.03311, 1.0958, 1.09742 -elapsed time for k point: 0.1639554500579834 +elapsed time for k point: 0.15997076034545898 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -86943,7 +86959,7 @@ iteration 33: trace = 5.518941371312549 (7.7296e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.424298, 0.448983, 0.644549, 0.802551, 0.854853, 0.98984, 1.05831, 1.11679 -elapsed time for k point: 0.10809755325317383 +elapsed time for k point: 0.11321830749511719 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -87002,7 +87018,7 @@ iteration 27: trace = 5.342524465514544 (5.97325e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.455354, 0.461161, 0.63323, 0.814782, 0.834251, 0.934558, 1.01274, 1.12367 -elapsed time for k point: 0.08899569511413574 +elapsed time for k point: 0.09429693222045898 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -87053,7 +87069,7 @@ iteration 23: trace = 5.199556238067979 (9.53848e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.478427, 0.501912, 0.61745, 0.784489, 0.83371, 0.906541, 0.967734, 1.12636 -elapsed time for k point: 0.07636713981628418 +elapsed time for k point: 0.08084440231323242 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -87105,7 +87121,7 @@ iteration 23: trace = 5.110086770190959 (3.55787e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.495605, 0.556867, 0.601739, 0.720584, 0.858432, 0.897772, 0.926611, 1.12762 -elapsed time for k point: 0.07594966888427734 +elapsed time for k point: 0.0789649486541748 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -87155,7 +87171,7 @@ iteration 22: trace = 5.079827770073004 (8.13725e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.503606, 0.594344, 0.594357, 0.679389, 0.883665, 0.895782, 0.895787, 1.12801 -elapsed time for k point: 0.0723409652709961 +elapsed time for k point: 0.07518815994262695 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -87196,7 +87212,7 @@ iteration 18: trace = 5.139784911490271 (2.6802e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.474671, 0.549917, 0.608032, 0.745035, 0.848355, 0.895854, 0.945891, 1.12708 -elapsed time for k point: 0.06007122993469238 +elapsed time for k point: 0.06270861625671387 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -87241,7 +87257,7 @@ iteration 20: trace = 5.3079241743296 (7.07641e-11% change) Finished solving for bands 1 to 8 after 20 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.373254, 0.543225, 0.646251, 0.817389, 0.830457, 0.896516, 1.0176, 1.12198 -elapsed time for k point: 0.06890726089477539 +elapsed time for k point: 0.07073521614074707 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -87298,7 +87314,7 @@ iteration 26: trace = 5.515690777956149 (3.99832e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252369, 0.551073, 0.700804, 0.797552, 0.899586, 0.90339, 1.08791, 1.10099 -elapsed time for k point: 0.08713197708129883 +elapsed time for k point: 0.09097933769226074 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -87373,7 +87389,7 @@ iteration 35: trace = 5.620307970788173 (8.50361e-11% change) Finished solving for bands 1 to 8 after 35 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.12694, 0.558854, 0.755651, 0.785047, 0.909884, 0.968813, 1.04814, 1.11332 -elapsed time for k point: 0.13674521446228027 +elapsed time for k point: 0.12019777297973633 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -87551,7 +87567,7 @@ iteration 85: trace = 5.628864169011917 (5.73409e-11% change) Finished solving for bands 2 to 8 after 85 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.561945, 0.780843, 0.780846, 0.924372, 1.00804, 1.00804, 1.09859 -elapsed time for k point: 0.37337708473205566 +elapsed time for k point: 0.2387697696685791 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.5036058015219018 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.44462291347067495 at Vector3<0.5, 0.0, 0.0> to 0.5943440245519592 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5943566394470327 at Vector3<0.5, 0.5, 0.0> to 0.7808428121911942 at Vector3<0.0, 0.0, 0.0> @@ -87563,7 +87579,7 @@ Gap from band 2 (0.5943440245519592) to band 3 (0.5943566394470327), 0.0021224679106323554% Gap from band 4 (0.8173893719542894) to band 5 (0.8304573822339184), 1.586071064729172% Gap from band 7 (1.0958021492221035) to band 8 (1.097416809585407), 0.14724114588007364% -total elapsed time for run: 2.2076492309570312 +total elapsed time for run: 2.0281167030334473 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -87605,7 +87621,7 @@ 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: 0.005481243133544922 +elapsed time for initialization: 0.0014007091522216797 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... @@ -87682,7 +87698,7 @@ iteration 35: trace = 4.48379827469335 (8.37904e-11% change) Finished solving for bands 2 to 8 after 35 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.550336, 0.561338, 0.56134, 0.822948, 0.868842, 0.965325, 1.08938 -elapsed time for k point: 0.1726369857788086 +elapsed time for k point: 0.10156702995300293 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -87741,7 +87757,7 @@ iteration 27: trace = 4.398155533647456 (5.80587e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0651416, 0.525004, 0.561885, 0.586307, 0.823536, 0.867346, 0.954632, 1.05688 -elapsed time for k point: 0.1255652904510498 +elapsed time for k point: 0.09433197975158691 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -87772,7 +87788,7 @@ iteration 13: trace = 4.31446585571558 (1.70864e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.127665, 0.49365, 0.563323, 0.617312, 0.822737, 0.86353, 0.924306, 1.03882 -elapsed time for k point: 0.0439300537109375 +elapsed time for k point: 0.04559969902038574 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -87803,7 +87819,7 @@ iteration 13: trace = 4.256363888498332 (1.19568e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.184047, 0.461592, 0.565122, 0.651397, 0.810839, 0.858984, 0.892949, 1.03589 -elapsed time for k point: 0.044089555740356445 +elapsed time for k point: 0.04507875442504883 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -87834,7 +87850,7 @@ iteration 13: trace = 4.226095324429568 (1.07605e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.227778, 0.433361, 0.566596, 0.689045, 0.778792, 0.855425, 0.879398, 1.03874 -elapsed time for k point: 0.04381585121154785 +elapsed time for k point: 0.04545235633850098 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -87867,7 +87883,7 @@ iteration 14: trace = 4.217772179352377 (6.65012e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.245809, 0.420657, 0.567163, 0.720092, 0.747203, 0.85409, 0.877012, 1.0408 -elapsed time for k point: 0.04710078239440918 +elapsed time for k point: 0.0490725040435791 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -87894,7 +87910,7 @@ iteration 11: trace = 4.205423828027399 (3.82269e-11% change) Finished solving for bands 1 to 8 after 11 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.249299, 0.427308, 0.560221, 0.718025, 0.756122, 0.855013, 0.877106, 1.02917 -elapsed time for k point: 0.03788876533508301 +elapsed time for k point: 0.039263010025024414 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -87923,7 +87939,7 @@ iteration 12: trace = 4.182592281022643 (3.09396e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.258693, 0.445541, 0.543385, 0.711698, 0.77935, 0.858136, 0.877357, 1.00092 -elapsed time for k point: 0.0408935546875 +elapsed time for k point: 0.04457688331604004 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -87952,7 +87968,7 @@ iteration 12: trace = 4.167811239279438 (1.56419e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.270963, 0.470322, 0.524053, 0.701396, 0.810963, 0.864394, 0.877683, 0.965108 -elapsed time for k point: 0.040708303451538086 +elapsed time for k point: 0.04463362693786621 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -87985,7 +88001,7 @@ iteration 14: trace = 4.169023318668043 (1.86199e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.281614, 0.493207, 0.508823, 0.689961, 0.846785, 0.874595, 0.878068, 0.926581 -elapsed time for k point: 0.0471796989440918 +elapsed time for k point: 0.050195932388305664 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -88020,7 +88036,7 @@ iteration 15: trace = 4.178672965088623 (1.77692e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.285906, 0.502981, 0.502983, 0.684476, 0.874359, 0.883317, 0.883317, 0.892993 -elapsed time for k point: 0.050371646881103516 +elapsed time for k point: 0.05298948287963867 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -88059,7 +88075,7 @@ iteration 17: trace = 4.14101257803556 (3.44889e-11% change) Finished solving for bands 1 to 8 after 17 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.276089, 0.491352, 0.508683, 0.69258, 0.839723, 0.856431, 0.907219, 0.907347 -elapsed time for k point: 0.056640625 +elapsed time for k point: 0.06004142761230469 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -88088,7 +88104,7 @@ iteration 12: trace = 4.14133040570003 (2.94249e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.240239, 0.47923, 0.523499, 0.685362, 0.829266, 0.840451, 0.910791, 0.941595 -elapsed time for k point: 0.04076218605041504 +elapsed time for k point: 0.042830467224121094 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -88117,7 +88133,7 @@ iteration 12: trace = 4.213521375941404 (1.81492e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.17524, 0.488533, 0.541561, 0.64751, 0.83002, 0.850443, 0.922657, 0.983925 -elapsed time for k point: 0.040670156478881836 +elapsed time for k point: 0.04353022575378418 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -88148,7 +88164,7 @@ iteration 13: trace = 4.345426086018986 (7.1497e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0915259, 0.516393, 0.555924, 0.601211, 0.824561, 0.86529, 0.948412, 1.03526 -elapsed time for k point: 0.04405069351196289 +elapsed time for k point: 0.0464019775390625 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. @@ -88281,7 +88297,7 @@ iteration 59: trace = 4.48379802415644 (6.17633e-11% change) Finished solving for bands 2 to 8 after 59 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.550336, 0.561338, 0.56134, 0.822948, 0.868842, 0.965325, 1.08938 -.elapsed time for k point: 0.15803074836730957 +.elapsed time for k point: 0.16794204711914062 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.28590577911965476 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.42065733839975133 at Vector3<0.5, 0.0, 0.0> to 0.5503360754831293 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.5029830978365978 at Vector3<0.5, 0.5, 0.0> to 0.5671632878128112 at Vector3<0.5, 0.0, 0.0> @@ -88292,11 +88308,11 @@ Band 8 range: 0.8929933495598094 at Vector3<0.5, 0.5, 0.0> to 1.0893776820093362 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.28590577911965476) to band 2 (0.42065733839975133), 38.14282289547772% Gap from band 4 (0.7200918204564002) to band 5 (0.7472029910480837), 3.695395142014472% -total elapsed time for run: 1.040947437286377 +total elapsed time for run: 0.9762907028198242 done -/tmp/meepZVgGID/test_sq_rods-0: 3.25s +/tmp/meepWDyqgO/test_sq_rods-0: 3.01s -/tmp/meepZVgGID/test_strip-0 +/tmp/meepWDyqgO/test_strip-0 ======================== Initializing eigensolver data Computing 4 bands with 1e-12 tolerance @@ -88338,7 +88354,7 @@ 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: 0.004118204116821289 +elapsed time for initialization: 0.004200935363769531 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... @@ -88427,7 +88443,7 @@ iteration 41: trace = 0.2686493130629992 (6.0832e-11% change) Finished solving for bands 1 to 4 after 41 iterations. freqs:, 1, 0.1, 0, 0, 0.1, 0.0807582, 0.0855765, 0.3147, 0.394675 -elapsed time for k point: 0.25034666061401367 +elapsed time for k point: 0.2691993713378906 zparity:, 1, 0.991845764322559, -0.9993165778921825, 0.9263952713918745, 0.734287985500236 yparity:, 1, -0.9999999941669303, 0.9999999948774843, 0.9999993171367377, -0.999990343487298 solve_kpoint (0.39,0,0): @@ -88494,7 +88510,7 @@ iteration 30: trace = 0.6068839394817216 (4.76188e-11% change) Finished solving for bands 1 to 4 after 30 iterations. freqs:, 2, 0.39, 0, 0, 0.39, 0.305867, 0.318873, 0.435494, 0.471163 -elapsed time for k point: 0.18342971801757812 +elapsed time for k point: 0.20359492301940918 zparity:, 2, 0.8497976290527355, -0.8562083115829646, 0.613504714456493, 0.7040493643450679 yparity:, 2, -0.9999999782411549, 0.9999997901628059, 1.000005868341607, -0.9999353452610711 solve_kpoint (0.68,0,0): @@ -88567,7 +88583,7 @@ iteration 33: trace = 1.207704486916823 (5.59108e-11% change) Finished solving for bands 1 to 4 after 33 iterations. freqs:, 3, 0.68, 0, 0, 0.68, 0.506676, 0.511416, 0.580115, 0.594058 -elapsed time for k point: 0.20385313034057617 +elapsed time for k point: 0.22504806518554688 zparity:, 3, 0.6430471097756447, -0.5132970565001864, 0.749333227902697, -0.5174581396280994 yparity:, 3, -1.0000092437102739, 0.9999867307863455, -0.9999773484878718, 0.9999739527336347 solve_kpoint (0.97,0,0): @@ -88630,7 +88646,7 @@ iteration 28: trace = 1.883192742813691 (5.95203e-11% change) Finished solving for bands 1 to 4 after 28 iterations. freqs:, 4, 0.97, 0, 0, 0.97, 0.629793, 0.64279, 0.724022, 0.741057 -elapsed time for k point: 0.17148733139038086 +elapsed time for k point: 0.18381261825561523 zparity:, 4, 0.9505599456752065, -0.795378249423283, 0.2909593295980241, -0.2599400191523577 yparity:, 4, -0.9999756485606782, 0.9999734198098535, -0.9999951573073973, 1.000002402143964 solve_kpoint (1.26,0,0): @@ -88743,7 +88759,7 @@ iteration 53: trace = 2.604105949809357 (7.31762e-11% change) Finished solving for bands 1 to 4 after 53 iterations. freqs:, 5, 1.26, 0, 0, 1.26, 0.691833, 0.716391, 0.880207, 0.915146 -elapsed time for k point: 0.324462890625 +elapsed time for k point: 0.3461310863494873 zparity:, 5, 0.989433203647212, -0.9410345597944496, -0.9057097520341679, 0.12590511654500938 yparity:, 5, -0.9999341958042025, 0.9999920496328631, -0.9999957145770669, 1.0000214447225875 solve_kpoint (1.55,0,0): @@ -88808,7 +88824,7 @@ iteration 29: trace = 3.170970083323871 (9.72916e-11% change) Finished solving for bands 1 to 4 after 29 iterations. freqs:, 6, 1.55, 0, 0, 1.55, 0.750543, 0.778256, 0.948183, 1.0502 -elapsed time for k point: 0.1789543628692627 +elapsed time for k point: 0.19722819328308105 zparity:, 6, 0.9953267395056951, -0.9730766670040221, -0.986247911215252, 0.7878496622631198 yparity:, 6, -0.9999079119735855, 0.9999964725103828, -1.000000377490359, 1.0001762821174565 solve_kpoint (1.84,0,0): @@ -88881,7 +88897,7 @@ iteration 32: trace = 3.666115155387485 (3.63279e-11% change) Finished solving for bands 1 to 4 after 32 iterations. freqs:, 7, 1.84, 0, 0, 1.84, 0.811564, 0.839559, 1.01283, 1.12995 -elapsed time for k point: 0.1959552764892578 +elapsed time for k point: 0.22295737266540527 zparity:, 7, 0.9973241081197969, -0.984353627051524, -0.9920656947485795, 0.9432892229195069 yparity:, 7, -0.9998843493066407, 0.9999987176028036, -1.000004228955064, 1.000251295159799 solve_kpoint (2.13,0,0): @@ -89115,7 +89131,7 @@ iteration 111: trace = 4.142245065134214 (5.83864e-11% change) Finished solving for bands 1 to 4 after 111 iterations. freqs:, 8, 2.13, 0, 0, 2.13, 0.875475, 0.902606, 1.07764, 1.18313 -elapsed time for k point: 0.6673219203948975 +elapsed time for k point: 0.7564206123352051 zparity:, 8, 0.9982486290503177, -0.9895791223046916, -0.9942480254116284, -0.9858374395357821 yparity:, 8, -0.9998633636102361, 1.0000002772665153, -1.0000094946193563, -0.9998446077472626 solve_kpoint (2.42,0,0): @@ -89166,7 +89182,7 @@ iteration 22: trace = 4.658682156001959 (6.49736e-11% change) Finished solving for bands 1 to 4 after 22 iterations. freqs:, 9, 2.42, 0, 0, 2.42, 0.942027, 0.967822, 1.14317, 1.23602 -elapsed time for k point: 0.13554143905639648 +elapsed time for k point: 0.1510906219482422 zparity:, 9, 0.9987530861905035, -0.9924225574132503, -0.9954159207907368, -0.9908510257235786 yparity:, 9, -0.9998459146893053, 1.000001510036795, -1.0000160082783978, -0.9998409671139477 solve_kpoint (2.71,0,0): @@ -89205,7 +89221,7 @@ iteration 16: trace = 5.22582194181603 (8.96197e-11% change) Finished solving for bands 1 to 4 after 16 iterations. freqs:, 10, 2.71, 0, 0, 2.71, 1.01083, 1.03512, 1.20959, 1.29208 -elapsed time for k point: 0.09973812103271484 +elapsed time for k point: 0.10999178886413574 zparity:, 10, 0.999058451884413, -0.9941385054596745, -0.996144476211231, -0.9934909746544984 yparity:, 10, -0.999833271897719, 1.000002524621246, -1.0000230923335933, -0.9998348121389271 solve_kpoint (3,0,0): @@ -89244,18 +89260,18 @@ iteration 16: trace = 5.844970311253993 (6.88361e-11% change) Finished solving for bands 1 to 4 after 16 iterations. freqs:, 11, 3, 0, 0, 3, 1.0815, 1.10429, 1.27693, 1.35105 -Felapsed time for k point: 0.09964513778686523 +Felapsed time for k point: 0.11157083511352539 zparity:, 11, 0.999257350936381, -0.9952507980580001, -0.9966396089669411, -0.9950905165813099 yparity:, 11, -0.9998264814151208, 1.000003358403511, -1.0000301573652695, -0.9998331550675029 Band 1 range: 0.08075820534047619 at Vector3<0.1, 0.0, 0.0> to 1.0814996932106427 at Vector3<3.0, 0.0, 0.0> Band 2 range: 0.0855765355012531 at Vector3<0.1, 0.0, 0.0> to 1.1042853097904504 at Vector3<3.0, 0.0, 0.0> Band 3 range: 0.3146996800331054 at Vector3<0.1, 0.0, 0.0> to 1.2769288087738555 at Vector3<3.0, 0.0, 0.0> Band 4 range: 0.39467479434568814 at Vector3<0.1, 0.0, 0.0> to 1.3510497758201543 at Vector3<3.0, 0.0, 0.0> -total elapsed time for run: 2.5169501304626465 +total elapsed time for run: 2.7837395668029785 done -/tmp/meepZVgGID/test_strip-0: 2.52s +/tmp/meepWDyqgO/test_strip-0: 2.79s -/tmp/meepZVgGID/test_subpixel_averaging-0 +/tmp/meepWDyqgO/test_subpixel_averaging-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -89298,7 +89314,7 @@ 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: 0.0013325214385986328 +elapsed time for initialization: 0.0013515949249267578 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... @@ -89409,7 +89425,7 @@ iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.1388416290283203 +elapsed time for k point: 0.1442856788635254 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -89660,7 +89676,7 @@ iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.3880007266998291 +elapsed time for k point: 0.4029688835144043 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -89717,7 +89733,7 @@ iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.08631110191345215 +elapsed time for k point: 0.08971381187438965 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -89770,7 +89786,7 @@ iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.08031249046325684 +elapsed time for k point: 0.08307623863220215 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -89831,7 +89847,7 @@ iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.09253859519958496 +elapsed time for k point: 0.09809041023254395 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -89924,7 +89940,7 @@ iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.14322328567504883 +elapsed time for k point: 0.15121698379516602 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -89995,7 +90011,7 @@ iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.10794305801391602 +elapsed time for k point: 0.1129159927368164 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -90056,7 +90072,7 @@ iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.09216499328613281 +elapsed time for k point: 0.09690260887145996 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -90109,7 +90125,7 @@ iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.07914090156555176 +elapsed time for k point: 0.08286571502685547 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -90161,7 +90177,7 @@ iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.07573676109313965 +elapsed time for k point: 0.0779423713684082 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -90213,7 +90229,7 @@ iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.07588815689086914 +elapsed time for k point: 0.0771787166595459 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -90254,7 +90270,7 @@ iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.05982828140258789 +elapsed time for k point: 0.06069135665893555 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -90301,7 +90317,7 @@ iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.07026195526123047 +elapsed time for k point: 0.07110786437988281 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -90364,7 +90380,7 @@ iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.09648966789245605 +elapsed time for k point: 0.09835648536682129 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -90437,7 +90453,7 @@ iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.11105895042419434 +elapsed time for k point: 0.11838316917419434 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -90632,7 +90648,7 @@ iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.24685454368591309 +elapsed time for k point: 0.2617642879486084 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> @@ -90644,13 +90660,13 @@ Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% -total elapsed time for run: 1.9470553398132324 +total elapsed time for run: 2.0300490856170654 done epsilon: 1-12, mean 2.38229, harm. mean 1.1448, 14.5508% > 1, 12.5663% "fill" -.Outputting /tmp/meepZVgGID/test_subpixel_averaging-0-epsilon.h5... -/tmp/meepZVgGID/test_subpixel_averaging-0: 1.96s +.Outputting /tmp/meepWDyqgO/test_subpixel_averaging-0-epsilon.h5... +/tmp/meepWDyqgO/test_subpixel_averaging-0: 2.04s -/tmp/meepZVgGID/test_symmetry_overlap-0 +/tmp/meepWDyqgO/test_symmetry_overlap-0 ======================== Initializing eigensolver data Computing 6 bands with 1e-12 tolerance @@ -90678,7 +90694,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.5> -elapsed time for initialization: 0.045079708099365234 +elapsed time for initialization: 0.04525113105773926 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... @@ -90739,8 +90755,8 @@ iteration 27: trace = 2.04033564540094 (3.41501e-11% change) Finished solving for bands 1 to 6 after 27 iterations. freqs:, 1, 0.5, 0.5, 0.5, 0.866025, 0.52682, 0.526822, 0.526826, 0.634476, 0.634484, 0.634491 -elapsed time for k point: 3.784381628036499 -total elapsed time for run: 3.8295416831970215 +elapsed time for k point: 4.6493659019470215 +total elapsed time for run: 4.6947033405303955 done Initializing eigensolver data Computing 6 bands with 1e-12 tolerance @@ -90767,7 +90783,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.04418444633483887 +elapsed time for initialization: 0.04432177543640137 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... @@ -90950,8 +90966,8 @@ iteration 87: trace = 2.470085654421875 (7.31194e-11% change) Finished solving for bands 2 to 6 after 87 iterations. zevenfreqs:, 1, 0, 0, 0, 0, 0, 0.54855, 0.707218, 0.707226, 0.764464, 0.764492 -elapsed time for k point: 9.25991415977478 -total elapsed time for run: 9.304189205169678 +elapsed time for k point: 10.321151733398438 +total elapsed time for run: 10.365578651428223 done Initializing eigensolver data Computing 6 bands with 1e-12 tolerance @@ -90978,7 +90994,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.055267333984375 +elapsed time for initialization: 0.04421854019165039 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... @@ -91047,12 +91063,12 @@ iteration 31: trace = 2.293368820559674 (4.40532e-11% change) Finished solving for bands 2 to 6 after 31 iterations. zoddfreqs:, 1, 0, 0, 0, 0, 0, 0.548559, 0.548564, 0.707153, 0.764183, 0.779416 -.elapsed time for k point: 3.884580612182617 -total elapsed time for run: 3.9399495124816895 +.elapsed time for k point: 3.4589152336120605 +total elapsed time for run: 3.5032496452331543 done -/tmp/meepZVgGID/test_symmetry_overlap-0: 17.54s +/tmp/meepWDyqgO/test_symmetry_overlap-0: 19.01s -/tmp/meepZVgGID/test_tri_holes-0 +/tmp/meepWDyqgO/test_tri_holes-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -91095,7 +91111,7 @@ 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: 0.0020728111267089844 +elapsed time for initialization: 0.002093791961669922 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... @@ -91217,7 +91233,7 @@ iteration 56: trace = 4.451949513355888 (5.7038e-11% change) Finished solving for bands 2 to 8 after 56 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.656836, 0.715623, 0.716068, 0.738377, 0.825979, 0.827163, 1.04116 -elapsed time for k point: 0.15018892288208008 +elapsed time for k point: 0.15395855903625488 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -91326,7 +91342,7 @@ iteration 51: trace = 4.458889461747212 (4.20297e-11% change) Finished solving for bands 1 to 8 after 51 iterations. tefreqs:, 2, 0, 0.1, 0, 0.11547, 0.0694821, 0.652351, 0.679959, 0.706966, 0.760813, 0.839484, 0.84298, 1.03546 -elapsed time for k point: 0.1639552116394043 +elapsed time for k point: 0.1680598258972168 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -91387,7 +91403,7 @@ iteration 28: trace = 4.481554639580319 (5.76719e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 3, 0, 0.2, 0, 0.23094, 0.137272, 0.615214, 0.658316, 0.688898, 0.777327, 0.869983, 0.879951, 1.02022 -elapsed time for k point: 0.09125733375549316 +elapsed time for k point: 0.09288930892944336 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -91446,7 +91462,7 @@ iteration 27: trace = 4.534239367259118 (5.22811e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tefreqs:, 4, 0, 0.3, 0, 0.34641, 0.200458, 0.560713, 0.652934, 0.672026, 0.788475, 0.905474, 0.920288, 1.00658 -elapsed time for k point: 0.08813214302062988 +elapsed time for k point: 0.0900111198425293 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -91511,7 +91527,7 @@ iteration 30: trace = 4.607273350205848 (7.40265e-11% change) Finished solving for bands 1 to 8 after 30 iterations. tefreqs:, 5, 0, 0.4, 0, 0.46188, 0.251902, 0.513413, 0.649737, 0.660743, 0.79604, 0.93646, 0.952374, 1.00191 -elapsed time for k point: 0.09742045402526855 +elapsed time for k point: 0.09895133972167969 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -91586,7 +91602,7 @@ iteration 35: trace = 4.654583747911483 (5.95734e-11% change) Finished solving for bands 1 to 8 after 35 iterations. tefreqs:, 6, 0, 0.5, 0, 0.57735, 0.274155, 0.492434, 0.648615, 0.656803, 0.798817, 0.949956, 0.963485, 1.00797 -elapsed time for k point: 0.11344456672668457 +elapsed time for k point: 0.11579537391662598 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -91647,7 +91663,7 @@ iteration 28: trace = 4.657802402861526 (2.96708e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.276103, 0.493884, 0.623964, 0.680084, 0.79654, 0.952442, 0.963435, 1.00796 -elapsed time for k point: 0.09135985374450684 +elapsed time for k point: 0.09269452095031738 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -91714,7 +91730,7 @@ iteration 31: trace = 4.667096098888665 (7.49617e-11% change) Finished solving for bands 1 to 8 after 31 iterations. tefreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.281494, 0.498189, 0.595471, 0.70467, 0.790197, 0.959226, 0.963379, 1.00792 -elapsed time for k point: 0.10078978538513184 +elapsed time for k point: 0.10262680053710938 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -91781,7 +91797,7 @@ iteration 31: trace = 4.681614604980835 (5.63268e-11% change) Finished solving for bands 1 to 8 after 31 iterations. tefreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.288945, 0.505245, 0.568143, 0.726282, 0.780907, 0.962873, 0.969263, 1.00805 -elapsed time for k point: 0.10117912292480469 +elapsed time for k point: 0.10241532325744629 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -91850,7 +91866,7 @@ iteration 32: trace = 4.699960544782283 (8.85351e-11% change) Finished solving for bands 1 to 8 after 32 iterations. tefreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.29604, 0.514888, 0.544209, 0.744263, 0.76985, 0.962861, 0.978949, 1.00946 -elapsed time for k point: 0.10442423820495605 +elapsed time for k point: 0.1067345142364502 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -91965,7 +91981,7 @@ iteration 54: trace = 4.719164720216025 (5.81182e-11% change) Finished solving for bands 1 to 8 after 54 iterations. tefreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.299305, 0.526635, 0.526971, 0.757838, 0.758439, 0.962922, 0.983456, 1.01518 -elapsed time for k point: 0.17351245880126953 +elapsed time for k point: 0.17774367332458496 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -92028,7 +92044,7 @@ iteration 29: trace = 4.65395680404941 (5.67951e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.280656, 0.522942, 0.556626, 0.735071, 0.77423, 0.95812, 0.968138, 0.99842 -elapsed time for k point: 0.0942080020904541 +elapsed time for k point: 0.09657096862792969 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -92085,7 +92101,7 @@ iteration 26: trace = 4.565737534032801 (6.61212e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 13, -0.2, 0.2, 0, 0.4, 0.227959, 0.557659, 0.592002, 0.715363, 0.778635, 0.930406, 0.931674, 1.00032 -elapsed time for k point: 0.08477783203125 +elapsed time for k point: 0.08695363998413086 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -92140,7 +92156,7 @@ iteration 25: trace = 4.495299578884336 (5.17658e-11% change) Finished solving for bands 1 to 8 after 25 iterations. tefreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.157628, 0.611565, 0.627491, 0.703542, 0.775273, 0.887377, 0.887503, 1.01567 -elapsed time for k point: 0.08175945281982422 +elapsed time for k point: 0.0841681957244873 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -92208,7 +92224,7 @@ iteration 31: trace = 4.462569920661394 (8.71745e-11% change) Finished solving for bands 1 to 8 after 31 iterations. tefreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0801245, 0.65125, 0.670687, 0.706804, 0.763085, 0.844811, 0.846761, 1.03423 -elapsed time for k point: 0.10058069229125977 +elapsed time for k point: 0.10260868072509766 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. @@ -92437,7 +92453,7 @@ iteration 109: trace = 4.451949513352739 (8.87789e-11% change) Finished solving for bands 2 to 8 after 109 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.656836, 0.715623, 0.716068, 0.738377, 0.825979, 0.827163, 1.04116 -elapsed time for k point: 0.29131603240966797 +elapsed time for k point: 0.2970881462097168 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2993049473117474 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.49243428236220704 at Vector3<0.0, 0.5, 0.0> to 0.6568362683499379 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.526971050644882 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7156232200212519 at Vector3<0.0, 0.0, 0.0> @@ -92449,7 +92465,7 @@ Gap from band 1 (0.2993049473117474) to band 2 (0.49243428236220704), 48.78609719263048% Gap from band 5 (0.7988168792802602) to band 6 (0.825978716470153), 3.343415905475546% Gap from band 7 (0.9834563303529559) to band 8 (0.9984200611839871), 1.5100569233207162% -total elapsed time for run: 1.931542158126831 +total elapsed time for run: 1.9725043773651123 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -92491,7 +92507,7 @@ 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: 0.002120494842529297 +elapsed time for initialization: 0.0020775794982910156 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... @@ -92560,7 +92576,7 @@ iteration 31: trace = 2.86249068861899 (4.55494e-11% change) Finished solving for bands 2 to 8 after 31 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.398513, 0.492888, 0.493368, 0.682486, 0.682532, 0.692015, 0.898224 -elapsed time for k point: 0.08406472206115723 +elapsed time for k point: 0.08608889579772949 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -92605,7 +92621,7 @@ iteration 20: trace = 2.835301328478701 (6.87443e-11% change) Finished solving for bands 1 to 8 after 20 iterations. tmfreqs:, 2, 0, 0.1, 0, 0.11547, 0.0581198, 0.391139, 0.491701, 0.498714, 0.658377, 0.683973, 0.717136, 0.879138 -elapsed time for k point: 0.06586384773254395 +elapsed time for k point: 0.0675363540649414 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. @@ -92642,7 +92658,7 @@ iteration 16: trace = 2.795630871597671 (2.5162e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 3, 0, 0.2, 0, 0.23094, 0.114967, 0.372435, 0.488376, 0.510297, 0.634188, 0.687769, 0.745313, 0.845031 -elapsed time for k point: 0.05285072326660156 +elapsed time for k point: 0.054413795471191406 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 9 iterations. @@ -92675,7 +92691,7 @@ iteration 14: trace = 2.771565390381668 (1.6007e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 4, 0, 0.3, 0, 0.34641, 0.169005, 0.346637, 0.484408, 0.520098, 0.618254, 0.692346, 0.770438, 0.813964 -elapsed time for k point: 0.04681801795959473 +elapsed time for k point: 0.048064470291137695 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -92706,7 +92722,7 @@ iteration 13: trace = 2.76461709410778 (7.09999e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0, 0.4, 0, 0.46188, 0.217539, 0.316063, 0.481302, 0.523954, 0.612544, 0.695969, 0.784104, 0.798008 -elapsed time for k point: 0.043817996978759766 +elapsed time for k point: 0.04476761817932129 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -92741,7 +92757,7 @@ iteration 15: trace = 2.765514654374652 (5.36501e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 6, 0, 0.5, 0, 0.57735, 0.246221, 0.2936, 0.480139, 0.524322, 0.612077, 0.697337, 0.77948, 0.802954 -elapsed time for k point: 0.04997849464416504 +elapsed time for k point: 0.05106997489929199 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -92774,7 +92790,7 @@ iteration 14: trace = 2.765656097342629 (9.76443e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.247714, 0.293902, 0.474174, 0.530395, 0.610517, 0.697722, 0.778384, 0.803945 -elapsed time for k point: 0.04687309265136719 +elapsed time for k point: 0.04782843589782715 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -92809,7 +92825,7 @@ iteration 15: trace = 2.766440393053365 (2.33086e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.252117, 0.294341, 0.462144, 0.543033, 0.606057, 0.698701, 0.775411, 0.806864 -elapsed time for k point: 0.05056142807006836 +elapsed time for k point: 0.05086374282836914 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -92844,7 +92860,7 @@ iteration 15: trace = 2.768905996249788 (5.57336e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.259212, 0.293544, 0.450321, 0.556823, 0.599242, 0.699858, 0.771489, 0.811554 -elapsed time for k point: 0.05000805854797363 +elapsed time for k point: 0.05082082748413086 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -92881,7 +92897,7 @@ iteration 16: trace = 2.774529530826193 (2.4313e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.268674, 0.289451, 0.441996, 0.569747, 0.590701, 0.700763, 0.768006, 0.817777 -elapsed time for k point: 0.053144216537475586 +elapsed time for k point: 0.054544687271118164 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -92943,7 +92959,7 @@ iteration 27: trace = 2.784404130698568 (1.99843e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tmfreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.280092, 0.280155, 0.439082, 0.58087, 0.581035, 0.701106, 0.766461, 0.825015 -elapsed time for k point: 0.0887913703918457 +elapsed time for k point: 0.09017086029052734 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 7 iterations. @@ -92978,7 +92994,7 @@ iteration 15: trace = 2.766275694185344 (1.14944e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.244445, 0.307226, 0.448708, 0.559739, 0.597235, 0.699583, 0.773933, 0.80772 -elapsed time for k point: 0.050020456314086914 +elapsed time for k point: 0.05101919174194336 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. @@ -93009,7 +93025,7 @@ iteration 13: trace = 2.76576657496863 (1.10951e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 13, -0.2, 0.2, 0, 0.4, 0.192601, 0.336978, 0.467722, 0.538055, 0.609757, 0.695231, 0.77985, 0.802206 -elapsed time for k point: 0.04349708557128906 +elapsed time for k point: 0.044478654861450195 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. @@ -93040,7 +93056,7 @@ iteration 13: trace = 2.786825446005419 (1.54254e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.132075, 0.365778, 0.483253, 0.517524, 0.627555, 0.689432, 0.753492, 0.835064 -elapsed time for k point: 0.04359245300292969 +elapsed time for k point: 0.044594764709472656 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 8 iterations. @@ -93081,7 +93097,7 @@ iteration 18: trace = 2.829270279885341 (1.59631e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tmfreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0670312, 0.388874, 0.490908, 0.500671, 0.654295, 0.684452, 0.721561, 0.874451 -elapsed time for k point: 0.05958294868469238 +elapsed time for k point: 0.06048107147216797 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 7 iterations. @@ -93149,7 +93165,7 @@ iteration 31: trace = 2.86249068861861 (3.02369e-11% change) Finished solving for bands 2 to 8 after 31 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.398513, 0.492888, 0.493368, 0.682486, 0.682532, 0.692015, 0.898224 -.elapsed time for k point: 0.08419179916381836 +.elapsed time for k point: 0.08591389656066895 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2800915681739989 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.2801552391378438 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.3985126081046674 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.4390817228448603 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.49288810189980675 at Vector3<0.0, 0.0, 0.0> @@ -93164,11 +93180,11 @@ Gap from band 4 (0.5808701365268195) to band 5 (0.5810352468043717), 0.028420606345552754% Gap from band 5 (0.6824860801372995) to band 6 (0.6825317446714997), 0.006690686871665024% Gap from band 7 (0.7841042622393077) to band 8 (0.7980077872594105), 1.7575904341930733% -total elapsed time for run: 0.916893482208252 +total elapsed time for run: 0.9358727931976318 done -/tmp/meepZVgGID/test_tri_holes-0: 2.85s +/tmp/meepWDyqgO/test_tri_holes-0: 2.91s -/tmp/meepZVgGID/test_tri_rods-0 +/tmp/meepWDyqgO/test_tri_rods-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -93210,7 +93226,7 @@ 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: 0.0014328956604003906 +elapsed time for initialization: 0.0014460086822509766 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... @@ -93265,7 +93281,7 @@ iteration 24: trace = 4.577894626572792 (4.43323e-11% change) Finished solving for bands 2 to 8 after 24 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832 -elapsed time for k point: 0.06546187400817871 +elapsed time for k point: 0.06597042083740234 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -93306,7 +93322,7 @@ iteration 18: trace = 4.546667003404457 (4.25075e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tmfreqs:, 2, 0, 0.1, 0, 0.11547, 0.0711319, 0.538981, 0.559429, 0.617095, 0.834123, 0.839462, 0.988272, 1.08637 -elapsed time for k point: 0.059813499450683594 +elapsed time for k point: 0.06006884574890137 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93341,7 +93357,7 @@ iteration 15: trace = 4.456771796562712 (4.07144e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 3, 0, 0.2, 0, 0.23094, 0.138898, 0.508574, 0.556587, 0.65398, 0.825087, 0.84452, 0.968999, 1.05281 -elapsed time for k point: 0.04994034767150879 +elapsed time for k point: 0.05060267448425293 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93374,7 +93390,7 @@ iteration 14: trace = 4.364565233298253 (3.14811e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 4, 0, 0.3, 0, 0.34641, 0.198939, 0.479631, 0.553145, 0.693119, 0.813353, 0.850964, 0.932869, 1.02598 -elapsed time for k point: 0.04744386672973633 +elapsed time for k point: 0.04746651649475098 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93405,7 +93421,7 @@ iteration 13: trace = 4.304069964437598 (7.1957e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0, 0.4, 0, 0.46188, 0.244064, 0.4557, 0.550414, 0.730028, 0.80289, 0.856372, 0.891379, 1.01409 -elapsed time for k point: 0.04411053657531738 +elapsed time for k point: 0.04402947425842285 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93436,7 +93452,7 @@ iteration 13: trace = 4.283477065616427 (4.15529e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 6, 0, 0.5, 0, 0.57735, 0.262015, 0.445331, 0.549383, 0.749186, 0.797864, 0.85849, 0.870609, 1.01087 -elapsed time for k point: 0.04509735107421875 +elapsed time for k point: 0.0438532829284668 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93465,7 +93481,7 @@ iteration 12: trace = 4.264474631199773 (8.73084e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.262984, 0.4475, 0.545804, 0.752448, 0.797093, 0.860461, 0.870245, 0.99895 -elapsed time for k point: 0.0411834716796875 +elapsed time for k point: 0.04098391532897949 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93494,7 +93510,7 @@ iteration 12: trace = 4.228595652264469 (8.10758e-12% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.265671, 0.453801, 0.535912, 0.761319, 0.795166, 0.866056, 0.869135, 0.973413 -elapsed time for k point: 0.04108262062072754 +elapsed time for k point: 0.04054617881774902 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93519,7 +93535,7 @@ iteration 10: trace = 4.19657782122971 (9.14088e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.269404, 0.463648, 0.52172, 0.773443, 0.792931, 0.867201, 0.874681, 0.94487 -elapsed time for k point: 0.034041404724121094 +elapsed time for k point: 0.03417515754699707 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93544,7 +93560,7 @@ iteration 10: trace = 4.175651761333511 (5.29421e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.273, 0.476141, 0.505606, 0.78524, 0.791235, 0.864672, 0.885801, 0.918597 -elapsed time for k point: 0.03429245948791504 +elapsed time for k point: 0.0348970890045166 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -93567,23 +93583,23 @@ iteration 9: trace = 4.168411689609142 (8.90435e-11% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.27469, 0.489984, 0.490239, 0.79072, 0.790832, 0.863041, 0.899109, 0.89925 -elapsed time for k point: 0.0308072566986084 +elapsed time for k point: 0.03128933906555176 Fixing e-field (band 1) phase by -1 + 4.11973e-08i; max ampl. = 0.93911 -Outputting fields to /tmp/meepZVgGID/test_tri_rods-0-e.k11.b01.z.tm.h5... +Outputting fields to /tmp/meepWDyqgO/test_tri_rods-0-e.k11.b01.z.tm.h5... Fixing e-field (band 2) phase by -4.11973e-08 + -1i; max ampl. = 1.08316 -Outputting fields to /tmp/meepZVgGID/test_tri_rods-0-e.k11.b02.z.tm.h5... +Outputting fields to /tmp/meepWDyqgO/test_tri_rods-0-e.k11.b02.z.tm.h5... Fixing e-field (band 3) phase by 1 + -4.11973e-08i; max ampl. = 0.877953 -Outputting fields to /tmp/meepZVgGID/test_tri_rods-0-e.k11.b03.z.tm.h5... +Outputting fields to /tmp/meepWDyqgO/test_tri_rods-0-e.k11.b03.z.tm.h5... Fixing e-field (band 4) phase by 1 + -4.11974e-08i; max ampl. = 1.24657 -Outputting fields to /tmp/meepZVgGID/test_tri_rods-0-e.k11.b04.z.tm.h5... +Outputting fields to /tmp/meepWDyqgO/test_tri_rods-0-e.k11.b04.z.tm.h5... Fixing e-field (band 5) phase by 4.11973e-08 + 1i; max ampl. = 1.10168 -Outputting fields to /tmp/meepZVgGID/test_tri_rods-0-e.k11.b05.z.tm.h5... +Outputting fields to /tmp/meepWDyqgO/test_tri_rods-0-e.k11.b05.z.tm.h5... Fixing e-field (band 6) phase by -1 + 4.11972e-08i; max ampl. = 1.76186 -Outputting fields to /tmp/meepZVgGID/test_tri_rods-0-e.k11.b06.z.tm.h5... +Outputting fields to /tmp/meepWDyqgO/test_tri_rods-0-e.k11.b06.z.tm.h5... Fixing e-field (band 7) phase by -1 + 4.11973e-08i; max ampl. = 1.0881 -Outputting fields to /tmp/meepZVgGID/test_tri_rods-0-e.k11.b07.z.tm.h5... +Outputting fields to /tmp/meepWDyqgO/test_tri_rods-0-e.k11.b07.z.tm.h5... Fixing e-field (band 8) phase by -1 + 4.11972e-08i; max ampl. = 1.08096 -Outputting fields to /tmp/meepZVgGID/test_tri_rods-0-e.k11.b08.z.tm.h5... +Outputting fields to /tmp/meepWDyqgO/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. @@ -93610,7 +93626,7 @@ iteration 11: trace = 4.1978540503093 (1.33083e-11% change) Finished solving for bands 1 to 8 after 11 iterations. tmfreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.2632, 0.47091, 0.51804, 0.764413, 0.795091, 0.864427, 0.896871, 0.932925 -elapsed time for k point: 0.0373380184173584 +elapsed time for k point: 0.03787398338317871 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93639,7 +93655,7 @@ iteration 12: trace = 4.283266488990683 (1.10938e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 13, -0.2, 0.2, 0, 0.4, 0.222593, 0.476537, 0.539917, 0.715636, 0.806516, 0.856013, 0.929969, 0.977199 -elapsed time for k point: 0.04028773307800293 +elapsed time for k point: 0.04088258743286133 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -93670,7 +93686,7 @@ iteration 13: trace = 4.410102274545237 (2.53155e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.15856, 0.501245, 0.552927, 0.666818, 0.82116, 0.846938, 0.963589, 1.03113 -elapsed time for k point: 0.0479581356048584 +elapsed time for k point: 0.04399275779724121 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93709,7 +93725,7 @@ iteration 17: trace = 4.5345176227572 (7.85245e-11% change) Finished solving for bands 1 to 8 after 17 iterations. tmfreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0819275, 0.534465, 0.558896, 0.622523, 0.832982, 0.840137, 0.98638, 1.08149 -elapsed time for k point: 0.05622076988220215 +elapsed time for k point: 0.056844234466552734 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. @@ -93746,7 +93762,7 @@ iteration 16: trace = 4.577894626572483 (2.56293e-11% change) Finished solving for bands 2 to 8 after 16 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832 -elapsed time for k point: 0.043997764587402344 +elapsed time for k point: 0.04432964324951172 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2746902258623627 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.44533108084715767 at Vector3<0.0, 0.5, 0.0> to 0.5605181423162842 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.4902389149027673 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.5605607947797742 at Vector3<0.0, 0.0, 0.0> @@ -93760,7 +93776,7 @@ Gap from band 4 (0.7907195974443695) to band 5 (0.7908320763327581), 0.014223865113428144% Gap from band 5 (0.837451116753757) to band 6 (0.8375948528443267), 0.01716204727254158% Gap from band 6 (0.8672009264903464) to band 7 (0.8691349955739203), 0.22277591092793939% -total elapsed time for run: 0.7358522415161133 +total elapsed time for run: 0.7360739707946777 done Read lattice vectors Read Bloch wavevector (-0.333333, 0.333333, 0) @@ -93810,7 +93826,7 @@ 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: 0.001478433609008789 +elapsed time for initialization: 0.0015134811401367188 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... @@ -93929,7 +93945,7 @@ iteration 56: trace = 6.205337647125866 (6.95189e-11% change) Finished solving for bands 2 to 8 after 56 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.561229, 0.793929, 0.794659, 1.03341, 1.03342, 1.11597, 1.11681 -elapsed time for k point: 0.14848065376281738 +elapsed time for k point: 0.1517796516418457 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93996,7 +94012,7 @@ iteration 31: trace = 6.070460070673303 (7.67843e-11% change) Finished solving for bands 1 to 8 after 31 iterations. tefreqs:, 2, 0, 0.1, 0, 0.11547, 0.101865, 0.559805, 0.79146, 0.793258, 0.992126, 1.02845, 1.09799, 1.1151 -elapsed time for k point: 0.10101056098937988 +elapsed time for k point: 0.10216331481933594 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -94059,7 +94075,7 @@ iteration 29: trace = 5.856237734706174 (2.87099e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 3, 0, 0.2, 0, 0.23094, 0.202662, 0.555133, 0.784265, 0.784932, 0.925328, 1.01804, 1.06979, 1.11298 -elapsed time for k point: 0.09407806396484375 +elapsed time for k point: 0.09503173828125 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -94114,7 +94130,7 @@ iteration 25: trace = 5.679316226598069 (4.88088e-11% change) Finished solving for bands 1 to 8 after 25 iterations. tefreqs:, 4, 0, 0.3, 0, 0.34641, 0.300756, 0.545003, 0.752836, 0.776604, 0.881527, 1.00851, 1.04494, 1.1117 -elapsed time for k point: 0.08160758018493652 +elapsed time for k point: 0.08253765106201172 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -94165,7 +94181,7 @@ iteration 23: trace = 5.567356944539206 (5.39222e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 5, 0, 0.4, 0, 0.46188, 0.392756, 0.521577, 0.705571, 0.77011, 0.86865, 1.00251, 1.02766, 1.11107 -elapsed time for k point: 0.07908058166503906 +elapsed time for k point: 0.0763554573059082 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -94214,7 +94230,7 @@ iteration 22: trace = 5.529271313719439 (3.44074e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 6, 0, 0.5, 0, 0.57735, 0.468428, 0.473072, 0.683225, 0.767661, 0.866987, 1.00052, 1.02137, 1.11088 -elapsed time for k point: 0.07246613502502441 +elapsed time for k point: 0.07280731201171875 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -94267,7 +94283,7 @@ iteration 24: trace = 5.53215360606891 (8.05311e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.472654, 0.474197, 0.67604, 0.772695, 0.866879, 0.969813, 1.05066, 1.11081 -elapsed time for k point: 0.07844996452331543 +elapsed time for k point: 0.07921695709228516 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -94320,7 +94336,7 @@ iteration 24: trace = 5.534695993739176 (6.50404e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.477432, 0.485081, 0.657266, 0.784802, 0.866577, 0.932933, 1.08112, 1.11059 -elapsed time for k point: 0.07845878601074219 +elapsed time for k point: 0.07869482040405273 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -94371,7 +94387,7 @@ iteration 23: trace = 5.527140023966947 (5.31897e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.48232, 0.50501, 0.630584, 0.799745, 0.866126, 0.900465, 1.09936, 1.11024 -elapsed time for k point: 0.07521796226501465 +elapsed time for k point: 0.07591915130615234 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -94420,7 +94436,7 @@ iteration 22: trace = 5.514581486526159 (5.58717e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.487852, 0.531427, 0.598151, 0.814208, 0.865617, 0.875643, 1.10711, 1.10983 -elapsed time for k point: 0.07215118408203125 +elapsed time for k point: 0.07274603843688965 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -94463,7 +94479,7 @@ iteration 19: trace = 5.508642232131606 (7.07332e-11% change) Finished solving for bands 1 to 8 after 19 iterations. tefreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.491236, 0.563106, 0.563151, 0.821423, 0.865195, 0.865231, 1.10923, 1.10941 -elapsed time for k point: 0.06228232383728027 +elapsed time for k point: 0.06284236907958984 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -94510,7 +94526,7 @@ iteration 21: trace = 5.538947612933673 (6.49263e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.446126, 0.532191, 0.637012, 0.806654, 0.86614, 0.893198, 1.10593, 1.10866 -elapsed time for k point: 0.07031464576721191 +elapsed time for k point: 0.0690913200378418 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -94559,7 +94575,7 @@ iteration 22: trace = 5.636892705526574 (7.80263e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 13, -0.2, 0.2, 0, 0.4, 0.345267, 0.542882, 0.713396, 0.795022, 0.875814, 0.938821, 1.09707, 1.10904 -elapsed time for k point: 0.07234477996826172 +elapsed time for k point: 0.07285118103027344 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -94618,7 +94634,7 @@ iteration 27: trace = 5.807436111839939 (8.667e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tefreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.233479, 0.553269, 0.768719, 0.792196, 0.912766, 0.987203, 1.08919, 1.11098 -elapsed time for k point: 0.08774542808532715 +elapsed time for k point: 0.08951187133789062 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -94689,7 +94705,7 @@ iteration 33: trace = 6.03914874547851 (4.55623e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.117556, 0.559323, 0.789736, 0.793576, 0.983043, 1.02374, 1.09661, 1.11448 -elapsed time for k point: 0.10690760612487793 +elapsed time for k point: 0.11038017272949219 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 6 iterations. @@ -94764,7 +94780,7 @@ iteration 35: trace = 6.205337647122201 (8.2916e-11% change) Finished solving for bands 2 to 8 after 35 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.561229, 0.793929, 0.794659, 1.03341, 1.03342, 1.11597, 1.11681 -elapsed time for k point: 0.09316587448120117 +elapsed time for k point: 0.09729146957397461 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4912358118675777 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.4730722390280759 at Vector3<0.0, 0.5, 0.0> to 0.5631059378714032 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 3 range: 0.5631505198559037 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7939289395839753 at Vector3<0.0, 0.0, 0.0> @@ -94775,7 +94791,7 @@ Band 8 range: 1.1086626585374233 at Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> to 1.1168107191255356 at Vector3<0.0, 0.0, 0.0> Gap from band 2 (0.5631059378714032) to band 3 (0.5631505198559037), 0.007916844195590661% Gap from band 4 (0.8214230044191522) to band 5 (0.865194814441527), 5.190483526605094% -total elapsed time for run: 1.3763785362243652 +total elapsed time for run: 1.3918614387512207 done epsilon: 1-12, mean 2.59614, harm. mean 1.17149, 17.2852% > 1, 14.5104% "fill" Read lattice vectors @@ -94785,9 +94801,9 @@ Input data is rank 2, size 32x32x1. Output data 96x83x1 real part range: 1 .. 12 -./tmp/meepZVgGID/test_tri_rods-0: 2.12s +./tmp/meepWDyqgO/test_tri_rods-0: 2.14s -/tmp/meepZVgGID/test_triangular_lattice-0 +/tmp/meepWDyqgO/test_triangular_lattice-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -94830,7 +94846,7 @@ 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: 0.0014219284057617188 +elapsed time for initialization: 0.0015900135040283203 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... @@ -94885,7 +94901,7 @@ iteration 24: trace = 4.577894626572792 (4.43323e-11% change) Finished solving for bands 2 to 8 after 24 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832 -elapsed time for k point: 0.06577301025390625 +elapsed time for k point: 0.0695948600769043 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -94926,7 +94942,7 @@ iteration 18: trace = 4.546667003404457 (4.25075e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tmfreqs:, 2, 0, 0.1, 0, 0.11547, 0.0711319, 0.538981, 0.559429, 0.617095, 0.834123, 0.839462, 0.988272, 1.08637 -elapsed time for k point: 0.059296607971191406 +elapsed time for k point: 0.0624847412109375 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -94961,7 +94977,7 @@ iteration 15: trace = 4.456771796562712 (4.07144e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 3, 0, 0.2, 0, 0.23094, 0.138898, 0.508574, 0.556587, 0.65398, 0.825087, 0.84452, 0.968999, 1.05281 -elapsed time for k point: 0.05026125907897949 +elapsed time for k point: 0.05205202102661133 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -94994,7 +95010,7 @@ iteration 14: trace = 4.364565233298253 (3.14811e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 4, 0, 0.3, 0, 0.34641, 0.198939, 0.479631, 0.553145, 0.693119, 0.813353, 0.850964, 0.932869, 1.02598 -elapsed time for k point: 0.04687023162841797 +elapsed time for k point: 0.04910564422607422 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -95025,7 +95041,7 @@ iteration 13: trace = 4.304069964437598 (7.1957e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0, 0.4, 0, 0.46188, 0.244064, 0.4557, 0.550414, 0.730028, 0.80289, 0.856372, 0.891379, 1.01409 -elapsed time for k point: 0.043683767318725586 +elapsed time for k point: 0.04527091979980469 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -95056,7 +95072,7 @@ iteration 13: trace = 4.283477065616427 (4.15529e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 6, 0, 0.5, 0, 0.57735, 0.262015, 0.445331, 0.549383, 0.749186, 0.797864, 0.85849, 0.870609, 1.01087 -elapsed time for k point: 0.04346299171447754 +elapsed time for k point: 0.045290231704711914 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -95085,7 +95101,7 @@ iteration 12: trace = 4.264474631199773 (8.73084e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.262984, 0.4475, 0.545804, 0.752448, 0.797093, 0.860461, 0.870245, 0.99895 -elapsed time for k point: 0.04038405418395996 +elapsed time for k point: 0.04199528694152832 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -95114,7 +95130,7 @@ iteration 12: trace = 4.228595652264469 (8.10758e-12% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.265671, 0.453801, 0.535912, 0.761319, 0.795166, 0.866056, 0.869135, 0.973413 -elapsed time for k point: 0.040303945541381836 +elapsed time for k point: 0.041399240493774414 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -95139,7 +95155,7 @@ iteration 10: trace = 4.19657782122971 (9.14088e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.269404, 0.463648, 0.52172, 0.773443, 0.792931, 0.867201, 0.874681, 0.94487 -elapsed time for k point: 0.03407740592956543 +elapsed time for k point: 0.03514814376831055 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -95164,7 +95180,7 @@ iteration 10: trace = 4.175651761333511 (5.29421e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.273, 0.476141, 0.505606, 0.78524, 0.791235, 0.864672, 0.885801, 0.918597 -elapsed time for k point: 0.03431296348571777 +elapsed time for k point: 0.035186767578125 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -95187,7 +95203,7 @@ iteration 9: trace = 4.168411689609142 (8.90435e-11% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.27469, 0.489984, 0.490239, 0.79072, 0.790832, 0.863041, 0.899109, 0.89925 -elapsed time for k point: 0.03076457977294922 +elapsed time for k point: 0.03172421455383301 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -95214,7 +95230,7 @@ iteration 11: trace = 4.1978540503093 (1.3266e-11% change) Finished solving for bands 1 to 8 after 11 iterations. tmfreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.2632, 0.47091, 0.51804, 0.764413, 0.795091, 0.864427, 0.896871, 0.932925 -elapsed time for k point: 0.03716778755187988 +elapsed time for k point: 0.03841733932495117 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -95243,7 +95259,7 @@ iteration 12: trace = 4.283266488990684 (1.11145e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 13, -0.2, 0.2, 0, 0.4, 0.222593, 0.476537, 0.539917, 0.715636, 0.806516, 0.856013, 0.929969, 0.977199 -elapsed time for k point: 0.040634870529174805 +elapsed time for k point: 0.04195523262023926 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -95274,7 +95290,7 @@ iteration 13: trace = 4.410102274545239 (2.51544e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.15856, 0.501245, 0.552927, 0.666818, 0.82116, 0.846938, 0.963589, 1.03113 -elapsed time for k point: 0.04492044448852539 +elapsed time for k point: 0.0453648567199707 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -95313,7 +95329,7 @@ iteration 17: trace = 4.534517622757202 (7.84853e-11% change) Finished solving for bands 1 to 8 after 17 iterations. tmfreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0819275, 0.534465, 0.558896, 0.622523, 0.832982, 0.840137, 0.98638, 1.08149 -elapsed time for k point: 0.05636906623840332 +elapsed time for k point: 0.05843377113342285 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. @@ -95406,10 +95422,10 @@ AssertionError: -0.9945407488966614 != -0.9950905165813099 within 3 places (0.0005497676846484278 difference) ---------------------------------------------------------------------- -Ran 47 tests in 270.632s +Ran 47 tests in 274.923s FAILED (failures=5) -elapsed time for k point: 0.04429888725280762 +elapsed time for k point: 0.04554295539855957 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2746902258623627 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.44533108084715767 at Vector3<0.0, 0.5, 0.0> to 0.5605181423162842 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.4902389149027673 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.5605607947797745 at Vector3<0.0, 0.0, 0.0> @@ -95423,37 +95439,37 @@ Gap from band 4 (0.7907195974443695) to band 5 (0.7908320763327581), 0.014223865113428144% Gap from band 5 (0.837451116753757) to band 6 (0.8375948528443267), 0.01716204727254158% Gap from band 6 (0.8672009264903464) to band 7 (0.8691349955739203), 0.22277591092793939% -total elapsed time for run: 0.7151062488555908 +total elapsed time for run: 0.7417831420898438 done -/tmp/meepZVgGID/test_triangular_lattice-0: 0.72s +/tmp/meepWDyqgO/test_triangular_lattice-0: 0.74s -/tmp/meepZVgGID/test_update_band_range_data-0 +/tmp/meepWDyqgO/test_update_band_range_data-0 ======================== -/tmp/meepZVgGID/test_update_band_range_data-0: 0.00s +/tmp/meepWDyqgO/test_update_band_range_data-0: 0.00s -Elapsed run time = 270.6581 s +Elapsed run time = 274.9515 s FAIL tests/test_mpb.py (exit status: 1) FAIL: tests/test_multilevel_atom ================================ -Matplotlib created a temporary cache directory at /tmp/matplotlib-0ox3ttc5 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-si1bzii3 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. ----------- Initializing structure... -time for choose_chunkdivision = 3.29018e-05 s +time for choose_chunkdivision = 3.19481e-05 s Working in 1D dimensions. Computational cell is 0 x 0 x 3 with resolution 40 block, center = (0,0,-1) size (1e+20,1e+20,1) axes (1,0,0), (0,1,0), (0,0,1) dielectric constant epsilon diagonal = (2.25,2.25,2.25) -time for set_epsilon = 6.10352e-05 s +time for set_epsilon = 5.98431e-05 s multilevel atom susceptibility ----------- -Meep progress: 3003.625/7000.0 = 42.9% done in 4.0s, 5.3s to go -on time step 240290 (time=3003.62), 1.66468e-05 s/step -Meep progress: 5998.4125/7000.0 = 85.7% done in 8.0s, 1.3s to go -on time step 479875 (time=5998.44), 1.66956e-05 s/step +Meep progress: 2998.55/7000.0 = 42.8% done in 4.0s, 5.3s to go +on time step 239884 (time=2998.55), 1.66749e-05 s/step +Meep progress: 5997.6/7000.0 = 85.7% done in 8.0s, 1.3s to go +on time step 479811 (time=5997.64), 1.66718e-05 s/step F ====================================================================== FAIL: test_multilevel_atom (__main__.TestMultiLevelAtom.test_multilevel_atom) @@ -95476,11 +95492,11 @@ AssertionError: -0.04452311652305546 != -2.7110969214986387 within 7 places (2.666573804975583 difference) ---------------------------------------------------------------------- -Ran 1 test in 9.334s +Ran 1 test in 9.339s FAILED (failures=1) -Elapsed run time = 9.3359 s +Elapsed run time = 9.3412 s FAIL tests/test_multilevel_atom.py (exit status: 1) FAIL: tests/test_refl_angular @@ -95495,11 +95511,11 @@ FAIL: tests/test_ring ===================== -Matplotlib created a temporary cache directory at /tmp/matplotlib-3akm_q3s 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-zwbl72gq 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. ----------- Initializing structure... Halving computational cell along direction y -time for choose_chunkdivision = 0.000159979 s +time for choose_chunkdivision = 0.000149012 s Working in 2D dimensions. Computational cell is 16 x 16 x 0 with resolution 10 cylinder, center = (0,0,0) @@ -95508,10 +95524,10 @@ cylinder, center = (0,0,0) radius 1, height 1e+20, axis (0, 0, 1) dielectric constant epsilon diagonal = (1,1,1) -time for set_epsilon = 0.041358 s +time for set_epsilon = 0.0253401 s ----------- -Meep: using output directory '/tmp/meepEJSm2W' -creating output file "/tmp/meepEJSm2W/test_ring-eps-000000.00.h5"... +Meep: using output directory '/tmp/meepkAgP51' +creating output file "/tmp/meepkAgP51/test_ring-eps-000000.00.h5"... F ====================================================================== FAIL: test_harminv (__main__.TestRing.test_harminv) @@ -95522,7 +95538,7 @@ AssertionError: -0.0031000670513534412 != -0.00304951667301 within 4 places (5.055037834344111e-05 difference) ---------------------------------------------------------------------- -Ran 1 test in 1.480s +Ran 1 test in 1.178s FAILED (failures=1) harminv0:, frequency, imag. freq., Q, |amp|, amplitude, error @@ -95531,7 +95547,7 @@ harminv0:, 0.17525090660968345, -4.942178297042028e-05, 1773.0127898721692, 0.007182681627539563, -0.0007880952564943597-0.007139315179293142i, 7.746476842699581e-07+0.0i run 0 finished at t = 400.0 (8000 timesteps) -Elapsed run time = 1.4814 s +Elapsed run time = 1.1798 s FAIL tests/test_ring.py (exit status: 1) FAIL: tests/test_special_kz @@ -95569,7 +95585,7 @@ make[5]: Entering directory '/build/reproducible-path/meep-1.25.0/src' make[6]: Entering directory '/build/reproducible-path/meep-1.25.0/src' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu' - /bin/bash ../libtool --mode=install /usr/bin/install -c libmeep.la '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu' + /bin/sh ../libtool --mode=install /usr/bin/install -c libmeep.la '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu' libtool: install: /usr/bin/install -c .libs/libmeep.so.30.0.0 /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu/libmeep.so.30.0.0 libtool: install: (cd /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu && { ln -s -f libmeep.so.30.0.0 libmeep.so.30 || { rm -f libmeep.so.30 && ln -s libmeep.so.30.0.0 libmeep.so.30; }; }) libtool: install: (cd /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu && { ln -s -f libmeep.so.30.0.0 libmeep.so || { rm -f libmeep.so && ln -s libmeep.so.30.0.0 libmeep.so; }; }) @@ -95599,7 +95615,7 @@ make[4]: Entering directory '/build/reproducible-path/meep-1.25.0/scheme' make[5]: Entering directory '/build/reproducible-path/meep-1.25.0/scheme' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/bin' - /bin/bash ../libtool --mode=install /usr/bin/install -c meep '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/bin' + /bin/sh ../libtool --mode=install /usr/bin/install -c meep '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/bin' libtool: warning: '../src/libmeep.la' has not been installed in '/usr/lib/aarch64-linux-gnu' libtool: install: /usr/bin/install -c .libs/meep /build/reproducible-path/meep-1.25.0/debian/tmp/usr/bin/meep /usr/bin/mkdir -p '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/share/meep' @@ -95611,9 +95627,9 @@ make[3]: Entering directory '/build/reproducible-path/meep-1.25.0/libpympb' make[4]: Entering directory '/build/reproducible-path/meep-1.25.0/libpympb' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu' - /bin/bash ../libtool --mode=install /usr/bin/install -c libpympb.la '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu' + /bin/sh ../libtool --mode=install /usr/bin/install -c libpympb.la '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu' libtool: warning: relinking 'libpympb.la' -libtool: install: (cd /build/reproducible-path/meep-1.25.0/libpympb; /bin/bash "/build/reproducible-path/meep-1.25.0/libtool" --tag CXX --mode=relink aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -version-info 30:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o libpympb.la -rpath /usr/lib/aarch64-linux-gnu libpympb_la-pympb.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -inst-prefix-dir /build/reproducible-path/meep-1.25.0/debian/tmp) +libtool: install: (cd /build/reproducible-path/meep-1.25.0/libpympb; /bin/sh "/build/reproducible-path/meep-1.25.0/libtool" --tag CXX --mode=relink aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -version-info 30:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o libpympb.la -rpath /usr/lib/aarch64-linux-gnu libpympb_la-pympb.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -inst-prefix-dir /build/reproducible-path/meep-1.25.0/debian/tmp) libtool: relink: aarch64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crti.o /usr/lib/gcc/aarch64-linux-gnu/14/crtbeginS.o .libs/libpympb_la-pympb.o -L/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu -L/usr/lib/aarch64-linux-gnu -lmeep -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/aarch64-linux-gnu/14/crtendS.o /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crtn.o -g -O2 -fstack-protector-strong -mbranch-protection=standard -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -Wl,-soname -Wl,libpympb.so.30 -o .libs/libpympb.so.30.0.0 libtool: install: /usr/bin/install -c .libs/libpympb.so.30.0.0T /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu/libpympb.so.30.0.0 libtool: install: (cd /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu && { ln -s -f libpympb.so.30.0.0 libpympb.so.30 || { rm -f libpympb.so.30 && ln -s libpympb.so.30.0.0 libpympb.so.30; }; }) @@ -95633,9 +95649,9 @@ make[4]: Entering directory '/build/reproducible-path/meep-1.25.0/python' make[5]: Entering directory '/build/reproducible-path/meep-1.25.0/python' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep' - /bin/bash ../libtool --mode=install /usr/bin/install -c _meep.la '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep' + /bin/sh ../libtool --mode=install /usr/bin/install -c _meep.la '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep' libtool: warning: relinking '_meep.la' -libtool: install: (cd /build/reproducible-path/meep-1.25.0/python; /bin/bash "/build/reproducible-path/meep-1.25.0/libtool" --tag CXX --mode=relink aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -module -version-info 30:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o _meep.la -rpath /usr/lib/python3.12/site-packages/meep _meep_la-meep-python.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -inst-prefix-dir /build/reproducible-path/meep-1.25.0/debian/tmp) +libtool: install: (cd /build/reproducible-path/meep-1.25.0/python; /bin/sh "/build/reproducible-path/meep-1.25.0/libtool" --tag CXX --mode=relink aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -module -version-info 30:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o _meep.la -rpath /usr/lib/python3.12/site-packages/meep _meep_la-meep-python.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -inst-prefix-dir /build/reproducible-path/meep-1.25.0/debian/tmp) libtool: relink: aarch64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crti.o /usr/lib/gcc/aarch64-linux-gnu/14/crtbeginS.o .libs/_meep_la-meep-python.o -L/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu -L/usr/lib/aarch64-linux-gnu -lmeep -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/aarch64-linux-gnu/14/crtendS.o /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crtn.o -g -O2 -fstack-protector-strong -mbranch-protection=standard -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -Wl,-soname -Wl,_meep.so.30 -o .libs/_meep.so.30.0.0 libtool: install: /usr/bin/install -c .libs/_meep.so.30.0.0T /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/_meep.so.30.0.0 libtool: install: (cd /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep && { ln -s -f _meep.so.30.0.0 _meep.so.30 || { rm -f _meep.so.30 && ln -s _meep.so.30.0.0 _meep.so.30; }; }) @@ -95658,9 +95674,9 @@ Byte-compiling python modules (optimized versions) ... __init__.pybinary_partition_utils.pychunk_balancer.pygeom.pysimulation.pysource.pytiming_measurements.pyvisualization.pymaterials.pyverbosity_mgr.py /usr/bin/mkdir -p '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/mpb' - /bin/bash ../libtool --mode=install /usr/bin/install -c _mpb.la '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/mpb' + /bin/sh ../libtool --mode=install /usr/bin/install -c _mpb.la '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/mpb' libtool: warning: relinking '_mpb.la' -libtool: install: (cd /build/reproducible-path/meep-1.25.0/python; /bin/bash "/build/reproducible-path/meep-1.25.0/libtool" --tag CXX --mode=relink aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -module -version-info 30:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o _mpb.la -rpath /usr/lib/python3.12/site-packages/meep/mpb _mpb_la-mpb-python.lo ../libpympb/libpympb.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -inst-prefix-dir /build/reproducible-path/meep-1.25.0/debian/tmp) +libtool: install: (cd /build/reproducible-path/meep-1.25.0/python; /bin/sh "/build/reproducible-path/meep-1.25.0/libtool" --tag CXX --mode=relink aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -module -version-info 30:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o _mpb.la -rpath /usr/lib/python3.12/site-packages/meep/mpb _mpb_la-mpb-python.lo ../libpympb/libpympb.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -inst-prefix-dir /build/reproducible-path/meep-1.25.0/debian/tmp) libtool: relink: aarch64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crti.o /usr/lib/gcc/aarch64-linux-gnu/14/crtbeginS.o .libs/_mpb_la-mpb-python.o -L/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu -L/usr/lib/aarch64-linux-gnu -lpympb -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/aarch64-linux-gnu/14/crtendS.o /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crtn.o -g -O2 -fstack-protector-strong -mbranch-protection=standard -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -Wl,-soname -Wl,_mpb.so.30 -o .libs/_mpb.so.30.0.0 libtool: install: /usr/bin/install -c .libs/_mpb.so.30.0.0T /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/mpb/_mpb.so.30.0.0 libtool: install: (cd /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/mpb && { ln -s -f _mpb.so.30.0.0 _mpb.so.30 || { rm -f _mpb.so.30 && ln -s _mpb.so.30.0.0 _mpb.so.30; }; }) @@ -95734,21 +95750,21 @@ diversion by libc6 from: /lib/ld-linux-aarch64.so.1 dpkg-shlibdeps: warning: diversions involved - output may be incorrect diversion by libc6 to: /lib/ld-linux-aarch64.so.1.usr-is-merged -dpkg-shlibdeps: warning: debian/python3-meep/usr/lib/python3/dist-packages/meep/_meep.so.30.0.0 contains an unresolvable reference to symbol PyExc_SystemError: 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.30.0.0 contains an unresolvable reference to symbol PyComplex_FromDoubles: it's probably a plugin +dpkg-shlibdeps: warning: debian/python3-meep/usr/lib/python3/dist-packages/meep/mpb/_mpb.so.30.0.0 contains an unresolvable reference to symbol PyType_Type: it's probably a plugin dpkg-shlibdeps: warning: 97 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.30.0.0 contains an unresolvable reference to symbol PyModule_AddObject: it's probably a plugin +dpkg-shlibdeps: warning: 107 other similar warnings have been skipped (use -v to see them all) dh_installdeb dh_gencontrol dh_md5sums dh_builddeb -dpkg-deb: building package 'meep' in '../meep_1.25.0-4_arm64.deb'. -dpkg-deb: building package 'python3-meep-dbgsym' in '../python3-meep-dbgsym_1.25.0-4_arm64.deb'. -dpkg-deb: building package 'libmeep30-dbgsym' in '../libmeep30-dbgsym_1.25.0-4_arm64.deb'. dpkg-deb: building package 'meep-dbgsym' in '../meep-dbgsym_1.25.0-4_arm64.deb'. -dpkg-deb: building package 'libmeep-dev' in '../libmeep-dev_1.25.0-4_arm64.deb'. +dpkg-deb: building package 'libmeep30-dbgsym' in '../libmeep30-dbgsym_1.25.0-4_arm64.deb'. dpkg-deb: building package 'libmeep30' in '../libmeep30_1.25.0-4_arm64.deb'. +dpkg-deb: building package 'libmeep-dev' in '../libmeep-dev_1.25.0-4_arm64.deb'. +dpkg-deb: building package 'meep' in '../meep_1.25.0-4_arm64.deb'. dpkg-deb: building package 'python3-meep' in '../python3-meep_1.25.0-4_arm64.deb'. +dpkg-deb: building package 'python3-meep-dbgsym' in '../python3-meep-dbgsym_1.25.0-4_arm64.deb'. dpkg-genbuildinfo --build=binary -O../meep_1.25.0-4_arm64.buildinfo dpkg-genchanges --build=binary -O../meep_1.25.0-4_arm64.changes dpkg-genchanges: info: binary-only upload (no source code included) @@ -95756,12 +95772,14 @@ dpkg-buildpackage: info: binary-only upload (no source included) dpkg-genchanges: info: not including original source code in upload I: copying local configuration +I: user script /srv/workspace/pbuilder/1634796/tmp/hooks/B01_cleanup starting +I: user script /srv/workspace/pbuilder/1634796/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/2121141 and its subdirectories -I: Current time: Tue Dec 10 04:46:08 -12 2024 -I: pbuilder-time-stamp: 1733849168 +I: removing directory /srv/workspace/pbuilder/1634796 and its subdirectories +I: Current time: Tue Jan 13 12:34:33 +14 2026 +I: pbuilder-time-stamp: 1768257273