Diff of the two buildlogs: -- --- b1/build.log 2025-07-28 20:55:01.560605675 +0000 +++ b2/build.log 2025-07-28 21:39:54.135779772 +0000 @@ -1,7 +1,6 @@ -W: cgroups are not available on the host, not using them. I: pbuilder: network access will be disabled during build -I: Current time: Mon Jul 28 08:21:18 -12 2025 -I: pbuilder-time-stamp: 1753734078 +I: Current time: Mon Aug 31 17:18:05 +14 2026 +I: pbuilder-time-stamp: 1788146285 I: Building the build Environment I: extracting base tarball [/var/cache/pbuilder/trixie-reproducible-base.tgz] I: copying local configuration @@ -26,51 +25,84 @@ dpkg-source: info: applying i386-fix.patch I: Not using root during the build. I: Installing the build-deps -I: user script /srv/workspace/pbuilder/1692223/tmp/hooks/D02_print_environment starting +I: user script /srv/workspace/pbuilder/2799272/tmp/hooks/D01_modify_environment starting +debug: Running on codethink03-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 Aug 31 03:18 /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/2799272/tmp/hooks/D01_modify_environment finished +I: user script /srv/workspace/pbuilder/2799272/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='trixie' - HOME='/root' - HOST_ARCH='arm64' + DIRSTACK=() + DISTRIBUTION=trixie + EUID=0 + FUNCNAME=([0]="Echo" [1]="main") + GROUPS=() + HOME=/root + HOSTNAME=i-capture-the-hostname + HOSTTYPE=aarch64 + HOST_ARCH=arm64 IFS=' ' - 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='1692223' - PS1='# ' - PS2='> ' + INVOCATION_ID=17c35c78b46b485dbce74502d9692cfe + 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=2799272 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.4lsM4vUK/pbuilderrc_DfXL --distribution trixie --hookdir /etc/pbuilder/first-build-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/trixie-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.4lsM4vUK/b1 --logfile b1/build.log meep_1.29.0-2.dsc' - SUDO_GID='109' - SUDO_UID='104' - SUDO_USER='jenkins' - TERM='unknown' - TZ='/usr/share/zoneinfo/Etc/GMT+12' - USER='root' - _='/usr/sbin/chroot' - 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.4lsM4vUK/pbuilderrc_cbnY --distribution trixie --hookdir /etc/pbuilder/rebuild-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/trixie-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.4lsM4vUK/b2 --logfile b2/build.log meep_1.29.0-2.dsc' + SUDO_GID=109 + SUDO_UID=104 + SUDO_USER=jenkins + TERM=unknown + TZ=/usr/share/zoneinfo/Etc/GMT-14 + UID=0 + USER=root + _='I: set' + http_proxy=http://192.168.101.4:3128 I: uname -a - Linux codethink04-arm64 6.1.0-37-cloud-arm64 #1 SMP Debian 6.1.140-1 (2025-05-22) aarch64 GNU/Linux + Linux i-capture-the-hostname 6.1.0-37-cloud-arm64 #1 SMP Debian 6.1.140-1 (2025-05-22) aarch64 GNU/Linux I: ls -l /bin - lrwxrwxrwx 1 root root 7 May 12 19:25 /bin -> usr/bin -I: user script /srv/workspace/pbuilder/1692223/tmp/hooks/D02_print_environment finished + lrwxrwxrwx 1 root root 7 May 12 2025 /bin -> usr/bin +I: user script /srv/workspace/pbuilder/2799272/tmp/hooks/D02_print_environment finished -> Attempting to satisfy build-dependencies -> Creating pbuilder-satisfydepends-dummy package Package: pbuilder-satisfydepends-dummy @@ -430,7 +462,7 @@ Get: 276 http://deb.debian.org/debian trixie/main arm64 python3-matplotlib arm64 3.10.1+dfsg1-4 [23.7 MB] Get: 277 http://deb.debian.org/debian trixie/main arm64 quilt all 0.68-1 [437 kB] Get: 278 http://deb.debian.org/debian trixie/main arm64 swig arm64 4.3.0-1 [1406 kB] -Fetched 214 MB in 4s (51.8 MB/s) +Fetched 214 MB in 3s (68.0 MB/s) Preconfiguring packages ... Selecting previously unselected package libexpat1: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 ... 19964 files and directories currently installed.) @@ -1328,8 +1360,8 @@ Setting up tzdata (2025b-4) ... Current default time zone: 'Etc/UTC' -Local time is now: Mon Jul 28 20:22:51 UTC 2025. -Universal Time is now: Mon Jul 28 20:22:51 UTC 2025. +Local time is now: Mon Aug 31 03:19:20 UTC 2026. +Universal Time is now: Mon Aug 31 03:19:20 UTC 2026. Run 'dpkg-reconfigure tzdata' if you wish to change it. Setting up unicode-data (15.1.0-1) ... @@ -1582,7 +1614,11 @@ Building tag database... -> Finished parsing the build-deps I: Building the package -I: Running cd /build/reproducible-path/meep-1.29.0/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-genchanges -S > ../meep_1.29.0-2_source.changes +I: user script /srv/workspace/pbuilder/2799272/tmp/hooks/A99_set_merged_usr starting +Not re-configuring usrmerge for trixie +I: user script /srv/workspace/pbuilder/2799272/tmp/hooks/A99_set_merged_usr finished +hostname: Name or service not known +I: Running cd /build/reproducible-path/meep-1.29.0/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" HOME="/nonexistent/second-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" HOME="/nonexistent/second-build" dpkg-genchanges -S > ../meep_1.29.0-2_source.changes dpkg-buildpackage: info: source package meep dpkg-buildpackage: info: source version 1.29.0-2 dpkg-buildpackage: info: source distribution unstable @@ -1861,7 +1897,7 @@ make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/src' aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o sphere-quad.o sphere-quad.cpp (echo "/* This file was automatically generated --- DO NOT EDIT */"; echo; sed 's/LOOP_OVER/S1LOOP_OVER/g' ../src/step_generic.cpp | sed 's/step_curl/step_curl_stride1/' | sed 's/step_update_EDHB/step_update_EDHB_stride1/' | sed 's/step_beta/step_beta_stride1/'| sed 's/step_bfast/step_bfast_stride1/') > step_generic_stride1.cpp -/bin/bash ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o sphere_quad sphere-quad.o -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm +/bin/sh ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o sphere_quad sphere-quad.o -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o sphere_quad sphere-quad.o -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/src' (echo "/* This file was automatically generated --- DO NOT EDIT */"; echo; ../src/sphere_quad) > sphere-quad.h @@ -1869,42 +1905,41 @@ make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/src' Making all in support make[5]: Entering directory '/build/reproducible-path/meep-1.29.0/src/support' -/bin/bash ../../libtool --tag=CC --mode=compile aarch64-linux-gnu-gcc -DHAVE_CONFIG_H -I. -I../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -c -o mt19937ar.lo mt19937ar.c +/bin/sh ../../libtool --tag=CC --mode=compile aarch64-linux-gnu-gcc -DHAVE_CONFIG_H -I. -I../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -c -o mt19937ar.lo mt19937ar.c libtool: compile: aarch64-linux-gnu-gcc -DHAVE_CONFIG_H -I. -I../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -c mt19937ar.c -fPIC -DPIC -o .libs/mt19937ar.o libtool: compile: aarch64-linux-gnu-gcc -DHAVE_CONFIG_H -I. -I../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -c mt19937ar.c -fPIC -DPIC -o mt19937ar.o >/dev/null 2>&1 -/bin/bash ../../libtool --tag=CC --mode=link aarch64-linux-gnu-gcc -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o libsupport.la mt19937ar.lo -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm +/bin/sh ../../libtool --tag=CC --mode=link aarch64-linux-gnu-gcc -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o libsupport.la mt19937ar.lo -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-linux-gnu-ar cr .libs/libsupport.a .libs/mt19937ar.o libtool: link: aarch64-linux-gnu-ranlib .libs/libsupport.a libtool: link: ( cd ".libs" && rm -f "libsupport.la" && ln -s "../libsupport.la" "libsupport.la" ) make[5]: Leaving directory '/build/reproducible-path/meep-1.29.0/src/support' make[5]: Entering directory '/build/reproducible-path/meep-1.29.0/src' -/bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o array_slice.lo array_slice.cpp -/bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o anisotropic_averaging.lo anisotropic_averaging.cpp -/bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o bands.lo bands.cpp -/bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o boundaries.lo boundaries.cpp -/bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o bicgstab.lo bicgstab.cpp -/bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o 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meep::make_output_directory(const char*, const char*)': output_directory.cpp:115:35: warning: '-out' directive output may be truncated writing 4 bytes into a region of size between 1 and 300 [-Wformat-truncation=] 115 | snprintf(outdirname, buflen, "%s-out", basename); @@ -2049,41 +2088,12 @@ | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 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-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o step_db.lo step_db.cpp -libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. 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-Werror=format-security -mbranch-protection=standard -Wall -W -c -o mpb.lo mpb.cpp -/bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o update_pols.lo update_pols.cpp In file included from sources.cpp:27: meep_internals.hpp: In constructor 'meep::src_vol::src_vol(meep::component, meep::src_time*, std::vector&&, std::vector >&&, bool)': meep_internals.hpp:81:38: warning: 'meep::src_vol::amp' will be initialized after [-Wreorder] @@ -2095,9 +2105,37 @@ sources.cpp:168:1: warning: when initialized here [-Wreorder] 168 | src_vol::src_vol(component cc, src_time *st, std::vector &&ind, | ^~~~~~~ +/bin/sh ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ 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meep::fields_chunk::step_db(meep::field_type)': +step_db.cpp:189:19: warning: unused variable 'dk' [-Wunused-variable] + 189 | const int dk = gv.iyee_shift(cc).in_direction(dsig); + | ^~ +step_db.cpp:192:19: warning: unused variable 'dku' [-Wunused-variable] + 192 | const int dku = gv.iyee_shift(cc).in_direction(dsigu); + | ^~~ +/bin/sh ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o update_eh.lo update_eh.cpp +libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong 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-Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c sources.cpp -fPIC -DPIC -o sources.o >/dev/null 2>&1 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); @@ -2116,7 +2154,6 @@ | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 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-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c stress.cpp -fPIC -DPIC -o stress.o >/dev/null 2>&1 structure_dump.cpp: In member function 'void meep::structure::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); @@ -2134,14 +2171,17 @@ | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 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-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c update_pols.cpp -fPIC -DPIC -o update_pols.o >/dev/null 2>&1 +libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c update_eh.cpp -fPIC -DPIC -o update_eh.o >/dev/null 2>&1 libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. 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-DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c step_generic.cpp -fPIC -DPIC -o .libs/step_generic.o -/bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o meepgeom.lo meepgeom.cpp +libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c time.cpp -fPIC -DPIC -o time.o >/dev/null 2>&1 +/bin/sh ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o meepgeom.lo meepgeom.cpp step_generic.cpp:90: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 90 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:96: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] @@ -2258,15 +2298,11 @@ 775 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:782: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 782 | PLOOP_OVER_IVECS(gv, is, ie, i) { f[i] = g[i]; } +/bin/sh ../libtool 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-Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c GDSIIgeom.cpp -fPIC -DPIC -o .libs/GDSIIgeom.o +/bin/sh ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o step_generic_stride1.lo step_generic_stride1.cpp step_generic.cpp: In function 'void meep::step_bfast(realnum*, component, const realnum*, const realnum*, ptrdiff_t, ptrdiff_t, const grid_volume&, ivec, ivec, realnum, direction, const realnum*, const realnum*, const realnum*, realnum*, direction, const realnum*, const realnum*, const realnum*, realnum, const realnum*, const realnum*, realnum*, realnum*, realnum, realnum)': step_generic.cpp:434:17: warning: unused variable 'dt2' [-Wunused-variable] 434 | realnum dt2 = dt * 0.5; @@ -2286,7 +2322,8 @@ step_generic.cpp:339:43: warning: unused parameter 'kapu' [-Wunused-parameter] 339 | const RPR sigu, const RPR kapu, const RPR siginvu, realnum dt, const RPR cnd, | ~~~~~~~~~~^~~~ -/bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o step_generic_stride1.lo step_generic_stride1.cpp +libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial 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-W -c step_generic_stride1.cpp -fPIC -DPIC -o .libs/step_generic_stride1.o meepgeom.cpp: In copy constructor 'meep_geom::geom_epsilon::geom_epsilon(const meep_geom::geom_epsilon&)': meepgeom.cpp:711:1: warning: base class 'class meep::material_function' should be explicitly initialized in the copy constructor [-Wextra] @@ -2335,6 +2372,8 @@ meepgeom.cpp:2895:49: warning: comparison of integer expressions of different signedness: 'int' and 'size_t' {aka 'long unsigned int'} [-Wsign-compare] 2895 | if ((num_f_chunks == 0) || (cur_chunk >= num_f_chunks)) continue; | ~~~~~~~~~~^~~~~~~~~~~~~~~ +step_generic_stride1.cpp:92: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 92 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { meepgeom.cpp:2962:35: warning: comparison of integer expressions of different signedness: 'ptrdiff_t' {aka 'long int'} and 'size_t' {aka 'long unsigned int'} [-Wsign-compare] 2962 | fwd1 = ((fwd1_idx >= fwd_chunk->N) || (fwd1_idx < 0)) | ~~~~~~~~~^~~~~~~~~~~~~~~ @@ -2344,8 +2383,6 @@ meepgeom.cpp:3000:25: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 3000 | for (int ii = 0; ii < adjoint_dft_chunks[i].size(); ii++) { | ~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -step_generic_stride1.cpp:92: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 92 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:92: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:98: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 98 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { @@ -2522,7 +2559,6 @@ meepgeom.cpp:2617:1: warning: control reaches end of non-void function [-Wreturn-type] 2617 | } | ^ -libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c step_db.cpp -fPIC -DPIC -o step_db.o >/dev/null 2>&1 step_generic_stride1.cpp: In function 'void meep::step_bfast_stride1(realnum*, component, const realnum*, const realnum*, ptrdiff_t, ptrdiff_t, const grid_volume&, ivec, ivec, realnum, direction, const realnum*, const realnum*, const realnum*, realnum*, direction, const realnum*, const realnum*, const realnum*, realnum, const realnum*, const realnum*, realnum*, realnum*, realnum, realnum)': step_generic_stride1.cpp:436:17: warning: unused variable 'dt2' [-Wunused-variable] 436 | realnum dt2 = dt * 0.5; @@ -2543,6 +2579,8 @@ 341 | const RPR sigu, const RPR kapu, const RPR siginvu, realnum dt, const RPR cnd, | ~~~~~~~~~~^~~~ libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c GDSIIgeom.cpp -fPIC -DPIC -o GDSIIgeom.o >/dev/null 2>&1 +libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c structure.cpp -fPIC -DPIC -o structure.o >/dev/null 2>&1 +libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c vec.cpp -fPIC -DPIC -o vec.o >/dev/null 2>&1 meepgeom.cpp: In function 'void meep_geom::material_grids_addgradient_point(double*, vector3, double, geom_epsilon*, meep::component, meep::component, std::complex, 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, @@ -2552,12 +2590,10 @@ meepgeom.cpp:2760:7: note: 'kind' was declared here 2760 | int kind; | ^~~~ -libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c structure.cpp -fPIC -DPIC -o structure.o >/dev/null 2>&1 -libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c vec.cpp -fPIC -DPIC -o vec.o >/dev/null 2>&1 libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c meepgeom.cpp -fPIC -DPIC -o meepgeom.o >/dev/null 2>&1 -libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c step_generic.cpp -fPIC -DPIC -o step_generic.o >/dev/null 2>&1 libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c step_generic_stride1.cpp -fPIC -DPIC -o step_generic_stride1.o >/dev/null 2>&1 -/bin/bash ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o libmeep.la -rpath /usr/lib/aarch64-linux-gnu array_slice.lo anisotropic_averaging.lo bands.lo boundaries.lo bicgstab.lo casimir.lo cw_fields.lo dft.lo dft_ldos.lo energy_and_flux.lo fields.lo fields_dump.lo fix_boundary_sources.lo loop_in_chunks.lo h5fields.lo h5file.lo initialize.lo integrate.lo integrate2.lo material_data.lo monitor.lo mympi.lo multilevel-atom.lo near2far.lo output_directory.lo random.lo sources.lo step.lo step_db.lo stress.lo structure.lo structure_dump.lo susceptibility.lo time.lo update_eh.lo mpb.lo update_pols.lo vec.lo step_generic.lo meepgeom.lo GDSIIgeom.lo step_generic_stride1.lo support/libsupport.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm +libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c step_generic.cpp -fPIC -DPIC -o step_generic.o >/dev/null 2>&1 +/bin/sh ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o libmeep.la -rpath /usr/lib/aarch64-linux-gnu array_slice.lo anisotropic_averaging.lo bands.lo boundaries.lo bicgstab.lo casimir.lo cw_fields.lo dft.lo dft_ldos.lo energy_and_flux.lo fields.lo fields_dump.lo fix_boundary_sources.lo loop_in_chunks.lo h5fields.lo h5file.lo initialize.lo integrate.lo integrate2.lo material_data.lo monitor.lo mympi.lo multilevel-atom.lo near2far.lo output_directory.lo random.lo sources.lo step.lo step_db.lo stress.lo structure.lo structure_dump.lo susceptibility.lo time.lo update_eh.lo mpb.lo update_pols.lo vec.lo step_generic.lo meepgeom.lo GDSIIgeom.lo step_generic_stride1.lo support/libsupport.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crti.o /usr/lib/gcc/aarch64-linux-gnu/14/crtbeginS.o .libs/array_slice.o .libs/anisotropic_averaging.o .libs/bands.o .libs/boundaries.o .libs/bicgstab.o .libs/casimir.o .libs/cw_fields.o .libs/dft.o .libs/dft_ldos.o .libs/energy_and_flux.o .libs/fields.o .libs/fields_dump.o .libs/fix_boundary_sources.o .libs/loop_in_chunks.o .libs/h5fields.o .libs/h5file.o .libs/initialize.o .libs/integrate.o .libs/integrate2.o .libs/material_data.o .libs/monitor.o .libs/mympi.o .libs/multilevel-atom.o .libs/near2far.o .libs/output_directory.o .libs/random.o .libs/sources.o .libs/step.o .libs/step_db.o .libs/stress.o .libs/structure.o .libs/structure_dump.o .libs/susceptibility.o .libs/time.o .libs/update_eh.o .libs/mpb.o .libs/update_pols.o .libs/vec.o .libs/step_generic.o .libs/meepgeom.o .libs/GDSIIgeom.o .libs/step_generic_stride1.o -Wl,--whole-archive support/.libs/libsupport.a -Wl,--no-whole-archive -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -lfftw3 -lgfortran -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/aarch64-linux-gnu/14/crtendS.o /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -mbranch-protection=standard -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -Wl,-soname -Wl,libmeep.so.33 -o .libs/libmeep.so.33.0.0 libtool: link: (cd ".libs" && rm -f "libmeep.so.33" && ln -s "libmeep.so.33.0.0" "libmeep.so.33") libtool: link: (cd ".libs" && rm -f "libmeep.so" && ln -s "libmeep.so.33.0.0" "libmeep.so") @@ -2585,11 +2621,11 @@ ;;; or pass the --no-auto-compile argument to disable. ;;; compiling /usr/share/libctl/base/include.scm ;;; compiled /build/reproducible-path/meep-1.29.0/debian/.debhelper/generated/_source/home/.cache/guile/ccache/3.0-LE-8-4.7/usr/share/libctl/base/include.scm.go +swig -I../src -c++ -guile -o meep_wrap.cxx ./meep.i ;;; note: auto-compilation is enabled, set GUILE_AUTO_COMPILE=0 ;;; or pass the --no-auto-compile argument to disable. ;;; compiling /usr/share/libctl/base/include.scm ;;; compiled /build/reproducible-path/meep-1.29.0/debian/.debhelper/generated/_source/home/.cache/guile/ccache/3.0-LE-8-4.7/usr/share/libctl/base/include.scm.go -swig -I../src -c++ -guile -o meep_wrap.cxx ./meep.i cp -f /usr/share/libctl/base/main.c main.cpp cp -f /usr/share/libctl/utils/geom.c geom.cpp gen-ctl-io --cxx --code -o ctl-io.cpp meep.scm /usr/share/libctl @@ -2646,6 +2682,24 @@ 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:36080:12: warning: type qualifiers ignored on cast result type [-Wignored-qualifiers] 36080 | arg1 = (meep::component const) scm_to_int(argv[0]); @@ -2667,31 +2721,13 @@ meep_wrap.cxx:36212:12: warning: type qualifiers ignored on cast result type [-Wignored-qualifiers] 36212 | arg2 = (meep::component const) scm_to_int(argv[1]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -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-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o meep meep-meep.o meep-structure.o meep-meep_wrap.o meep-main.o meep-geom.o meep-ctl-io.o ../src/libmeep.la -lctl -lguile-3.0 -lgc -lpthread -ldl -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm +/bin/sh ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o meep meep-meep.o meep-structure.o meep-meep_wrap.o meep-main.o meep-geom.o meep-ctl-io.o ../src/libmeep.la -lctl -lguile-3.0 -lgc -lpthread -ldl -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o .libs/meep meep-meep.o meep-structure.o meep-meep_wrap.o meep-main.o meep-geom.o meep-ctl-io.o ../src/.libs/libmeep.so -lctl -lguile-3.0 -lgc -lpthread -ldl -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/scheme' make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/scheme' Making all in libpympb make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/libpympb' -/bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -Wfatal-errors -I../src -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o libpympb_la-pympb.lo `test -f 'pympb.cpp' || echo './'`pympb.cpp +/bin/sh ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -Wfatal-errors -I../src -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o libpympb_la-pympb.lo `test -f 'pympb.cpp' || echo './'`pympb.cpp libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -Wfatal-errors -I../src -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c pympb.cpp -fPIC -DPIC -o .libs/libpympb_la-pympb.o pympb.cpp:46:1: warning: multi-line comment [-Wcomment] 46 | // #define LOOP_XYZ(md) \ @@ -2716,7 +2752,7 @@ 2028 | mpi_allreduce(sq_sum2, sq_sum, 2, mpb_real, SCALAR_MPI_TYPE, MPI_SUM, mpb_comm); | ^~~~~~~~~~~~~ libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -Wfatal-errors -I../src -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c pympb.cpp -fPIC -DPIC -o libpympb_la-pympb.o >/dev/null 2>&1 -/bin/bash ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o libpympb.la -rpath /usr/lib/aarch64-linux-gnu libpympb_la-pympb.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm +/bin/sh ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o libpympb.la -rpath /usr/lib/aarch64-linux-gnu libpympb_la-pympb.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crti.o /usr/lib/gcc/aarch64-linux-gnu/14/crtbeginS.o .libs/libpympb_la-pympb.o -Wl,-rpath -Wl,/build/reproducible-path/meep-1.29.0/src/.libs ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/aarch64-linux-gnu/14/crtendS.o /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -mbranch-protection=standard -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -Wl,-soname -Wl,libpympb.so.33 -o .libs/libpympb.so.33.0.0 libtool: link: (cd ".libs" && rm -f "libpympb.so.33" && ln -s "libpympb.so.33.0.0" "libpympb.so.33") libtool: link: (cd ".libs" && rm -f "libpympb.so" && ln -s "libpympb.so.33.0.0" "libpympb.so") @@ -2742,10 +2778,10 @@ fi make all-am make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/python' -/bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o _meep_la-meep-python.lo `test -f 'meep-python.cxx' || echo './'`meep-python.cxx -/bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o _mpb_la-mpb-python.lo `test -f 'mpb-python.cxx' || echo './'`mpb-python.cxx -libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c mpb-python.cxx -fPIC -DPIC -o .libs/_mpb_la-mpb-python.o +/bin/sh ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o _meep_la-meep-python.lo `test -f 'meep-python.cxx' || echo './'`meep-python.cxx +/bin/sh ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o _mpb_la-mpb-python.lo `test -f 'mpb-python.cxx' || echo './'`mpb-python.cxx libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c 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/python3.13 -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c mpb-python.cxx -fPIC -DPIC -o .libs/_mpb_la-mpb-python.o In file included from mpb-python.cxx:3409: typemap_utils.cpp:115:18: warning: 'PyObject* py_volume_object()' defined but not used [-Wunused-function] 115 | static PyObject *py_volume_object() { @@ -2813,13 +2849,13 @@ meep-python.cxx:126313:53: warning: unused parameter 'self' [-Wunused-parameter] 126313 | SWIGINTERN PyObject *_wrap_master_fprintf(PyObject *self, PyObject *args) { | ~~~~~~~~~~^~~~ -libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c mpb-python.cxx -fPIC -DPIC -o _mpb_la-mpb-python.o >/dev/null 2>&1 In file included from meep-python.cxx:4104: typemap_utils.cpp: At global scope: typemap_utils.cpp:115:18: warning: 'PyObject* py_volume_object()' defined but not used [-Wunused-function] 115 | static PyObject *py_volume_object() { | ^~~~~~~~~~~~~~~~ -/bin/bash ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -module -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o _mpb.la -rpath /usr/lib/python3.13/site-packages/meep/mpb _mpb_la-mpb-python.lo ../libpympb/libpympb.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm +libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c mpb-python.cxx -fPIC -DPIC -o _mpb_la-mpb-python.o >/dev/null 2>&1 +/bin/sh ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -module -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o _mpb.la -rpath /usr/lib/python3.13/site-packages/meep/mpb _mpb_la-mpb-python.lo ../libpympb/libpympb.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm 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-1.29.0/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 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -mbranch-protection=standard -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -Wl,-soname -Wl,_mpb.so.33 -o .libs/_mpb.so.33.0.0 libtool: link: (cd ".libs" && rm -f "_mpb.so.33" && ln -s "_mpb.so.33.0.0" "_mpb.so.33") libtool: link: (cd ".libs" && rm -f "_mpb.so" && ln -s "_mpb.so.33.0.0" "_mpb.so") @@ -2827,7 +2863,7 @@ 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/python3.13 -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c 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-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -module -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o _meep.la -rpath /usr/lib/python3.13/site-packages/meep _meep_la-meep-python.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm +/bin/sh ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -module -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o _meep.la -rpath /usr/lib/python3.13/site-packages/meep _meep_la-meep-python.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm 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-1.29.0/src/.libs ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/aarch64-linux-gnu/14/crtendS.o /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -mbranch-protection=standard -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -Wl,-soname -Wl,_meep.so.33 -o .libs/_meep.so.33.0.0 libtool: link: (cd ".libs" && rm -f "_meep.so.33" && ln -s "_meep.so.33.0.0" "_meep.so.33") libtool: link: (cd ".libs" && rm -f "_meep.so" && ln -s "_meep.so.33.0.0" "_meep.so") @@ -2882,94 +2918,94 @@ make aniso_disp bench bragg_transmission convergence_cyl_waveguide cylindrical dump_load flux harmonics integrate known_results near2far one_dimensional physical stress_tensor symmetry three_d two_dimensional 2D_convergence h5test pml pw-source-ll ring-ll cyl-ellipsoid-ll absorber-1d-ll array-slice-ll user-defined-material dft-fields gdsII-3d bend-flux-ll array-metadata make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/tests' aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -DDATADIR=\"./\" -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o aniso_disp.o aniso_disp.cpp -/bin/bash ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 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-DHAVE_CONFIG_H -I. -I.. -I../src -DDATADIR=\"./\" -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o convergence_cyl_waveguide.o convergence_cyl_waveguide.cpp -/bin/bash ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o convergence_cyl_waveguide convergence_cyl_waveguide.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 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-Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o bend-flux-ll bend-flux-ll.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o .libs/bend-flux-ll bend-flux-ll.o ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -DDATADIR=\"./\" -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o array-metadata.o array-metadata.cpp -/bin/bash ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o array-metadata array-metadata.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm +/bin/sh ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o array-metadata array-metadata.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o .libs/array-metadata array-metadata.o ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/tests' make check-TESTS @@ -3387,10 +3423,10 @@ ./tests/2D_convergence.cpp ./src ./src/libmeep.la -./src/step_generic_stride1.lo -./src/step_generic_stride1.o ./src/step_generic.lo +./src/step_generic_stride1.lo ./src/step_generic.o +./src/step_generic_stride1.o ./src/meepgeom.lo ./src/meepgeom.o ./src/structure.lo @@ -3401,62 +3437,62 @@ ./src/step_db.o ./src/GDSIIgeom.lo ./src/GDSIIgeom.o -./src/sources.lo -./src/sources.o -./src/mpb.lo -./src/mpb.o -./src/update_eh.lo ./src/susceptibility.lo ./src/susceptibility.o -./src/update_eh.o -./src/time.lo -./src/time.o +./src/mpb.lo +./src/mpb.o ./src/structure_dump.lo +./src/time.lo ./src/structure_dump.o -./src/stress.lo -./src/stress.o +./src/time.o +./src/update_eh.lo +./src/sources.lo +./src/update_eh.o +./src/sources.o +./src/update_pols.lo +./src/update_pols.o ./src/near2far.lo ./src/near2far.o +./src/stress.lo +./src/stress.o ./src/step.lo ./src/step.o -./src/update_pols.lo -./src/update_pols.o -./src/boundaries.lo -./src/anisotropic_averaging.lo -./src/boundaries.o -./src/anisotropic_averaging.o -./src/random.lo +./src/multilevel-atom.lo +./src/multilevel-atom.o ./src/output_directory.lo -./src/random.o +./src/random.lo ./src/output_directory.o +./src/random.o +./src/monitor.lo +./src/monitor.o +./src/boundaries.lo ./src/mympi.lo ./src/mympi.o +./src/boundaries.o +./src/material_data.lo +./src/material_data.o +./src/loop_in_chunks.lo +./src/loop_in_chunks.o ./src/integrate2.lo ./src/integrate2.o -./src/multilevel-atom.lo -./src/multilevel-atom.o ./src/dft.lo -./src/material_data.lo -./src/material_data.o -./src/initialize.lo -./src/dft.o -./src/initialize.o ./src/integrate.lo ./src/integrate.o -./src/monitor.lo -./src/monitor.o +./src/dft.o +./src/anisotropic_averaging.lo +./src/anisotropic_averaging.o ./src/h5fields.lo ./src/h5fields.o -./src/loop_in_chunks.lo -./src/loop_in_chunks.o +./src/initialize.lo +./src/initialize.o ./src/fix_boundary_sources.lo +./src/fields.lo ./src/fix_boundary_sources.o +./src/fields.o ./src/h5file.lo ./src/h5file.o ./src/array_slice.lo ./src/array_slice.o -./src/fields.lo -./src/fields.o ./src/cw_fields.lo ./src/cw_fields.o ./src/fields_dump.lo @@ -3464,13 +3500,13 @@ ./src/casimir.lo ./src/casimir.o ./src/energy_and_flux.lo +./src/bicgstab.lo ./src/energy_and_flux.o -./src/bands.lo -./src/bands.o +./src/bicgstab.o ./src/dft_ldos.lo ./src/dft_ldos.o -./src/bicgstab.lo -./src/bicgstab.o +./src/bands.lo +./src/bands.o ./src/sphere-quad.h ./src/sphere_quad ./src/.libs @@ -3480,48 +3516,48 @@ ./src/.libs/libmeep.so ./src/.libs/libmeep.so.33 ./src/.libs/libmeep.so.33.0.0 -./src/.libs/step_generic_stride1.o ./src/.libs/step_generic.o +./src/.libs/step_generic_stride1.o ./src/.libs/meepgeom.o -./src/.libs/structure.o ./src/.libs/vec.o +./src/.libs/structure.o ./src/.libs/GDSIIgeom.o ./src/.libs/step_db.o -./src/.libs/update_eh.o -./src/.libs/mpb.o -./src/.libs/sources.o -./src/.libs/susceptibility.o ./src/.libs/time.o ./src/.libs/update_pols.o +./src/.libs/susceptibility.o +./src/.libs/mpb.o ./src/.libs/structure_dump.o +./src/.libs/update_eh.o +./src/.libs/sources.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/integrate2.o -./src/.libs/monitor.o ./src/.libs/integrate.o +./src/.libs/loop_in_chunks.o ./src/.libs/initialize.o ./src/.libs/h5fields.o +./src/.libs/fix_boundary_sources.o ./src/.libs/h5file.o -./src/.libs/anisotropic_averaging.o ./src/.libs/boundaries.o -./src/.libs/loop_in_chunks.o +./src/.libs/anisotropic_averaging.o ./src/.libs/dft.o -./src/.libs/fix_boundary_sources.o -./src/.libs/array_slice.o ./src/.libs/fields.o +./src/.libs/array_slice.o ./src/.libs/cw_fields.o +./src/.libs/casimir.o ./src/.libs/fields_dump.o ./src/.libs/energy_and_flux.o -./src/.libs/casimir.o -./src/.libs/bands.o ./src/.libs/dft_ldos.o ./src/.libs/bicgstab.o +./src/.libs/bands.o ./src/sphere-quad.o ./src/step_generic_stride1.cpp ./src/Makefile @@ -3610,8 +3646,8 @@ ./scheme/geom.cpp ./scheme/main.cpp ./scheme/meep-enums.scm -./scheme/meep_swig_bug_workaround.i ./scheme/ctl-io.h +./scheme/meep_swig_bug_workaround.i ./scheme/meep_enum_renames.i ./scheme/meep_renames.i ./scheme/ctl-io.i @@ -3750,10 +3786,10 @@ ./python/.libs/_mpb.so.33.0.0 ./python/.libs/_mpb_la-mpb-python.o ./python/__init__.py -./python/meep.py -./python/meep-python.cxx ./python/mpb.py ./python/mpb-python.cxx +./python/meep.py +./python/meep-python.cxx ./python/Makefile ./python/Makefile.in ./python/visualization.py @@ -4531,8 +4567,8 @@ FAIL: tests/test_adjoint_solver =============================== -mkdir -p failed for path /nonexistent/first-build/.config/matplotlib: [Errno 13] Permission denied: '/nonexistent' -Matplotlib created a temporary cache directory at /tmp/matplotlib-stplhawp because there was an issue with the default path (/nonexistent/first-build/.config/matplotlib); 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. +mkdir -p failed for path /nonexistent/second-build/.config/matplotlib: [Errno 13] Permission denied: '/nonexistent' +Matplotlib created a temporary cache directory at /tmp/matplotlib-nwj122ev because there was an issue with the default path (/nonexistent/second-build/.config/matplotlib); it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_adjoint_solver.py", line 4, in import meep.adjoint as mpa @@ -4553,14 +4589,14 @@ from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' -Elapsed run time = 0.5017 s +Elapsed run time = 0.2541 s FAIL tests/test_adjoint_solver.py (exit status: 1) FAIL: tests/test_adjoint_utils ============================== -mkdir -p failed for path /nonexistent/first-build/.config/matplotlib: [Errno 13] Permission denied: '/nonexistent' -Matplotlib created a temporary cache directory at /tmp/matplotlib-uxj2nm9g because there was an issue with the default path (/nonexistent/first-build/.config/matplotlib); 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. +mkdir -p failed for path /nonexistent/second-build/.config/matplotlib: [Errno 13] Permission denied: '/nonexistent' +Matplotlib created a temporary cache directory at /tmp/matplotlib-bg8xnzum because there was an issue with the default path (/nonexistent/second-build/.config/matplotlib); it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_adjoint_utils.py", line 11, in import meep.adjoint as mpa @@ -4581,14 +4617,14 @@ from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' -Elapsed run time = 0.2009 s +Elapsed run time = 0.2086 s FAIL tests/test_adjoint_utils.py (exit status: 1) FAIL: tests/test_adjoint_cyl ============================ -mkdir -p failed for path /nonexistent/first-build/.config/matplotlib: [Errno 13] Permission denied: '/nonexistent' -Matplotlib created a temporary cache directory at /tmp/matplotlib-ncdy7m1s because there was an issue with the default path (/nonexistent/first-build/.config/matplotlib); 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. +mkdir -p failed for path /nonexistent/second-build/.config/matplotlib: [Errno 13] Permission denied: '/nonexistent' +Matplotlib created a temporary cache directory at /tmp/matplotlib-ar6bzhr8 because there was an issue with the default path (/nonexistent/second-build/.config/matplotlib); it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_adjoint_cyl.py", line 4, in import meep.adjoint as mpa @@ -4609,7 +4645,7 @@ from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' -Elapsed run time = 0.2048 s +Elapsed run time = 0.2159 s FAIL tests/test_adjoint_cyl.py (exit status: 1) FAIL: tests/test_adjoint_jax @@ -4624,8 +4660,8 @@ FAIL: tests/test_binary_partition_utils ======================================= -mkdir -p failed for path /nonexistent/first-build/.config/matplotlib: [Errno 13] Permission denied: '/nonexistent' -Matplotlib created a temporary cache directory at /tmp/matplotlib-ph08i0kv because there was an issue with the default path (/nonexistent/first-build/.config/matplotlib); 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. +mkdir -p failed for path /nonexistent/second-build/.config/matplotlib: [Errno 13] Permission denied: '/nonexistent' +Matplotlib created a temporary cache directory at /tmp/matplotlib-hirp0ljl because there was an issue with the default path (/nonexistent/second-build/.config/matplotlib); it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_binary_partition_utils.py", line 6, in import parameterized @@ -4646,21 +4682,21 @@ FAIL: tests/test_chunk_balancer =============================== -mkdir -p failed for path /nonexistent/first-build/.config/matplotlib: [Errno 13] Permission denied: '/nonexistent' -Matplotlib created a temporary cache directory at /tmp/matplotlib-2us8cgjl because there was an issue with the default path (/nonexistent/first-build/.config/matplotlib); 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. +mkdir -p failed for path /nonexistent/second-build/.config/matplotlib: [Errno 13] Permission denied: '/nonexistent' +Matplotlib created a temporary cache directory at /tmp/matplotlib-a7bcbw92 because there was an issue with the default path (/nonexistent/second-build/.config/matplotlib); it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_chunk_balancer.py", line 5, in import parameterized ModuleNotFoundError: No module named 'parameterized' -Elapsed run time = 0.0012 s +Elapsed run time = 0.0013 s FAIL tests/test_chunk_balancer.py (exit status: 1) FAIL: tests/test_get_epsilon_grid ================================= -mkdir -p failed for path /nonexistent/first-build/.config/matplotlib: [Errno 13] Permission denied: '/nonexistent' -Matplotlib created a temporary cache directory at /tmp/matplotlib-7ztsqdbq because there was an issue with the default path (/nonexistent/first-build/.config/matplotlib); 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. +mkdir -p failed for path /nonexistent/second-build/.config/matplotlib: [Errno 13] Permission denied: '/nonexistent' +Matplotlib created a temporary cache directory at /tmp/matplotlib-3164b9i5 because there was an issue with the default path (/nonexistent/second-build/.config/matplotlib); it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_get_epsilon_grid.py", line 3, in import meep.adjoint as mpa @@ -4670,14 +4706,14 @@ from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' -Elapsed run time = 0.1980 s +Elapsed run time = 0.7069 s FAIL tests/test_get_epsilon_grid.py (exit status: 1) FAIL: tests/test_material_grid ============================== -mkdir -p failed for path /nonexistent/first-build/.config/matplotlib: [Errno 13] Permission denied: '/nonexistent' -Matplotlib created a temporary cache directory at /tmp/matplotlib-izesb9cz because there was an issue with the default path (/nonexistent/first-build/.config/matplotlib); 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. +mkdir -p failed for path /nonexistent/second-build/.config/matplotlib: [Errno 13] Permission denied: '/nonexistent' +Matplotlib created a temporary cache directory at /tmp/matplotlib-tdm7b83l because there was an issue with the default path (/nonexistent/second-build/.config/matplotlib); it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_material_grid.py", line 4, in import meep.adjoint as mpa @@ -4698,16 +4734,16 @@ from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' -Elapsed run time = 0.2108 s +Elapsed run time = 1.0184 s FAIL tests/test_material_grid.py (exit status: 1) FAIL: tests/test_mpb ==================== -mkdir -p failed for path /nonexistent/first-build/.config/matplotlib: [Errno 13] Permission denied: '/nonexistent' -Matplotlib created a temporary cache directory at /tmp/matplotlib-uw9niaoo because there was an issue with the default path (/nonexistent/first-build/.config/matplotlib); 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. +mkdir -p failed for path /nonexistent/second-build/.config/matplotlib: [Errno 13] Permission denied: '/nonexistent' +Matplotlib created a temporary cache directory at /tmp/matplotlib-b257m7_6 because there was an issue with the default path (/nonexistent/second-build/.config/matplotlib); 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/meepzSgSEm/test_anisotropic_2d_gap-0 +/tmp/meepQTEdbH/test_anisotropic_2d_gap-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -4750,7 +4786,7 @@ 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: 0.001932382583618164 +elapsed time for initialization: 0.028308868408203125 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... @@ -4861,7 +4897,7 @@ 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: 0.12137222290039062 +elapsed time for k point: 0.30329322814941406 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -4956,7 +4992,7 @@ 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: 0.15744590759277344 +elapsed time for k point: 0.34082508087158203 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. @@ -5049,7 +5085,7 @@ 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: 0.15444469451904297 +elapsed time for k point: 0.42009472846984863 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 10 iterations. @@ -5150,7 +5186,7 @@ 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: 0.1698746681213379 +elapsed time for k point: 0.37464165687561035 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -5233,7 +5269,7 @@ 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: 0.13633012771606445 +elapsed time for k point: 0.3444859981536865 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -5310,7 +5346,7 @@ 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: 0.12575840950012207 +elapsed time for k point: 0.3156859874725342 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -5391,7 +5427,7 @@ 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: 0.13281679153442383 +elapsed time for k point: 0.22679734230041504 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -5470,7 +5506,7 @@ 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: 0.12958002090454102 +elapsed time for k point: 0.2716333866119385 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -5551,7 +5587,7 @@ 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: 0.13302230834960938 +elapsed time for k point: 0.1641690731048584 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -5640,7 +5676,7 @@ 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: 0.1467299461364746 +elapsed time for k point: 0.2182145118713379 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -5752,7 +5788,7 @@ 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: 0.18385696411132812 +elapsed time for k point: 0.2597379684448242 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -5846,7 +5882,7 @@ 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: 0.15428972244262695 +elapsed time for k point: 0.18146944046020508 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -5919,7 +5955,7 @@ 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: 0.1187887191772461 +elapsed time for k point: 0.15467357635498047 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. @@ -6006,7 +6042,7 @@ 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: 0.14340615272521973 +elapsed time for k point: 0.26029157638549805 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. @@ -6087,7 +6123,7 @@ 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: 0.13312673568725586 +elapsed time for k point: 0.3018529415130615 solve_kpoint (0,0,0): Solving for bands 3 to 8... linmin: converged after 4 iterations. @@ -6172,7 +6208,7 @@ 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: 0.09185338020324707 +..elapsed time for k point: 0.23992514610290527 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> @@ -6181,15 +6217,15 @@ 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: 2.236268997192383 +total elapsed time for run: 4.407803535461426 done -/tmp/meepzSgSEm/test_anisotropic_2d_gap-0: 2.24s +/tmp/meepQTEdbH/test_anisotropic_2d_gap-0: 4.44s -/tmp/meepzSgSEm/test_attribute_accessors-0 +/tmp/meepQTEdbH/test_attribute_accessors-0 ======================== -/tmp/meepzSgSEm/test_attribute_accessors-0: 0.00s +/tmp/meepQTEdbH/test_attribute_accessors-0: 0.01s -/tmp/meepzSgSEm/test_bragg-0 +/tmp/meepQTEdbH/test_bragg-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -6217,7 +6253,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.0, 0.0> -elapsed time for initialization: 0.00019598007202148438 +elapsed time for initialization: 0.00018715858459472656 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... @@ -6241,21 +6277,21 @@ 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 62.8205%) + switching to approximate line minimization (decrease time by 62.7451%) 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: 0.001859426498413086 -total elapsed time for run: 0.0021331310272216797 +elapsed time for k point: 0.0018563270568847656 +total elapsed time for run: 0.0021142959594726562 done Fixing h-field (band 8) phase by 0.909537 + -0.415623i; max ampl. = 1.96664 -.Outputting fields to /tmp/meepzSgSEm/test_bragg-0-h.k01.b08.y.tm.h5... -/tmp/meepzSgSEm/test_bragg-0: 0.03s +.Outputting fields to /tmp/meepQTEdbH/test_bragg-0-h.k01.b08.y.tm.h5... +/tmp/meepQTEdbH/test_bragg-0: 0.06s -/tmp/meepzSgSEm/test_bragg_sine-0 +/tmp/meepQTEdbH/test_bragg_sine-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -6291,7 +6327,7 @@ 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: 0.003389120101928711 +elapsed time for initialization: 0.03468060493469238 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... @@ -6325,7 +6361,7 @@ 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 50.9804%) + switching to approximate line minimization (decrease time by 54.1667%) 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) @@ -6341,13 +6377,13 @@ iteration 26: trace = 11.07167451350871 (5.36837e-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: 0.0025484561920166016 +elapsed time for k point: 0.0075571537017822266 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) linmin: converged after 11 iterations. - switching to approximate line minimization (decrease time by 55.3846%) + 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) switching back to exact line minimization @@ -6518,7 +6554,7 @@ iteration 84: trace = 10.98801409304146 (6.64274e-11% change) Finished solving for bands 1 to 8 after 84 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: 0.010420799255371094 +elapsed time for k point: 0.03862738609313965 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -6543,7 +6579,7 @@ iteration 10: trace = 10.90344604730442 (1.08829e-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: 0.0013091564178466797 +elapsed time for k point: 0.001310586929321289 solve_kpoint (0.15,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -6568,7 +6604,7 @@ iteration 10: trace = 10.82863032375297 (3.01838e-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: 0.0012195110321044922 +elapsed time for k point: 0.0012226104736328125 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -6591,7 +6627,7 @@ 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: 0.0011124610900878906 +elapsed time for k point: 0.0011043548583984375 solve_kpoint (0.25,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -6614,7 +6650,7 @@ iteration 9: trace = 10.70882562781128 (2.70049e-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: 0.0011560916900634766 +elapsed time for k point: 0.0012187957763671875 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -6637,7 +6673,7 @@ iteration 9: trace = 10.66388494713049 (1.40424e-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: 0.0010955333709716797 +elapsed time for k point: 0.001117706298828125 solve_kpoint (0.35,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -6660,7 +6696,7 @@ iteration 9: trace = 10.62892804596352 (6.73513e-12% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 8, 0.35, 0, 0, 0.35, 0.15832, 0.342396, 0.6806, 0.835947, 1.18029, 1.33065, 1.67864, 1.82841 -elapsed time for k point: 0.0010809898376464844 +elapsed time for k point: 0.0010995864868164062 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -6681,7 +6717,7 @@ 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: 0.0010066032409667969 +elapsed time for k point: 0.0009794235229492188 solve_kpoint (0.45,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -6691,56 +6727,60 @@ linmin: converged after 6 iterations. iteration 3: trace = 10.58897488550179 (3.84445e-05% change) linmin: converged after 2 iterations. - switching to approximate line minimization (decrease time by 55.0725%) iteration 4: trace = 10.58897478737543 (9.26684e-07% change) + linmin: converged after 2 iterations. iteration 5: trace = 10.58897478401991 (3.16888e-08% change) - iteration 6: trace = 10.58897478378886 (2.18199e-09% change) - iteration 7: trace = 10.58897478377235 (1.55929e-10% change) - iteration 8: trace = 10.58897478377203 (2.95249e-12% 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) + linmin: converged after 2 iterations. + iteration 8: trace = 10.58897478377204 (2.91894e-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: 0.0022537708282470703 +elapsed time for k point: 0.0009961128234863281 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 10.58406017889886 (0.00705116% change) - linmin: converged after 4 iterations. - iteration 2: trace = 10.58398461985988 (0.000713897% change) + switching to approximate line minimization (decrease time by 54.3478%) + iteration 1: trace = 10.58406017889885 (0.00705116% change) + switching back to exact line minimization + iteration 2: trace = 10.58398462033841 (0.000713893% change) linmin: converged after 5 iterations. - iteration 3: trace = 10.58398056403726 (3.83204e-05% change) + iteration 3: trace = 10.58398056409535 (3.83244e-05% change) linmin: converged after 2 iterations. - iteration 4: trace = 10.58398046806651 (9.06755e-07% change) + iteration 4: trace = 10.58398046807624 (9.07212e-07% change) linmin: converged after 2 iterations. - iteration 5: trace = 10.58398046509703 (2.80563e-08% change) + iteration 5: trace = 10.58398046509853 (2.81341e-08% change) linmin: converged after 2 iterations. - iteration 6: trace = 10.58398046493152 (1.56373e-09% change) + iteration 6: trace = 10.58398046493158 (1.57736e-09% change) linmin: converged after 2 iterations. - iteration 7: trace = 10.58398046491724 (1.34939e-10% change) + iteration 7: trace = 10.58398046491724 (1.35476e-10% change) linmin: converged after 1 iterations. - iteration 8: trace = 10.58398046491708 (1.49373e-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: 0.0010027885437011719 -Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.19477466366820306 at Vector3<0.5, 0.0, 0.0> -Band 2 range: 0.30640302623084437 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 0.7316504426541638 at Vector3<0.5, 0.0, 0.0> -Band 4 range: 0.7842615905093809 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 1.2440980042025873 at Vector3<0.5, 0.0, 0.0> -Band 6 range: 1.2666566861855062 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 1.7488359039910497 at Vector3<0.5, 0.0, 0.0> -Band 8 range: 1.7581683208483623 at Vector3<0.5, 0.0, 0.0> to 1.9999072006824996 at Vector3<0.0, 0.0, 0.0> -Gap from band 1 (0.19477466366820306) to band 2 (0.30640302623084437), 44.54642128428609% +.elapsed time for k point: 0.01953411102294922 +Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.19477466366820312 at Vector3<0.5, 0.0, 0.0> +Band 2 range: 0.3064030262308439 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: 0.7842615905093815 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 1.2440980042025869 at Vector3<0.5, 0.0, 0.0> +Band 6 range: 1.266656686185507 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 1.7488359039910515 at Vector3<0.5, 0.0, 0.0> +Band 8 range: 1.7581683208483634 at Vector3<0.5, 0.0, 0.0> to 1.9999072006824996 at Vector3<0.0, 0.0, 0.0> +Gap from band 1 (0.19477466366820312) to band 2 (0.3064030262308439), 44.546421284285934% Gap from band 2 (0.46877485258675194) to band 3 (0.5466257501316379), 15.334026262436064% -Gap from band 3 (0.7316504426541638) to band 4 (0.7842615905093809), 6.9411874441584% +Gap from band 3 (0.7316504426541639) to band 4 (0.7842615905093815), 6.941187444158456% Gap from band 4 (0.9893486155437461) to band 5 (1.0240548648146843), 3.447520540171089% -Gap from band 5 (1.2440980042025873) to band 6 (1.2666566861855062), 1.7969642410132811% +Gap from band 5 (1.2440980042025869) to band 6 (1.266656686185507), 1.7969642410133873% Gap from band 6 (1.4970379696966398) to band 7 (1.5115800994652084), 0.9666982936534588% -Gap from band 7 (1.7488359039910497) to band 8 (1.7581683208483623), 0.5322158890606926% -total elapsed time for run: 0.028121232986450195 +Gap from band 7 (1.7488359039910515) to band 8 (1.7581683208483634), 0.5322158890606542% +total elapsed time for run: 0.12032866477966309 done -/tmp/meepzSgSEm/test_bragg_sine-0: 0.03s +/tmp/meepQTEdbH/test_bragg_sine-0: 0.12s -/tmp/meepzSgSEm/test_compute_field_energy-0 +/tmp/meepQTEdbH/test_compute_field_energy-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -6783,7 +6823,7 @@ 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: 0.001402139663696289 +elapsed time for initialization: 0.001369476318359375 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... @@ -6894,7 +6934,7 @@ 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: 0.14514803886413574 +elapsed time for k point: 0.388077974319458 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -7145,7 +7185,7 @@ 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: 0.4128572940826416 +elapsed time for k point: 1.1597564220428467 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7202,7 +7242,7 @@ 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: 0.0901031494140625 +elapsed time for k point: 0.20902252197265625 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7255,7 +7295,7 @@ 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: 0.08254289627075195 +elapsed time for k point: 0.21806764602661133 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7316,7 +7356,7 @@ 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: 0.09638142585754395 +elapsed time for k point: 0.14523887634277344 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7409,7 +7449,7 @@ 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: 0.1496586799621582 +elapsed time for k point: 0.18590879440307617 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -7480,7 +7520,7 @@ 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: 0.11545586585998535 +elapsed time for k point: 0.14184117317199707 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7541,7 +7581,7 @@ 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: 0.09758734703063965 +elapsed time for k point: 0.21920442581176758 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7594,7 +7634,7 @@ 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: 0.08379530906677246 +elapsed time for k point: 0.10862278938293457 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7646,7 +7686,7 @@ 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: 0.08035755157470703 +elapsed time for k point: 0.18775415420532227 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7698,7 +7738,7 @@ 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: 0.08011198043823242 +elapsed time for k point: 0.18473243713378906 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7739,7 +7779,7 @@ 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: 0.06344842910766602 +elapsed time for k point: 0.14723873138427734 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7786,7 +7826,7 @@ 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: 0.0737309455871582 +elapsed time for k point: 0.17908692359924316 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7849,7 +7889,7 @@ 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: 0.10107874870300293 +elapsed time for k point: 0.22939443588256836 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7922,7 +7962,7 @@ 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: 0.12739062309265137 +elapsed time for k point: 0.23125863075256348 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -8117,7 +8157,7 @@ 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: 0.2561533451080322 +elapsed time for k point: 0.4566988945007324 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> @@ -8129,13 +8169,13 @@ 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: 2.058600664138794 +total elapsed time for run: 4.394542694091797 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/meepzSgSEm/test_compute_field_energy-0: 2.07s +./tmp/meepQTEdbH/test_compute_field_energy-0: 4.45s -/tmp/meepzSgSEm/test_compute_group_velocity-0 +/tmp/meepQTEdbH/test_compute_group_velocity-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -8178,7 +8218,7 @@ 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: 0.001371622085571289 +elapsed time for initialization: 0.0013756752014160156 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... @@ -8289,7 +8329,7 @@ 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: 0.1562190055847168 +elapsed time for k point: 0.2841620445251465 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -8540,7 +8580,7 @@ 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: 0.40711188316345215 +elapsed time for k point: 0.637836217880249 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -8597,7 +8637,7 @@ 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: 0.08966970443725586 +elapsed time for k point: 0.1406097412109375 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -8650,7 +8690,7 @@ 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: 0.08222651481628418 +elapsed time for k point: 0.1497480869293213 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -8711,7 +8751,7 @@ 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: 0.09527254104614258 +elapsed time for k point: 0.14058470726013184 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -8804,7 +8844,7 @@ 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: 0.14824748039245605 +elapsed time for k point: 0.1584165096282959 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -8875,7 +8915,7 @@ 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: 0.11205172538757324 +elapsed time for k point: 0.1450941562652588 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -8936,7 +8976,7 @@ 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: 0.09576129913330078 +elapsed time for k point: 0.10927677154541016 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -8989,7 +9029,7 @@ 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: 0.08242225646972656 +elapsed time for k point: 0.0805974006652832 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -9041,7 +9081,7 @@ 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: 0.07870125770568848 +elapsed time for k point: 0.08140707015991211 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -9093,7 +9133,7 @@ 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: 0.079498291015625 +elapsed time for k point: 0.07748675346374512 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -9134,7 +9174,7 @@ 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: 0.06231546401977539 +elapsed time for k point: 0.06345343589782715 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -9181,7 +9221,7 @@ 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: 0.07232260704040527 +elapsed time for k point: 0.07666397094726562 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -9244,7 +9284,7 @@ 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: 0.09894919395446777 +elapsed time for k point: 0.23161888122558594 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -9317,7 +9357,7 @@ 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: 0.11616969108581543 +elapsed time for k point: 0.1669454574584961 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -9512,7 +9552,7 @@ 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: 0.25396132469177246 +.elapsed time for k point: 0.3541724681854248 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> @@ -9524,11 +9564,11 @@ 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: 2.033578872680664 +total elapsed time for run: 2.9007275104522705 done -/tmp/meepzSgSEm/test_compute_group_velocity-0: 2.04s +/tmp/meepQTEdbH/test_compute_group_velocity-0: 2.90s -/tmp/meepzSgSEm/test_compute_integrals-0 +/tmp/meepQTEdbH/test_compute_integrals-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -9571,7 +9611,7 @@ 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: 0.0013761520385742188 +elapsed time for initialization: 0.0014803409576416016 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... @@ -9682,7 +9722,7 @@ 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: 0.1437969207763672 +elapsed time for k point: 0.16431832313537598 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -9933,7 +9973,7 @@ 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: 0.4054088592529297 +elapsed time for k point: 0.6770553588867188 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -9990,7 +10030,7 @@ 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: 0.09001374244689941 +elapsed time for k point: 0.14104318618774414 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10043,7 +10083,7 @@ 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: 0.08249115943908691 +elapsed time for k point: 0.08333492279052734 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10104,7 +10144,7 @@ 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: 0.09597492218017578 +elapsed time for k point: 0.09453701972961426 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10197,7 +10237,7 @@ 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: 0.14948630332946777 +elapsed time for k point: 0.20242643356323242 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -10268,7 +10308,7 @@ 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: 0.11349940299987793 +elapsed time for k point: 0.16713666915893555 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10329,7 +10369,7 @@ 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: 0.09639668464660645 +elapsed time for k point: 0.23053479194641113 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10382,7 +10422,7 @@ 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: 0.08272814750671387 +elapsed time for k point: 0.1593475341796875 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10434,7 +10474,7 @@ 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: 0.07906198501586914 +elapsed time for k point: 0.16377758979797363 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10486,7 +10526,7 @@ 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: 0.07874178886413574 +elapsed time for k point: 0.15855622291564941 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10527,7 +10567,7 @@ 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: 0.062316179275512695 +elapsed time for k point: 0.07250404357910156 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10574,7 +10614,7 @@ 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: 0.07227778434753418 +elapsed time for k point: 0.09149456024169922 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10637,7 +10677,7 @@ 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: 0.09889101982116699 +elapsed time for k point: 0.17621111869812012 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10710,7 +10750,7 @@ 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: 0.11529850959777832 +elapsed time for k point: 0.27662181854248047 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -10905,7 +10945,7 @@ 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: 0.25342535972595215 +elapsed time for k point: 0.9410150051116943 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> @@ -10917,14 +10957,14 @@ 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: 2.0224242210388184 +total elapsed time for run: 3.8026187419891357 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/meepzSgSEm/test_compute_integrals-0: 2.03s +./tmp/meepQTEdbH/test_compute_integrals-0: 3.81s -/tmp/meepzSgSEm/test_diamond-0 +/tmp/meepQTEdbH/test_diamond-0 ======================== Initializing eigensolver data Computing 5 bands with 1e-12 tolerance @@ -10984,7 +11024,7 @@ 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: 0.02126932144165039 +elapsed time for initialization: 0.05061745643615723 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... @@ -11101,7 +11141,7 @@ 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: 0.39960789680480957 +elapsed time for k point: 1.4573523998260498 solve_kpoint (0,0.525,0.475): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -11175,7 +11215,7 @@ 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: 0.2546687126159668 +elapsed time for k point: 0.9491555690765381 solve_kpoint (0,0.55,0.45): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -11240,7 +11280,7 @@ 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: 0.22513651847839355 +elapsed time for k point: 0.3293416500091553 solve_kpoint (0,0.575,0.425): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -11303,7 +11343,7 @@ 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: 0.2158200740814209 +elapsed time for k point: 0.34406518936157227 solve_kpoint (0,0.6,0.4): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -11364,7 +11404,7 @@ 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: 0.20916223526000977 +elapsed time for k point: 0.45241427421569824 solve_kpoint (0,0.625,0.375): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -11463,26 +11503,26 @@ 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: 0.33698296546936035 +elapsed time for k point: 0.903235912322998 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/meepzSgSEm/test_diamond-0-dpwr.k06.b01.h5... +Outputting /tmp/meepQTEdbH/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/meepzSgSEm/test_diamond-0-dpwr.k06.b02.h5... +Outputting /tmp/meepQTEdbH/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/meepzSgSEm/test_diamond-0-dpwr.k06.b03.h5... +Outputting /tmp/meepQTEdbH/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/meepzSgSEm/test_diamond-0-dpwr.k06.b04.h5... +Outputting /tmp/meepQTEdbH/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/meepzSgSEm/test_diamond-0-dpwr.k06.b05.h5... +Outputting /tmp/meepQTEdbH/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... @@ -11577,7 +11617,7 @@ 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: 0.33272838592529297 +elapsed time for k point: 0.4522831439971924 solve_kpoint (0,0.575,0.225): Solving for bands 1 to 5... linmin: converged after 4 iterations. @@ -11786,7 +11826,7 @@ 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: 0.7163801193237305 +elapsed time for k point: 1.3858730792999268 solve_kpoint (0,0.55,0.15): Solving for bands 1 to 5... linmin: converged after 4 iterations. @@ -11847,7 +11887,7 @@ 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: 0.2090609073638916 +elapsed time for k point: 0.6744222640991211 solve_kpoint (0,0.525,0.075): Solving for bands 1 to 5... linmin: converged after 4 iterations. @@ -11906,7 +11946,7 @@ 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: 0.2011091709136963 +elapsed time for k point: 0.2604236602783203 solve_kpoint (0,0.5,0): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -11961,7 +12001,7 @@ 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: 0.18645143508911133 +elapsed time for k point: 0.21313023567199707 solve_kpoint (0,0.4,0): Solving for bands 1 to 5... linmin: converged after 6 iterations. @@ -12012,7 +12052,7 @@ 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: 0.17296481132507324 +elapsed time for k point: 0.18609952926635742 solve_kpoint (0,0.3,0): Solving for bands 1 to 5... linmin: converged after 6 iterations. @@ -12065,7 +12105,7 @@ 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: 0.17954039573669434 +elapsed time for k point: 0.1930248737335205 solve_kpoint (0,0.2,0): Solving for bands 1 to 5... linmin: converged after 7 iterations. @@ -12128,7 +12168,7 @@ 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: 0.21723604202270508 +elapsed time for k point: 0.4852900505065918 solve_kpoint (0,0.1,0): Solving for bands 1 to 5... linmin: converged after 9 iterations. @@ -12211,7 +12251,7 @@ 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: 0.2881019115447998 +elapsed time for k point: 0.38547444343566895 solve_kpoint (0,0,0): Solving for bands 3 to 5... linmin: converged after 7 iterations. @@ -12276,7 +12316,7 @@ 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: 0.11438727378845215 +elapsed time for k point: 0.2545456886291504 solve_kpoint (0,0.1,0.1): Solving for bands 1 to 5... linmin: converged after 9 iterations. @@ -12339,7 +12379,7 @@ 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: 0.21581768989562988 +elapsed time for k point: 0.5740139484405518 solve_kpoint (0,0.2,0.2): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -12408,7 +12448,7 @@ 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: 0.2376270294189453 +elapsed time for k point: 0.5786685943603516 solve_kpoint (0,0.3,0.3): Solving for bands 1 to 5... linmin: converged after 4 iterations. @@ -12818,7 +12858,7 @@ 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: 1.4288990497589111 +elapsed time for k point: 2.91353178024292 solve_kpoint (0,0.4,0.4): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -13055,7 +13095,7 @@ 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: 0.8092703819274902 +elapsed time for k point: 2.1696360111236572 solve_kpoint (0,0.5,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -13136,7 +13176,7 @@ 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: 0.27979469299316406 +elapsed time for k point: 0.8863773345947266 solve_kpoint (0.05,0.55,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -13252,7 +13292,7 @@ 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: 0.39713311195373535 +elapsed time for k point: 0.47681570053100586 solve_kpoint (0.1,0.6,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -13341,7 +13381,7 @@ 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: 0.3050813674926758 +elapsed time for k point: 0.457491397857666 solve_kpoint (0.15,0.65,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -13433,7 +13473,7 @@ 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: 0.31780099868774414 +elapsed time for k point: 0.5844016075134277 solve_kpoint (0.2,0.7,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -13525,7 +13565,7 @@ 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: 0.31456613540649414 +elapsed time for k point: 0.3138082027435303 solve_kpoint (0.25,0.75,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -13684,7 +13724,7 @@ 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: 0.6019299030303955 +elapsed time for k point: 0.9151697158813477 solve_kpoint (0.275,0.75,0.475): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -13773,7 +13813,7 @@ 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: 0.3374440670013428 +elapsed time for k point: 0.366671085357666 solve_kpoint (0.3,0.75,0.45): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -13838,7 +13878,7 @@ 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: 0.2658724784851074 +elapsed time for k point: 0.22129440307617188 solve_kpoint (0.325,0.75,0.425): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -13909,7 +13949,7 @@ 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: 0.2695915699005127 +elapsed time for k point: 0.23900413513183594 solve_kpoint (0.35,0.75,0.4): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -13992,7 +14032,7 @@ 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: 0.30591416358947754 +elapsed time for k point: 0.28188490867614746 solve_kpoint (0.375,0.75,0.375): Solving for bands 1 to 5... linmin: converged after 4 iterations. @@ -14108,18 +14148,18 @@ 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: 0.44949960708618164 +Felapsed time for k point: 0.3873474597930908 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: 10.833911895751953 +total elapsed time for run: 20.38005018234253 done -/tmp/meepzSgSEm/test_diamond-0: 10.84s +/tmp/meepQTEdbH/test_diamond-0: 20.39s -/tmp/meepzSgSEm/test_epsilon_input_file-0 +/tmp/meepQTEdbH/test_epsilon_input_file-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -14161,7 +14201,7 @@ 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: 0.0037512779235839844 +elapsed time for initialization: 0.0027740001678466797 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... @@ -14290,7 +14330,7 @@ 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: 0.16900348663330078 +elapsed time for k point: 0.16518378257751465 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -14339,7 +14379,7 @@ 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: 0.07792401313781738 +elapsed time for k point: 0.07406830787658691 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -14382,7 +14422,7 @@ 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: 0.06900858879089355 +elapsed time for k point: 0.06476259231567383 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -14429,7 +14469,7 @@ 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: 0.07701849937438965 +elapsed time for k point: 0.07068943977355957 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -14482,7 +14522,7 @@ 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: 0.09099936485290527 +elapsed time for k point: 0.08041501045227051 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -14553,7 +14593,7 @@ 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: 0.1275348663330078 +elapsed time for k point: 0.10981249809265137 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -14608,7 +14648,7 @@ 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: 0.08987927436828613 +elapsed time for k point: 0.08367633819580078 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -14657,7 +14697,7 @@ 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: 0.07637691497802734 +elapsed time for k point: 0.07418584823608398 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -14696,7 +14736,7 @@ 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: 0.05923104286193848 +elapsed time for k point: 0.057828664779663086 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -14733,7 +14773,7 @@ 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: 0.0566256046295166 +elapsed time for k point: 0.054201364517211914 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -14770,7 +14810,7 @@ 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: 0.05690789222717285 +elapsed time for k point: 0.05414605140686035 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -14807,7 +14847,7 @@ 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: 0.05818581581115723 +elapsed time for k point: 0.054474592208862305 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -14852,7 +14892,7 @@ 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: 0.07559895515441895 +elapsed time for k point: 0.06741094589233398 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -14907,7 +14947,7 @@ 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: 0.09435296058654785 +elapsed time for k point: 0.08373403549194336 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -14966,7 +15006,7 @@ 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: 0.10314536094665527 +elapsed time for k point: 0.09134960174560547 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -15044,7 +15084,7 @@ 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: 0.10499453544616699 +F.elapsed time for k point: 0.0981130599975586 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> @@ -15056,15 +15096,15 @@ 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: 1.3985636234283447 +total elapsed time for run: 1.288057565689087 done -/tmp/meepzSgSEm/test_epsilon_input_file-0: 1.40s +/tmp/meepQTEdbH/test_epsilon_input_file-0: 1.29s -/tmp/meepzSgSEm/test_first_brillouin_zone-0 +/tmp/meepQTEdbH/test_first_brillouin_zone-0 ======================== -/tmp/meepzSgSEm/test_first_brillouin_zone-0: 0.10s +/tmp/meepQTEdbH/test_first_brillouin_zone-0: 0.11s -/tmp/meepzSgSEm/test_fractional_lattice-0 +/tmp/meepQTEdbH/test_fractional_lattice-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -15107,7 +15147,7 @@ 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: 0.0002465248107910156 +elapsed time for initialization: 0.00018739700317382812 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... @@ -15116,7 +15156,7 @@ 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 51.7857%) + switching to approximate line minimization (decrease time by 55.7692%) iteration 3: trace = 83.3461110942816 (0.603338% change) iteration 4: trace = 83.3335997859713 (0.0150124% change) iteration 5: trace = 83.33333949085052 (0.000312354% change) @@ -15126,7 +15166,7 @@ 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: 0.001270294189453125 +elapsed time for k point: 0.0019752979278564453 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 10 iterations. @@ -15135,29 +15175,29 @@ 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: 0.000675201416015625 +elapsed time for k point: 0.0006632804870605469 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 82.66666666666671 (5.67288e-13% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 3, 0.2, 0, 0, 2, 0.57735, 2.3094, 2.94392, 2.94392, 3.4641, 3.69685, 3.69685, 4.50925 -elapsed time for k point: 0.00015926361083984375 +elapsed time for k point: 0.00016045570373535156 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 84.33333333333334 (3.37016e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 4, 0.3, 0, 0, 3, 0.866025, 2.02073, 3.01386, 3.01386, 3.52373, 3.52373, 3.75278, 4.73462 -elapsed time for k point: 0.00015211105346679688 +elapsed time for k point: 0.00015401840209960938 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. - switching to approximate line minimization (decrease time by 55.5556%) + switching to approximate line minimization (decrease time by 56.7164%) 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: 0.00017690658569335938 +elapsed time for k point: 0.00017571449279785156 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. @@ -15169,78 +15209,78 @@ Solving for bands 1 to 8... near maximum in trace linmin: converged after 8 iterations. - switching to approximate line minimization (decrease time by 63.0952%) + switching to approximate line minimization (decrease time by 65.0602%) 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: 0.0003170967102050781 +elapsed time for k point: 0.0003161430358886719 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 91.00000000000001 (7.80816e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 8, 0.5, 0.2, 0, 5.38516, 1.55456, 1.55456, 2.72336, 2.72336, 3.75278, 3.75278, 4.36845, 4.90748 -elapsed time for k point: 0.0001513957977294922 +elapsed time for k point: 0.00015306472778320312 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 92.66666666666667 (1.53355e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 9, 0.5, 0.3, 0, 5.83095, 1.68325, 1.68325, 2.48328, 2.48328, 4.02078, 4.02078, 4.41588, 4.77842 -elapsed time for k point: 0.0001506805419921875 +elapsed time for k point: 0.00014972686767578125 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 46 iterations. iteration 1: trace = 95.66666666666666 (0% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 10, 0.5, 0.4, 0, 6.40312, 1.84842, 1.84842, 2.25462, 2.25462, 4.29146, 4.29146, 4.48144, 4.66369 -elapsed time for k point: 0.0003643035888671875 +elapsed time for k point: 0.0003948211669921875 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. - switching to approximate line minimization (decrease time by 57.3529%) + switching to approximate line minimization (decrease time by 57.1429%) 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: 0.0001735687255859375 +elapsed time for k point: 0.0001766681671142578 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 91.33333333333334 (0% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 12, 0.4, 0.4, 0, 5.65685, 1.63299, 2.08167, 2.08167, 2.44949, 4.20317, 4.20317, 4.39697, 4.39697 -elapsed time for k point: 0.0001595020294189453 +elapsed time for k point: 0.0001583099365234375 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 46 iterations. iteration 1: trace = 85.33333333333334 (0% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 13, 0.3, 0.3, 0, 4.24264, 1.22474, 2.19848, 2.19848, 2.85774, 3.85141, 3.85141, 4.26224, 4.26224 -elapsed time for k point: 0.0003707408905029297 +elapsed time for k point: 0.0003647804260253906 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 82 (0% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 14, 0.2, 0.2, 0, 2.82843, 0.816497, 2.38048, 2.38048, 3.26599, 3.51188, 3.51188, 4.16333, 4.16333 -elapsed time for k point: 0.0001678466796875 +elapsed time for k point: 0.000148773193359375 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 40 iterations. iteration 1: trace = 81.33333333333334 (1.74724e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 15, 0.1, 0.1, 0, 1.41421, 0.408248, 2.61406, 2.61406, 3.18852, 3.18852, 3.67423, 4.10284, 4.10284 -elapsed time for k point: 0.00034117698669433594 +elapsed time for k point: 0.0003600120544433594 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 33 iterations. iteration 1: trace = 83.33333333333334 (0% change) Finished solving for bands 2 to 8 after 1 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 2.88675, 2.88675, 2.88675, 2.88675, 4.08248, 4.08248, 4.08248 -.elapsed time for k point: 0.0002880096435546875 +.elapsed time for k point: 0.00026106834411621094 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 2.041241452319313 at Vector3<0.5, 0.5, 0.0> Band 2 range: 1.443375672974069 at Vector3<0.5, 0.0, 0.0> to 2.886751345948136 at Vector3<0.0, 0.0, 0.0> Band 3 range: 2.041241452319315 at Vector3<0.5, 0.5, 0.0> to 3.227486121839512 at Vector3<0.5, 0.0, 0.0> @@ -15249,11 +15289,11 @@ 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: 0.005746603012084961 +total elapsed time for run: 0.006317853927612305 done -/tmp/meepzSgSEm/test_fractional_lattice-0: 0.01s +/tmp/meepQTEdbH/test_fractional_lattice-0: 0.01s -/tmp/meepzSgSEm/test_get_bfield-0 +/tmp/meepQTEdbH/test_get_bfield-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -15296,7 +15336,7 @@ 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: 0.0016031265258789062 +elapsed time for initialization: 0.0014495849609375 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... @@ -15407,7 +15447,7 @@ 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: 0.14864468574523926 +elapsed time for k point: 0.2031102180480957 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -15658,7 +15698,7 @@ 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: 0.4350926876068115 +elapsed time for k point: 0.47466397285461426 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -15715,7 +15755,7 @@ 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: 0.09295845031738281 +elapsed time for k point: 0.1015326976776123 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -15768,7 +15808,7 @@ 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: 0.0911407470703125 +elapsed time for k point: 0.08450102806091309 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -15829,7 +15869,7 @@ 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: 0.10507988929748535 +elapsed time for k point: 0.11881470680236816 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -15922,7 +15962,7 @@ 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: 0.15319514274597168 +elapsed time for k point: 0.14906907081604004 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -15993,7 +16033,7 @@ 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: 0.11317992210388184 +elapsed time for k point: 0.11905694007873535 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -16054,7 +16094,7 @@ 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: 0.09702515602111816 +elapsed time for k point: 0.09641361236572266 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -16107,7 +16147,7 @@ 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: 0.0855405330657959 +elapsed time for k point: 0.09802937507629395 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -16159,7 +16199,7 @@ 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: 0.08183073997497559 +elapsed time for k point: 0.16070270538330078 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -16211,7 +16251,7 @@ 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: 0.08335638046264648 +elapsed time for k point: 0.16087603569030762 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -16252,7 +16292,7 @@ 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: 0.06586694717407227 +elapsed time for k point: 0.10769152641296387 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -16299,7 +16339,7 @@ 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: 0.0759730339050293 +elapsed time for k point: 0.0794835090637207 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -16362,7 +16402,7 @@ 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: 0.10407042503356934 +elapsed time for k point: 0.1536388397216797 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -16435,7 +16475,7 @@ 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: 0.1187434196472168 +elapsed time for k point: 0.22069478034973145 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -16630,7 +16670,7 @@ 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: 0.25871968269348145 +elapsed time for k point: 0.28882884979248047 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> @@ -16642,12 +16682,12 @@ 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: 2.1134846210479736 +total elapsed time for run: 2.6197407245635986 done Fixing b-field (band 8) phase by -1 + 2.58922e-07i; max ampl. = 4.48388 -./tmp/meepzSgSEm/test_get_bfield-0: 2.12s +./tmp/meepQTEdbH/test_get_bfield-0: 2.62s -/tmp/meepzSgSEm/test_get_dfield-0 +/tmp/meepQTEdbH/test_get_dfield-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -16690,7 +16730,7 @@ 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: 0.0014476776123046875 +elapsed time for initialization: 0.0017499923706054688 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... @@ -16801,7 +16841,7 @@ 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: 0.1549062728881836 +elapsed time for k point: 0.1622295379638672 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -17052,7 +17092,7 @@ 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: 0.42704057693481445 +elapsed time for k point: 0.43364405632019043 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17109,7 +17149,7 @@ 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: 0.09297919273376465 +elapsed time for k point: 0.10487222671508789 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17162,7 +17202,7 @@ 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: 0.08623600006103516 +elapsed time for k point: 0.087432861328125 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17223,7 +17263,7 @@ 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: 0.10255074501037598 +elapsed time for k point: 0.09676742553710938 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17316,7 +17356,7 @@ 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: 0.15350961685180664 +elapsed time for k point: 0.15681052207946777 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -17387,7 +17427,7 @@ 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: 0.11586260795593262 +elapsed time for k point: 0.12533783912658691 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17448,7 +17488,7 @@ 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: 0.09929513931274414 +elapsed time for k point: 0.1065983772277832 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17501,7 +17541,7 @@ 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: 0.08441281318664551 +elapsed time for k point: 0.08611202239990234 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17553,7 +17593,7 @@ 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: 0.07999300956726074 +elapsed time for k point: 0.0918889045715332 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17605,7 +17645,7 @@ 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: 0.08282899856567383 +elapsed time for k point: 0.08546257019042969 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17646,7 +17686,7 @@ 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: 0.06441187858581543 +elapsed time for k point: 0.06863260269165039 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17693,7 +17733,7 @@ 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: 0.07668495178222656 +elapsed time for k point: 0.07682991027832031 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17756,7 +17796,7 @@ 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: 0.10832428932189941 +elapsed time for k point: 0.1146233081817627 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17829,7 +17869,7 @@ 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: 0.12199068069458008 +elapsed time for k point: 0.14646530151367188 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -18024,7 +18064,7 @@ 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: 0.2639923095703125 +elapsed time for k point: 0.3217802047729492 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> @@ -18036,12 +18076,12 @@ 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: 2.118072271347046 +total elapsed time for run: 2.2684502601623535 done Fixing d-field (band 8) phase by 2.58922e-07 + 1i; max ampl. = 8.66842 -./tmp/meepzSgSEm/test_get_dfield-0: 2.12s +./tmp/meepQTEdbH/test_get_dfield-0: 2.27s -/tmp/meepzSgSEm/test_get_efield-0 +/tmp/meepQTEdbH/test_get_efield-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -18084,7 +18124,7 @@ 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: 0.0014159679412841797 +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... @@ -18195,7 +18235,7 @@ 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: 0.14818978309631348 +elapsed time for k point: 0.28763890266418457 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -18446,7 +18486,7 @@ 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: 0.43866944313049316 +elapsed time for k point: 0.48856234550476074 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -18503,7 +18543,7 @@ 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: 0.09011673927307129 +elapsed time for k point: 0.09018230438232422 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -18556,7 +18596,7 @@ 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: 0.08313703536987305 +elapsed time for k point: 0.0831758975982666 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -18617,7 +18657,7 @@ 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: 0.09797906875610352 +elapsed time for k point: 0.0949709415435791 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -18710,7 +18750,7 @@ 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: 0.1566171646118164 +elapsed time for k point: 0.1470651626586914 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -18781,7 +18821,7 @@ 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: 0.12161040306091309 +elapsed time for k point: 0.11156511306762695 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -18842,7 +18882,7 @@ 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: 0.1033623218536377 +elapsed time for k point: 0.09436702728271484 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -18895,7 +18935,7 @@ 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: 0.08746480941772461 +elapsed time for k point: 0.0814352035522461 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -18947,7 +18987,7 @@ 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: 0.08145451545715332 +elapsed time for k point: 0.07770633697509766 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -18999,7 +19039,7 @@ 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: 0.07996344566345215 +elapsed time for k point: 0.07786226272583008 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -19040,7 +19080,7 @@ 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: 0.06398463249206543 +elapsed time for k point: 0.06184124946594238 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -19087,7 +19127,7 @@ 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: 0.0755157470703125 +elapsed time for k point: 0.0715327262878418 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -19150,7 +19190,7 @@ 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: 0.10468077659606934 +elapsed time for k point: 0.09776544570922852 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -19223,7 +19263,7 @@ 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: 0.1207740306854248 +elapsed time for k point: 0.1151587963104248 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -19418,7 +19458,7 @@ 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: 0.25972723960876465 +elapsed time for k point: 0.25782227516174316 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> @@ -19430,12 +19470,12 @@ 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: 2.1160519123077393 +total elapsed time for run: 2.2412102222442627 done Fixing e-field (band 8) phase by 2.58922e-07 + 1i; max ampl. = 1.10099 -./tmp/meepzSgSEm/test_get_efield-0: 2.13s +./tmp/meepQTEdbH/test_get_efield-0: 2.24s -/tmp/meepzSgSEm/test_get_eigenvectors-0 +/tmp/meepQTEdbH/test_get_eigenvectors-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -19478,7 +19518,7 @@ 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: 0.0014209747314453125 +elapsed time for initialization: 0.001348733901977539 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... @@ -19589,7 +19629,7 @@ 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: 0.15880966186523438 +elapsed time for k point: 0.14539170265197754 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 @@ -19848,7 +19888,7 @@ 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: 0.42455267906188965 +elapsed time for k point: 0.4035658836364746 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 @@ -19913,7 +19953,7 @@ 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: 0.09319615364074707 +elapsed time for k point: 0.08827829360961914 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 @@ -19974,7 +20014,7 @@ 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: 0.08839249610900879 +elapsed time for k point: 0.08162951469421387 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 @@ -20043,7 +20083,7 @@ 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: 0.09797000885009766 +elapsed time for k point: 0.09469032287597656 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 @@ -20144,7 +20184,7 @@ 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: 0.15225672721862793 +elapsed time for k point: 0.1483154296875 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 @@ -20223,7 +20263,7 @@ 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: 0.11465001106262207 +elapsed time for k point: 0.11176705360412598 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 @@ -20292,7 +20332,7 @@ 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: 0.09665298461914062 +elapsed time for k point: 0.0945427417755127 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 @@ -20353,7 +20393,7 @@ 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: 0.08254575729370117 +elapsed time for k point: 0.08961200714111328 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 @@ -20413,7 +20453,7 @@ 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: 0.07990741729736328 +elapsed time for k point: 0.15749573707580566 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 @@ -20473,7 +20513,7 @@ 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: 0.08021354675292969 +elapsed time for k point: 0.11129021644592285 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 @@ -20522,7 +20562,7 @@ 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: 0.06306171417236328 +elapsed time for k point: 0.07223129272460938 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 @@ -20577,7 +20617,7 @@ 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: 0.072052001953125 +elapsed time for k point: 0.09190487861633301 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 @@ -20648,7 +20688,7 @@ 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: 0.09779548645019531 +elapsed time for k point: 0.12449240684509277 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 @@ -20729,7 +20769,7 @@ 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: 0.1167306900024414 +elapsed time for k point: 0.11718153953552246 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 @@ -20932,7 +20972,7 @@ 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: 0.25762510299682617 +elapsed time for k point: 0.25726842880249023 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 @@ -20952,11 +20992,11 @@ 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: 2.0926034450531006 +total elapsed time for run: 2.205084800720215 done -/tmp/meepzSgSEm/test_get_eigenvectors-0: 2.11s +/tmp/meepQTEdbH/test_get_eigenvectors-0: 2.22s -/tmp/meepzSgSEm/test_get_hfield-0 +/tmp/meepQTEdbH/test_get_hfield-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -20999,7 +21039,7 @@ 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: 0.0014681816101074219 +elapsed time for initialization: 0.001483917236328125 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... @@ -21110,7 +21150,7 @@ 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: 0.15002822875976562 +elapsed time for k point: 0.14368557929992676 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -21361,7 +21401,7 @@ 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: 0.4062199592590332 +elapsed time for k point: 0.3975808620452881 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21418,7 +21458,7 @@ 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: 0.08948373794555664 +elapsed time for k point: 0.08761906623840332 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21471,7 +21511,7 @@ 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: 0.08243560791015625 +elapsed time for k point: 0.08045768737792969 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21532,7 +21572,7 @@ 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: 0.09523320198059082 +elapsed time for k point: 0.0935356616973877 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21625,7 +21665,7 @@ 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: 0.14854812622070312 +elapsed time for k point: 0.1454753875732422 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -21696,7 +21736,7 @@ 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: 0.11375570297241211 +elapsed time for k point: 0.1105341911315918 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21757,7 +21797,7 @@ 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: 0.09565138816833496 +elapsed time for k point: 0.09339380264282227 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21810,7 +21850,7 @@ 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: 0.08238863945007324 +elapsed time for k point: 0.0808568000793457 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21862,7 +21902,7 @@ 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: 0.07824063301086426 +elapsed time for k point: 0.07737135887145996 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21914,7 +21954,7 @@ 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: 0.0785207748413086 +elapsed time for k point: 0.07701325416564941 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21955,7 +21995,7 @@ 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: 0.06252527236938477 +elapsed time for k point: 0.06078600883483887 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -22002,7 +22042,7 @@ 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: 0.07231879234313965 +elapsed time for k point: 0.0707855224609375 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -22065,7 +22105,7 @@ 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: 0.09856772422790527 +elapsed time for k point: 0.09717178344726562 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -22138,7 +22178,7 @@ 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: 0.11520028114318848 +elapsed time for k point: 0.11295962333679199 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -22333,7 +22373,7 @@ 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: 0.2544252872467041 +elapsed time for k point: 0.2529175281524658 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> @@ -22345,12 +22385,12 @@ 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: 2.0262372493743896 +total elapsed time for run: 1.9848048686981201 done Fixing h-field (band 8) phase by -1 + 2.58922e-07i; max ampl. = 4.48388 -./tmp/meepzSgSEm/test_get_hfield-0: 2.03s +./tmp/meepQTEdbH/test_get_hfield-0: 1.99s -/tmp/meepzSgSEm/test_handle_cvector-0 +/tmp/meepQTEdbH/test_handle_cvector-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -22393,7 +22433,7 @@ 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: 0.0014939308166503906 +elapsed time for initialization: 0.0014567375183105469 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... @@ -22448,7 +22488,7 @@ 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: 0.0717458724975586 +elapsed time for k point: 0.06684422492980957 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -22489,7 +22529,7 @@ 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: 0.06220698356628418 +elapsed time for k point: 0.0606989860534668 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22524,7 +22564,7 @@ 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: 0.05203557014465332 +elapsed time for k point: 0.05095958709716797 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22557,7 +22597,7 @@ 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: 0.04872560501098633 +elapsed time for k point: 0.04803299903869629 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22588,7 +22628,7 @@ 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: 0.04517030715942383 +elapsed time for k point: 0.04477381706237793 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22619,7 +22659,7 @@ 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: 0.045096635818481445 +elapsed time for k point: 0.044873952865600586 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22648,7 +22688,7 @@ 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: 0.041838884353637695 +elapsed time for k point: 0.0412747859954834 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22677,7 +22717,7 @@ 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: 0.042017459869384766 +elapsed time for k point: 0.041388750076293945 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22702,7 +22742,7 @@ 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: 0.035538673400878906 +elapsed time for k point: 0.03479933738708496 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22727,7 +22767,7 @@ 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: 0.03561067581176758 +elapsed time for k point: 0.03517007827758789 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -22750,7 +22790,7 @@ 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: 0.03205418586730957 +elapsed time for k point: 0.03141069412231445 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 @@ -22785,7 +22825,7 @@ 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: 0.03879880905151367 +elapsed time for k point: 0.03793835639953613 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22814,7 +22854,7 @@ 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: 0.04215049743652344 +elapsed time for k point: 0.041230201721191406 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -22845,7 +22885,7 @@ 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: 0.04574847221374512 +elapsed time for k point: 0.04482150077819824 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22884,7 +22924,7 @@ 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: 0.05827617645263672 +elapsed time for k point: 0.057476043701171875 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. @@ -22921,7 +22961,7 @@ 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: 0.04539012908935547 +elapsed time for k point: 0.04500842094421387 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> @@ -22935,7 +22975,7 @@ 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: 0.7470898628234863 +total elapsed time for run: 0.7312967777252197 done Read lattice vectors Read Bloch wavevector (-0.333333, 0.333333, 0) @@ -22953,9 +22993,9 @@ imag part range: 0 .. 0 real part range: -1.03932 .. 1.03493 imag part range: -1.08496 .. 1.08496 -./tmp/meepzSgSEm/test_handle_cvector-0: 0.78s +./tmp/meepQTEdbH/test_handle_cvector-0: 0.76s -/tmp/meepzSgSEm/test_hermitian_eps-0 +/tmp/meepQTEdbH/test_hermitian_eps-0 ======================== Initializing eigensolver data Computing 10 bands with 1e-12 tolerance @@ -22993,7 +23033,7 @@ 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: 0.0017843246459960938 +elapsed time for initialization: 0.0017821788787841797 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... @@ -27559,7 +27599,7 @@ 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: 14.938008546829224 +elapsed time for k point: 15.261111497879028 solve_kpoint (0.166667,0,0): Solving for bands 1 to 10... linmin: converged after 5 iterations. @@ -30804,7 +30844,7 @@ 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: 12.37598967552185 +elapsed time for k point: 14.74646258354187 solve_kpoint (0.333333,0,0): Solving for bands 1 to 10... linmin: converged after 4 iterations. @@ -34001,7 +34041,7 @@ 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: 12.334850311279297 +elapsed time for k point: 12.202690601348877 solve_kpoint (0.5,0,0): Solving for bands 1 to 10... linmin: converged after 4 iterations. @@ -36813,7 +36853,7 @@ 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: 10.939650774002075 +elapsed time for k point: 10.924144268035889 solve_kpoint (0.5,0.166667,0): Solving for bands 1 to 10... linmin: converged after 4 iterations. @@ -39123,7 +39163,7 @@ 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: 8.773988962173462 +elapsed time for k point: 11.451114892959595 solve_kpoint (0.5,0.333333,0): Solving for bands 1 to 10... linmin: converged after 6 iterations. @@ -40675,7 +40715,7 @@ 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: 6.092095136642456 +elapsed time for k point: 12.112074136734009 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 10... linmin: converged after 5 iterations. @@ -41780,7 +41820,7 @@ 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: 4.154541730880737 +elapsed time for k point: 4.207399129867554 solve_kpoint (0.333333,0.333333,0): Solving for bands 1 to 10... linmin: converged after 5 iterations. @@ -43210,7 +43250,7 @@ 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: 5.411748647689819 +elapsed time for k point: 5.4233458042144775 solve_kpoint (0.166667,0.166667,0): Solving for bands 1 to 10... linmin: converged after 5 iterations. @@ -45171,7 +45211,7 @@ 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: 7.492058038711548 +elapsed time for k point: 7.5685341358184814 solve_kpoint (0,0,0): Solving for bands 2 to 10... linmin: converged after 4 iterations. @@ -46617,7 +46657,7 @@ 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: 4.727320671081543 +.elapsed time for k point: 4.708631992340088 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> @@ -46633,11 +46673,11 @@ 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: 87.24290180206299 +total elapsed time for run: 98.60813879966736 done -/tmp/meepzSgSEm/test_hermitian_eps-0: 87.24s +/tmp/meepQTEdbH/test_hermitian_eps-0: 98.61s -/tmp/meepzSgSEm/test_hole_slab-0 +/tmp/meepQTEdbH/test_hole_slab-0 ======================== Initializing eigensolver data Computing 9 bands with 1e-12 tolerance @@ -46671,7 +46711,7 @@ Initializing fields to random numbers... 1 k-points Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> -elapsed time for initialization: 0.11384034156799316 +elapsed time for initialization: 0.11196470260620117 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... @@ -46740,17 +46780,17 @@ 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: 17.942898988723755 -total elapsed time for run: 18.05682682991028 +elapsed time for k point: 17.87232995033264 +total elapsed time for run: 17.98438811302185 done Fixing h-field (band 9) phase by 0.0246538 + 0.999696i; max ampl. = 2.37913 -FOutputting fields to /tmp/meepzSgSEm/test_hole_slab-0-h.k01.b09.z.zeven.h5... +FOutputting fields to /tmp/meepQTEdbH/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 = 0.5824782848358154 s -/tmp/meepzSgSEm/test_hole_slab-0: 18.08s +mean time per iteration = 0.5801415520329629 s +/tmp/meepQTEdbH/test_hole_slab-0: 18.01s -/tmp/meepzSgSEm/test_honey_rods-0 +/tmp/meepQTEdbH/test_honey_rods-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -46795,7 +46835,7 @@ 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: 0.0015552043914794922 +elapsed time for initialization: 0.0014939308166503906 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... @@ -46881,7 +46921,7 @@ 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: 0.10460662841796875 +elapsed time for k point: 0.10614395141601562 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -46955,7 +46995,7 @@ 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: 0.11405086517333984 +elapsed time for k point: 0.11492562294006348 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -46994,7 +47034,7 @@ 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: 0.05899453163146973 +elapsed time for k point: 0.058710336685180664 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -47031,7 +47071,7 @@ 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: 0.054285526275634766 +elapsed time for k point: 0.05489945411682129 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -47066,7 +47106,7 @@ 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: 0.051317691802978516 +elapsed time for k point: 0.051666975021362305 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -47097,7 +47137,7 @@ 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: 0.04481792449951172 +elapsed time for k point: 0.04512429237365723 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -47126,7 +47166,7 @@ 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: 0.04185986518859863 +elapsed time for k point: 0.04193401336669922 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -47159,7 +47199,7 @@ 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: 0.04882001876831055 +elapsed time for k point: 0.04831385612487793 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -47192,7 +47232,7 @@ 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: 0.0483400821685791 +elapsed time for k point: 0.048366546630859375 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -47229,7 +47269,7 @@ 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: 0.05503582954406738 +elapsed time for k point: 0.054915666580200195 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -47294,7 +47334,7 @@ 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: 0.09333062171936035 +elapsed time for k point: 0.09500575065612793 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -47329,7 +47369,7 @@ 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: 0.05108237266540527 +elapsed time for k point: 0.05184507369995117 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -47360,7 +47400,7 @@ 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: 0.04449939727783203 +elapsed time for k point: 0.04518842697143555 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -47391,7 +47431,7 @@ 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: 0.04481101036071777 +elapsed time for k point: 0.045432090759277344 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -47428,7 +47468,7 @@ 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: 0.054920196533203125 +elapsed time for k point: 0.05544853210449219 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -47629,7 +47669,7 @@ 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: 0.25234365463256836 +elapsed time for k point: 0.25725412368774414 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> @@ -47642,7 +47682,7 @@ 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: 1.1658389568328857 +total elapsed time for run: 1.1778662204742432 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -47686,7 +47726,7 @@ 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: 0.0014829635620117188 +elapsed time for initialization: 0.0014889240264892578 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... @@ -47888,7 +47928,7 @@ 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: 0.24555253982543945 +elapsed time for k point: 0.25177001953125 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -47993,7 +48033,7 @@ 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: 0.1666874885559082 +elapsed time for k point: 0.16787409782409668 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 8 iterations. @@ -48050,7 +48090,7 @@ 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: 0.08661317825317383 +elapsed time for k point: 0.08862686157226562 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -48107,7 +48147,7 @@ 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: 0.0876619815826416 +elapsed time for k point: 0.08798885345458984 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -48174,7 +48214,7 @@ 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: 0.1033334732055664 +elapsed time for k point: 0.10510587692260742 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -48257,7 +48297,7 @@ 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: 0.12909412384033203 +elapsed time for k point: 0.13138628005981445 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -48322,7 +48362,7 @@ 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: 0.10016226768493652 +elapsed time for k point: 0.10163998603820801 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -48393,7 +48433,7 @@ 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: 0.11012864112854004 +elapsed time for k point: 0.11271381378173828 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -48466,7 +48506,7 @@ 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: 0.11330127716064453 +elapsed time for k point: 0.114044189453125 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -48541,7 +48581,7 @@ 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: 0.11617207527160645 +elapsed time for k point: 0.11815857887268066 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -48698,7 +48738,7 @@ 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: 0.23675990104675293 +elapsed time for k point: 0.2387990951538086 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -48909,7 +48949,7 @@ 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: 0.3309638500213623 +elapsed time for k point: 0.33358263969421387 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -48964,7 +49004,7 @@ 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: 0.08352541923522949 +elapsed time for k point: 0.0844581127166748 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -49017,7 +49057,7 @@ 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: 0.08031582832336426 +elapsed time for k point: 0.08147931098937988 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -49074,7 +49114,7 @@ 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: 0.08683037757873535 +elapsed time for k point: 0.08792829513549805 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. @@ -49223,7 +49263,7 @@ 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: 0.1806504726409912 +.elapsed time for k point: 0.18510746955871582 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> @@ -49235,11 +49275,11 @@ 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: 2.2603654861450195 +total elapsed time for run: 2.2933361530303955 done -/tmp/meepzSgSEm/test_honey_rods-0: 3.43s +/tmp/meepQTEdbH/test_honey_rods-0: 3.47s -/tmp/meepzSgSEm/test_line_defect-0 +/tmp/meepQTEdbH/test_line_defect-0 ======================== Initializing eigensolver data Computing 12 bands with 1e-12 tolerance @@ -49286,7 +49326,7 @@ 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: 0.012325286865234375 +elapsed time for initialization: 0.012146711349487305 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... @@ -49483,7 +49523,7 @@ 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: 1.9252374172210693 +elapsed time for k point: 2.012502431869507 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 @@ -49496,18 +49536,18 @@ 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/meepzSgSEm/test_line_defect-0-e.k01.b01.z.tm.h5... -Outputting fields to /tmp/meepzSgSEm/test_line_defect-0-e.k01.b02.z.tm.h5... -Outputting fields to /tmp/meepzSgSEm/test_line_defect-0-e.k01.b03.z.tm.h5... -Outputting fields to /tmp/meepzSgSEm/test_line_defect-0-e.k01.b04.z.tm.h5... -Outputting fields to /tmp/meepzSgSEm/test_line_defect-0-e.k01.b05.z.tm.h5... -Outputting fields to /tmp/meepzSgSEm/test_line_defect-0-e.k01.b06.z.tm.h5... -Outputting fields to /tmp/meepzSgSEm/test_line_defect-0-e.k01.b07.z.tm.h5... -Outputting fields to /tmp/meepzSgSEm/test_line_defect-0-e.k01.b08.z.tm.h5... -Outputting fields to /tmp/meepzSgSEm/test_line_defect-0-e.k01.b09.z.tm.h5... -Outputting fields to /tmp/meepzSgSEm/test_line_defect-0-e.k01.b10.z.tm.h5... -Outputting fields to /tmp/meepzSgSEm/test_line_defect-0-e.k01.b11.z.tm.h5... -Outputting fields to /tmp/meepzSgSEm/test_line_defect-0-e.k01.b12.z.tm.h5... +Outputting fields to /tmp/meepQTEdbH/test_line_defect-0-e.k01.b01.z.tm.h5... +Outputting fields to /tmp/meepQTEdbH/test_line_defect-0-e.k01.b02.z.tm.h5... +Outputting fields to /tmp/meepQTEdbH/test_line_defect-0-e.k01.b03.z.tm.h5... +Outputting fields to /tmp/meepQTEdbH/test_line_defect-0-e.k01.b04.z.tm.h5... +Outputting fields to /tmp/meepQTEdbH/test_line_defect-0-e.k01.b05.z.tm.h5... +Outputting fields to /tmp/meepQTEdbH/test_line_defect-0-e.k01.b06.z.tm.h5... +Outputting fields to /tmp/meepQTEdbH/test_line_defect-0-e.k01.b07.z.tm.h5... +Outputting fields to /tmp/meepQTEdbH/test_line_defect-0-e.k01.b08.z.tm.h5... +Outputting fields to /tmp/meepQTEdbH/test_line_defect-0-e.k01.b09.z.tm.h5... +Outputting fields to /tmp/meepQTEdbH/test_line_defect-0-e.k01.b10.z.tm.h5... +Outputting fields to /tmp/meepQTEdbH/test_line_defect-0-e.k01.b11.z.tm.h5... +Outputting fields to /tmp/meepQTEdbH/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. @@ -49605,7 +49645,7 @@ 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: 1.3236687183380127 +elapsed time for k point: 1.4112706184387207 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 @@ -49618,18 +49658,18 @@ 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/meepzSgSEm/test_line_defect-0-e.k02.b01.z.tm.h5... -Outputting fields to /tmp/meepzSgSEm/test_line_defect-0-e.k02.b02.z.tm.h5... -Outputting fields to /tmp/meepzSgSEm/test_line_defect-0-e.k02.b03.z.tm.h5... -Outputting fields to /tmp/meepzSgSEm/test_line_defect-0-e.k02.b04.z.tm.h5... -Outputting fields to /tmp/meepzSgSEm/test_line_defect-0-e.k02.b05.z.tm.h5... -Outputting fields to /tmp/meepzSgSEm/test_line_defect-0-e.k02.b06.z.tm.h5... -Outputting fields to /tmp/meepzSgSEm/test_line_defect-0-e.k02.b07.z.tm.h5... -Outputting fields to /tmp/meepzSgSEm/test_line_defect-0-e.k02.b08.z.tm.h5... -Outputting fields to /tmp/meepzSgSEm/test_line_defect-0-e.k02.b09.z.tm.h5... -Outputting fields to /tmp/meepzSgSEm/test_line_defect-0-e.k02.b10.z.tm.h5... -Outputting fields to /tmp/meepzSgSEm/test_line_defect-0-e.k02.b11.z.tm.h5... -Outputting fields to /tmp/meepzSgSEm/test_line_defect-0-e.k02.b12.z.tm.h5... +Outputting fields to /tmp/meepQTEdbH/test_line_defect-0-e.k02.b01.z.tm.h5... +Outputting fields to /tmp/meepQTEdbH/test_line_defect-0-e.k02.b02.z.tm.h5... +Outputting fields to /tmp/meepQTEdbH/test_line_defect-0-e.k02.b03.z.tm.h5... +Outputting fields to /tmp/meepQTEdbH/test_line_defect-0-e.k02.b04.z.tm.h5... +Outputting fields to /tmp/meepQTEdbH/test_line_defect-0-e.k02.b05.z.tm.h5... +Outputting fields to /tmp/meepQTEdbH/test_line_defect-0-e.k02.b06.z.tm.h5... +Outputting fields to /tmp/meepQTEdbH/test_line_defect-0-e.k02.b07.z.tm.h5... +Outputting fields to /tmp/meepQTEdbH/test_line_defect-0-e.k02.b08.z.tm.h5... +Outputting fields to /tmp/meepQTEdbH/test_line_defect-0-e.k02.b09.z.tm.h5... +Outputting fields to /tmp/meepQTEdbH/test_line_defect-0-e.k02.b10.z.tm.h5... +Outputting fields to /tmp/meepQTEdbH/test_line_defect-0-e.k02.b11.z.tm.h5... +Outputting fields to /tmp/meepQTEdbH/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. @@ -49719,7 +49759,7 @@ 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: 1.2278451919555664 +elapsed time for k point: 1.243128776550293 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 @@ -49732,18 +49772,18 @@ 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/meepzSgSEm/test_line_defect-0-e.k03.b01.z.tm.h5... -Outputting fields to /tmp/meepzSgSEm/test_line_defect-0-e.k03.b02.z.tm.h5... -Outputting fields to /tmp/meepzSgSEm/test_line_defect-0-e.k03.b03.z.tm.h5... -Outputting fields to /tmp/meepzSgSEm/test_line_defect-0-e.k03.b04.z.tm.h5... -Outputting fields to /tmp/meepzSgSEm/test_line_defect-0-e.k03.b05.z.tm.h5... -Outputting fields to /tmp/meepzSgSEm/test_line_defect-0-e.k03.b06.z.tm.h5... -Outputting fields to /tmp/meepzSgSEm/test_line_defect-0-e.k03.b07.z.tm.h5... -Outputting fields to /tmp/meepzSgSEm/test_line_defect-0-e.k03.b08.z.tm.h5... -Outputting fields to /tmp/meepzSgSEm/test_line_defect-0-e.k03.b09.z.tm.h5... -Outputting fields to /tmp/meepzSgSEm/test_line_defect-0-e.k03.b10.z.tm.h5... -Outputting fields to /tmp/meepzSgSEm/test_line_defect-0-e.k03.b11.z.tm.h5... -Outputting fields to /tmp/meepzSgSEm/test_line_defect-0-e.k03.b12.z.tm.h5... +Outputting fields to /tmp/meepQTEdbH/test_line_defect-0-e.k03.b01.z.tm.h5... +Outputting fields to /tmp/meepQTEdbH/test_line_defect-0-e.k03.b02.z.tm.h5... +Outputting fields to /tmp/meepQTEdbH/test_line_defect-0-e.k03.b03.z.tm.h5... +Outputting fields to /tmp/meepQTEdbH/test_line_defect-0-e.k03.b04.z.tm.h5... +Outputting fields to /tmp/meepQTEdbH/test_line_defect-0-e.k03.b05.z.tm.h5... +Outputting fields to /tmp/meepQTEdbH/test_line_defect-0-e.k03.b06.z.tm.h5... +Outputting fields to /tmp/meepQTEdbH/test_line_defect-0-e.k03.b07.z.tm.h5... +Outputting fields to /tmp/meepQTEdbH/test_line_defect-0-e.k03.b08.z.tm.h5... +Outputting fields to /tmp/meepQTEdbH/test_line_defect-0-e.k03.b09.z.tm.h5... +Outputting fields to /tmp/meepQTEdbH/test_line_defect-0-e.k03.b10.z.tm.h5... +Outputting fields to /tmp/meepQTEdbH/test_line_defect-0-e.k03.b11.z.tm.h5... +Outputting fields to /tmp/meepQTEdbH/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. @@ -49965,7 +50005,7 @@ 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: 3.0753860473632812 +elapsed time for k point: 3.246905565261841 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 @@ -49978,18 +50018,18 @@ 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/meepzSgSEm/test_line_defect-0-e.k04.b01.z.tm.h5... -Outputting fields to /tmp/meepzSgSEm/test_line_defect-0-e.k04.b02.z.tm.h5... -Outputting fields to /tmp/meepzSgSEm/test_line_defect-0-e.k04.b03.z.tm.h5... -Outputting fields to /tmp/meepzSgSEm/test_line_defect-0-e.k04.b04.z.tm.h5... -Outputting fields to /tmp/meepzSgSEm/test_line_defect-0-e.k04.b05.z.tm.h5... -Outputting fields to /tmp/meepzSgSEm/test_line_defect-0-e.k04.b06.z.tm.h5... -Outputting fields to /tmp/meepzSgSEm/test_line_defect-0-e.k04.b07.z.tm.h5... -Outputting fields to /tmp/meepzSgSEm/test_line_defect-0-e.k04.b08.z.tm.h5... -Outputting fields to /tmp/meepzSgSEm/test_line_defect-0-e.k04.b09.z.tm.h5... -Outputting fields to /tmp/meepzSgSEm/test_line_defect-0-e.k04.b10.z.tm.h5... -Outputting fields to /tmp/meepzSgSEm/test_line_defect-0-e.k04.b11.z.tm.h5... -Outputting fields to /tmp/meepzSgSEm/test_line_defect-0-e.k04.b12.z.tm.h5... +Outputting fields to /tmp/meepQTEdbH/test_line_defect-0-e.k04.b01.z.tm.h5... +Outputting fields to /tmp/meepQTEdbH/test_line_defect-0-e.k04.b02.z.tm.h5... +Outputting fields to /tmp/meepQTEdbH/test_line_defect-0-e.k04.b03.z.tm.h5... +Outputting fields to /tmp/meepQTEdbH/test_line_defect-0-e.k04.b04.z.tm.h5... +Outputting fields to /tmp/meepQTEdbH/test_line_defect-0-e.k04.b05.z.tm.h5... +Outputting fields to /tmp/meepQTEdbH/test_line_defect-0-e.k04.b06.z.tm.h5... +Outputting fields to /tmp/meepQTEdbH/test_line_defect-0-e.k04.b07.z.tm.h5... +Outputting fields to /tmp/meepQTEdbH/test_line_defect-0-e.k04.b08.z.tm.h5... +Outputting fields to /tmp/meepQTEdbH/test_line_defect-0-e.k04.b09.z.tm.h5... +Outputting fields to /tmp/meepQTEdbH/test_line_defect-0-e.k04.b10.z.tm.h5... +Outputting fields to /tmp/meepQTEdbH/test_line_defect-0-e.k04.b11.z.tm.h5... +Outputting fields to /tmp/meepQTEdbH/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. @@ -50151,7 +50191,7 @@ 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: 2.2868492603302 +elapsed time for k point: 2.3635168075561523 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 @@ -50164,18 +50204,18 @@ 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/meepzSgSEm/test_line_defect-0-e.k05.b01.z.tm.h5... -Outputting fields to /tmp/meepzSgSEm/test_line_defect-0-e.k05.b02.z.tm.h5... -Outputting fields to /tmp/meepzSgSEm/test_line_defect-0-e.k05.b03.z.tm.h5... -Outputting fields to /tmp/meepzSgSEm/test_line_defect-0-e.k05.b04.z.tm.h5... -Outputting fields to /tmp/meepzSgSEm/test_line_defect-0-e.k05.b05.z.tm.h5... -Outputting fields to /tmp/meepzSgSEm/test_line_defect-0-e.k05.b06.z.tm.h5... -Outputting fields to /tmp/meepzSgSEm/test_line_defect-0-e.k05.b07.z.tm.h5... -Outputting fields to /tmp/meepzSgSEm/test_line_defect-0-e.k05.b08.z.tm.h5... -Outputting fields to /tmp/meepzSgSEm/test_line_defect-0-e.k05.b09.z.tm.h5... -Outputting fields to /tmp/meepzSgSEm/test_line_defect-0-e.k05.b10.z.tm.h5... -Outputting fields to /tmp/meepzSgSEm/test_line_defect-0-e.k05.b11.z.tm.h5... -Outputting fields to /tmp/meepzSgSEm/test_line_defect-0-e.k05.b12.z.tm.h5... +Outputting fields to /tmp/meepQTEdbH/test_line_defect-0-e.k05.b01.z.tm.h5... +Outputting fields to /tmp/meepQTEdbH/test_line_defect-0-e.k05.b02.z.tm.h5... +Outputting fields to /tmp/meepQTEdbH/test_line_defect-0-e.k05.b03.z.tm.h5... +Outputting fields to /tmp/meepQTEdbH/test_line_defect-0-e.k05.b04.z.tm.h5... +Outputting fields to /tmp/meepQTEdbH/test_line_defect-0-e.k05.b05.z.tm.h5... +Outputting fields to /tmp/meepQTEdbH/test_line_defect-0-e.k05.b06.z.tm.h5... +Outputting fields to /tmp/meepQTEdbH/test_line_defect-0-e.k05.b07.z.tm.h5... +Outputting fields to /tmp/meepQTEdbH/test_line_defect-0-e.k05.b08.z.tm.h5... +Outputting fields to /tmp/meepQTEdbH/test_line_defect-0-e.k05.b09.z.tm.h5... +Outputting fields to /tmp/meepQTEdbH/test_line_defect-0-e.k05.b10.z.tm.h5... +Outputting fields to /tmp/meepQTEdbH/test_line_defect-0-e.k05.b11.z.tm.h5... +Outputting fields to /tmp/meepQTEdbH/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. @@ -50231,7 +50271,7 @@ 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: 0.7063357830047607 +elapsed time for k point: 0.7193660736083984 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 @@ -50244,18 +50284,18 @@ 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/meepzSgSEm/test_line_defect-0-e.k06.b01.z.tm.h5... -Outputting fields to /tmp/meepzSgSEm/test_line_defect-0-e.k06.b02.z.tm.h5... -Outputting fields to /tmp/meepzSgSEm/test_line_defect-0-e.k06.b03.z.tm.h5... -Outputting fields to /tmp/meepzSgSEm/test_line_defect-0-e.k06.b04.z.tm.h5... -Outputting fields to /tmp/meepzSgSEm/test_line_defect-0-e.k06.b05.z.tm.h5... -Outputting fields to /tmp/meepzSgSEm/test_line_defect-0-e.k06.b06.z.tm.h5... -Outputting fields to /tmp/meepzSgSEm/test_line_defect-0-e.k06.b07.z.tm.h5... -Outputting fields to /tmp/meepzSgSEm/test_line_defect-0-e.k06.b08.z.tm.h5... -Outputting fields to /tmp/meepzSgSEm/test_line_defect-0-e.k06.b09.z.tm.h5... -Outputting fields to /tmp/meepzSgSEm/test_line_defect-0-e.k06.b10.z.tm.h5... -Outputting fields to /tmp/meepzSgSEm/test_line_defect-0-e.k06.b11.z.tm.h5... -Outputting fields to /tmp/meepzSgSEm/test_line_defect-0-e.k06.b12.z.tm.h5... +..Outputting fields to /tmp/meepQTEdbH/test_line_defect-0-e.k06.b01.z.tm.h5... +Outputting fields to /tmp/meepQTEdbH/test_line_defect-0-e.k06.b02.z.tm.h5... +Outputting fields to /tmp/meepQTEdbH/test_line_defect-0-e.k06.b03.z.tm.h5... +Outputting fields to /tmp/meepQTEdbH/test_line_defect-0-e.k06.b04.z.tm.h5... +Outputting fields to /tmp/meepQTEdbH/test_line_defect-0-e.k06.b05.z.tm.h5... +Outputting fields to /tmp/meepQTEdbH/test_line_defect-0-e.k06.b06.z.tm.h5... +Outputting fields to /tmp/meepQTEdbH/test_line_defect-0-e.k06.b07.z.tm.h5... +Outputting fields to /tmp/meepQTEdbH/test_line_defect-0-e.k06.b08.z.tm.h5... +Outputting fields to /tmp/meepQTEdbH/test_line_defect-0-e.k06.b09.z.tm.h5... +Outputting fields to /tmp/meepQTEdbH/test_line_defect-0-e.k06.b10.z.tm.h5... +Outputting fields to /tmp/meepQTEdbH/test_line_defect-0-e.k06.b11.z.tm.h5... +Outputting fields to /tmp/meepQTEdbH/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> @@ -50270,15 +50310,15 @@ 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: 10.7741117477417 +total elapsed time for run: 11.224027872085571 done -/tmp/meepzSgSEm/test_line_defect-0: 10.78s +/tmp/meepQTEdbH/test_line_defect-0: 11.24s -/tmp/meepzSgSEm/test_list_split-0 +/tmp/meepQTEdbH/test_list_split-0 ======================== -/tmp/meepzSgSEm/test_list_split-0: 0.00s +/tmp/meepQTEdbH/test_list_split-0: 0.00s -/tmp/meepzSgSEm/test_load_and_save_eigenvectors-0 +/tmp/meepQTEdbH/test_load_and_save_eigenvectors-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -50321,7 +50361,7 @@ 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: 0.0014116764068603516 +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... @@ -50432,7 +50472,7 @@ 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: 0.1483139991760254 +elapsed time for k point: 0.1429893970489502 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -50683,7 +50723,7 @@ 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: 0.40441250801086426 +elapsed time for k point: 0.39786767959594727 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -50740,7 +50780,7 @@ 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: 0.08861970901489258 +elapsed time for k point: 0.08824658393859863 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -50793,7 +50833,7 @@ 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: 0.08113574981689453 +elapsed time for k point: 0.08072233200073242 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -50854,7 +50894,7 @@ 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: 0.09484338760375977 +elapsed time for k point: 0.09376764297485352 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -50947,7 +50987,7 @@ 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: 0.148911714553833 +elapsed time for k point: 0.14621925354003906 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -51018,7 +51058,7 @@ 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: 0.11067986488342285 +elapsed time for k point: 0.11017346382141113 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -51079,7 +51119,7 @@ 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: 0.09649229049682617 +elapsed time for k point: 0.0936281681060791 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -51132,7 +51172,7 @@ 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: 0.08204388618469238 +elapsed time for k point: 0.08091521263122559 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -51184,7 +51224,7 @@ 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: 0.07787895202636719 +elapsed time for k point: 0.07780838012695312 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -51236,7 +51276,7 @@ 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: 0.07895350456237793 +elapsed time for k point: 0.07718920707702637 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -51277,7 +51317,7 @@ 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: 0.0617213249206543 +elapsed time for k point: 0.06084728240966797 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -51324,7 +51364,7 @@ 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: 0.07188582420349121 +elapsed time for k point: 0.07091712951660156 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -51387,7 +51427,7 @@ 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: 0.09910368919372559 +elapsed time for k point: 0.09711694717407227 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -51460,7 +51500,7 @@ 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: 0.1139981746673584 +elapsed time for k point: 0.11330986022949219 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -51655,7 +51695,7 @@ 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: 0.2546992301940918 +elapsed time for k point: 0.2530674934387207 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> @@ -51667,7 +51707,7 @@ 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: 2.0162911415100098 +total elapsed time for run: 1.9873085021972656 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -51709,7 +51749,7 @@ 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: 0.001390695571899414 +elapsed time for initialization: 0.001413583755493164 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... @@ -51820,7 +51860,7 @@ 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: 0.14534759521484375 +elapsed time for k point: 0.14306259155273438 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -52071,7 +52111,7 @@ 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: 0.40210771560668945 +elapsed time for k point: 0.3990490436553955 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -52128,7 +52168,7 @@ 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: 0.08882880210876465 +elapsed time for k point: 0.08957242965698242 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -52181,7 +52221,7 @@ 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: 0.0811622142791748 +elapsed time for k point: 0.08147358894348145 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -52242,7 +52282,7 @@ 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: 0.09402036666870117 +elapsed time for k point: 0.09348917007446289 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -52335,7 +52375,7 @@ 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: 0.14760375022888184 +elapsed time for k point: 0.14628314971923828 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -52406,7 +52446,7 @@ 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: 0.11195516586303711 +elapsed time for k point: 0.11050295829772949 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -52467,7 +52507,7 @@ 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: 0.09595394134521484 +elapsed time for k point: 0.09381794929504395 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -52520,7 +52560,7 @@ 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: 0.08378434181213379 +elapsed time for k point: 0.08041119575500488 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -52572,7 +52612,7 @@ 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: 0.07821297645568848 +elapsed time for k point: 0.07790017127990723 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -52624,7 +52664,7 @@ 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: 0.07798409461975098 +elapsed time for k point: 0.07713675498962402 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -52665,7 +52705,7 @@ 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: 0.06233406066894531 +elapsed time for k point: 0.06110358238220215 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -52712,7 +52752,7 @@ 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: 0.07162666320800781 +elapsed time for k point: 0.07127737998962402 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -52775,7 +52815,7 @@ 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: 0.09809494018554688 +elapsed time for k point: 0.09757113456726074 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -52848,7 +52888,7 @@ 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: 0.11798977851867676 +elapsed time for k point: 0.11368942260742188 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -53043,7 +53083,7 @@ 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: 0.2540323734283447 +.elapsed time for k point: 0.25312018394470215 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> @@ -53055,11 +53095,11 @@ 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: 2.013648509979248 +total elapsed time for run: 1.9921190738677979 done -/tmp/meepzSgSEm/test_load_and_save_eigenvectors-0: 4.04s +/tmp/meepQTEdbH/test_load_and_save_eigenvectors-0: 3.98s -/tmp/meepzSgSEm/test_maximize_first_tm_gap-0 +/tmp/meepQTEdbH/test_maximize_first_tm_gap-0 ======================== Initializing eigensolver data Computing 2 bands with 1e-12 tolerance @@ -53102,7 +53142,7 @@ 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: 0.0009503364562988281 +elapsed time for initialization: 0.0009341239929199219 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... @@ -53141,7 +53181,7 @@ 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: 0.004319190979003906 +elapsed time for k point: 0.004317045211791992 solve_kpoint (0.1,0,0): Solving for bands 1 to 2... linmin: converged after 10 iterations. @@ -53208,7 +53248,7 @@ 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: 0.016541004180908203 +elapsed time for k point: 0.01665949821472168 solve_kpoint (0.2,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. @@ -53231,7 +53271,7 @@ 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: 0.005238056182861328 +elapsed time for k point: 0.005288600921630859 solve_kpoint (0.3,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -53254,7 +53294,7 @@ 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: 0.00521087646484375 +elapsed time for k point: 0.005251646041870117 solve_kpoint (0.4,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -53275,7 +53315,7 @@ 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: 0.004719257354736328 +elapsed time for k point: 0.0047397613525390625 solve_kpoint (0.5,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. @@ -53296,7 +53336,7 @@ 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: 0.004899740219116211 +elapsed time for k point: 0.004742860794067383 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 2... linmin: converged after 3 iterations. @@ -53317,7 +53357,7 @@ 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: 0.004776716232299805 +elapsed time for k point: 0.0047228336334228516 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -53338,7 +53378,7 @@ 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: 0.00469970703125 +elapsed time for k point: 0.004730939865112305 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -53359,7 +53399,7 @@ 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: 0.0046727657318115234 +elapsed time for k point: 0.004716634750366211 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. @@ -53382,7 +53422,7 @@ 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: 0.005238533020019531 +elapsed time for k point: 0.00524449348449707 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -53405,7 +53445,7 @@ 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: 0.005220651626586914 +elapsed time for k point: 0.005306243896484375 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -53447,7 +53487,7 @@ 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: 0.009684324264526367 +elapsed time for k point: 0.009512186050415039 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -53470,7 +53510,7 @@ 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: 0.005248546600341797 +elapsed time for k point: 0.005286693572998047 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. @@ -53493,7 +53533,7 @@ 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: 0.005229949951171875 +elapsed time for k point: 0.005261659622192383 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 2... linmin: converged after 8 iterations. @@ -53518,7 +53558,7 @@ 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: 0.0057430267333984375 +elapsed time for k point: 0.00577235221862793 solve_kpoint (0,0,0): Solving for bands 2 to 2... linmin: converged after 6 iterations. @@ -53547,11 +53587,11 @@ 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: 0.004208564758300781 +elapsed time for k point: 0.0032346248626708984 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: 0.09734988212585449 +total elapsed time for run: 0.09642410278320312 done Initializing eigensolver data Computing 2 bands with 1e-12 tolerance @@ -53593,7 +53633,7 @@ 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: 0.001190185546875 +elapsed time for initialization: 0.00119781494140625 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... @@ -53634,7 +53674,7 @@ 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: 0.004541158676147461 +elapsed time for k point: 0.0045588016510009766 solve_kpoint (0.1,0,0): Solving for bands 1 to 2... linmin: converged after 9 iterations. @@ -53694,7 +53734,7 @@ 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: 0.014887809753417969 +elapsed time for k point: 0.014968395233154297 solve_kpoint (0.2,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. @@ -53717,7 +53757,7 @@ 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: 0.005464076995849609 +elapsed time for k point: 0.005329608917236328 solve_kpoint (0.3,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. @@ -53740,7 +53780,7 @@ 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: 0.005276918411254883 +elapsed time for k point: 0.005269289016723633 solve_kpoint (0.4,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -53761,7 +53801,7 @@ 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: 0.004717350006103516 +elapsed time for k point: 0.004757404327392578 solve_kpoint (0.5,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -53782,7 +53822,7 @@ 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: 0.0046956539154052734 +elapsed time for k point: 0.004746675491333008 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -53803,7 +53843,7 @@ 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: 0.004922628402709961 +elapsed time for k point: 0.004789590835571289 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -53824,7 +53864,7 @@ 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: 0.0047075748443603516 +elapsed time for k point: 0.004750490188598633 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -53845,7 +53885,7 @@ 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: 0.00470733642578125 +elapsed time for k point: 0.0047299861907958984 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. @@ -53868,7 +53908,7 @@ 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: 0.005305290222167969 +elapsed time for k point: 0.0052509307861328125 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -53891,7 +53931,7 @@ 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: 0.005267143249511719 +elapsed time for k point: 0.005304813385009766 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -53941,7 +53981,7 @@ 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: 0.011931896209716797 +elapsed time for k point: 0.011691093444824219 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. @@ -53964,7 +54004,7 @@ 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: 0.005279541015625 +elapsed time for k point: 0.005285024642944336 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. @@ -53987,7 +54027,7 @@ 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: 0.005269289016723633 +elapsed time for k point: 0.005274772644042969 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. @@ -54010,7 +54050,7 @@ 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: 0.005218505859375 +elapsed time for k point: 0.005293130874633789 solve_kpoint (0,0,0): Solving for bands 2 to 2... linmin: converged after 4 iterations. @@ -54041,11 +54081,11 @@ 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: 0.0034787654876708984 +elapsed time for k point: 0.0034580230712890625 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: 0.09763097763061523 +total elapsed time for run: 0.09735465049743652 done Initializing eigensolver data Computing 2 bands with 1e-12 tolerance @@ -54087,7 +54127,7 @@ 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: 0.0008733272552490234 +elapsed time for initialization: 0.0008873939514160156 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2 Solving for bands 2 to 2... @@ -54134,7 +54174,7 @@ 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: 0.00570225715637207 +elapsed time for k point: 0.005273342132568359 solve_kpoint (0.1,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54171,7 +54211,7 @@ 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: 0.009076118469238281 +elapsed time for k point: 0.009111404418945312 solve_kpoint (0.2,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54196,7 +54236,7 @@ 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: 0.0057621002197265625 +elapsed time for k point: 0.005815029144287109 solve_kpoint (0.3,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54219,7 +54259,7 @@ 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: 0.005263566970825195 +elapsed time for k point: 0.005285978317260742 solve_kpoint (0.4,0,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -54240,7 +54280,7 @@ 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: 0.004699230194091797 +elapsed time for k point: 0.00473475456237793 solve_kpoint (0.5,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. @@ -54261,7 +54301,7 @@ 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: 0.004690408706665039 +elapsed time for k point: 0.004760026931762695 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -54282,7 +54322,7 @@ 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: 0.004711627960205078 +elapsed time for k point: 0.0047647953033447266 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -54303,7 +54343,7 @@ 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: 0.004735708236694336 +elapsed time for k point: 0.0047359466552734375 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -54324,7 +54364,7 @@ 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: 0.004713773727416992 +elapsed time for k point: 0.004725456237792969 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. @@ -54347,7 +54387,7 @@ 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: 0.005231380462646484 +elapsed time for k point: 0.005275726318359375 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. @@ -54370,7 +54410,7 @@ 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: 0.005242824554443359 +elapsed time for k point: 0.005304813385009766 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54409,7 +54449,7 @@ 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: 0.00948190689086914 +elapsed time for k point: 0.009531736373901367 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54432,7 +54472,7 @@ 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: 0.005208730697631836 +elapsed time for k point: 0.005279541015625 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54457,7 +54497,7 @@ 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: 0.005776643753051758 +elapsed time for k point: 0.005812883377075195 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 2... linmin: converged after 9 iterations. @@ -54484,7 +54524,7 @@ 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: 0.006277322769165039 +elapsed time for k point: 0.006349325180053711 solve_kpoint (0,0,0): Solving for bands 2 to 2... linmin: converged after 5 iterations. @@ -54521,11 +54561,11 @@ 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: 0.004227161407470703 +elapsed time for k point: 0.004230022430419922 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: 0.09240269660949707 +total elapsed time for run: 0.09259510040283203 done Initializing eigensolver data Computing 2 bands with 1e-12 tolerance @@ -54567,7 +54607,7 @@ 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: 0.0009257793426513672 +elapsed time for initialization: 0.0009069442749023438 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... @@ -54602,7 +54642,7 @@ 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: 0.003768444061279297 +elapsed time for k point: 0.0037927627563476562 solve_kpoint (0.1,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54627,7 +54667,7 @@ 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: 0.005838155746459961 +elapsed time for k point: 0.005841255187988281 solve_kpoint (0.2,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. @@ -54652,7 +54692,7 @@ 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: 0.005759000778198242 +elapsed time for k point: 0.0058269500732421875 solve_kpoint (0.3,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. @@ -54677,7 +54717,7 @@ 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: 0.005816936492919922 +elapsed time for k point: 0.0058345794677734375 solve_kpoint (0.4,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54700,7 +54740,7 @@ 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: 0.005327463150024414 solve_kpoint (0.5,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54721,7 +54761,7 @@ 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: 0.004677772521972656 +elapsed time for k point: 0.004731655120849609 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -54742,7 +54782,7 @@ 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: 0.0046994686126708984 +elapsed time for k point: 0.004740715026855469 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54763,7 +54803,7 @@ 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: 0.004731655120849609 +elapsed time for k point: 0.004727602005004883 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -54784,7 +54824,7 @@ 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: 0.005110502243041992 +elapsed time for k point: 0.0047342777252197266 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -54809,7 +54849,7 @@ 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: 0.005760908126831055 +elapsed time for k point: 0.005807399749755859 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. @@ -54834,7 +54874,7 @@ 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: 0.005780935287475586 +elapsed time for k point: 0.005784034729003906 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54873,7 +54913,7 @@ 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: 0.009465694427490234 +elapsed time for k point: 0.009552478790283203 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54896,7 +54936,7 @@ 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: 0.00527644157409668 +elapsed time for k point: 0.005259275436401367 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54921,7 +54961,7 @@ 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: 0.0057430267333984375 +elapsed time for k point: 0.005801200866699219 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. @@ -54946,7 +54986,7 @@ 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: 0.005769252777099609 +elapsed time for k point: 0.00582122802734375 solve_kpoint (0,0,0): Solving for bands 2 to 2... linmin: converged after 5 iterations. @@ -54975,15 +55015,15 @@ 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: 0.003223419189453125 +.elapsed time for k point: 0.0032372474670410156 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: 0.08831095695495605 +total elapsed time for run: 0.08841133117675781 done -/tmp/meepzSgSEm/test_maximize_first_tm_gap-0: 0.38s +/tmp/meepQTEdbH/test_maximize_first_tm_gap-0: 0.38s -/tmp/meepzSgSEm/test_multiply_bloch_in_mpb_data-0 +/tmp/meepQTEdbH/test_multiply_bloch_in_mpb_data-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -55026,7 +55066,7 @@ 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: 0.0013709068298339844 +elapsed time for initialization: 0.0013391971588134766 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... @@ -55137,7 +55177,7 @@ 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: 0.14329862594604492 +elapsed time for k point: 0.1431412696838379 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -55388,7 +55428,7 @@ 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: 0.4082043170928955 +elapsed time for k point: 0.40001630783081055 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55445,7 +55485,7 @@ 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: 0.08844804763793945 +elapsed time for k point: 0.0883338451385498 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55498,7 +55538,7 @@ 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: 0.0814056396484375 +elapsed time for k point: 0.08112287521362305 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55559,7 +55599,7 @@ 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: 0.09499573707580566 +elapsed time for k point: 0.09375262260437012 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55652,7 +55692,7 @@ 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: 0.15392780303955078 +elapsed time for k point: 0.14604616165161133 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -55723,7 +55763,7 @@ 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: 0.11050605773925781 +elapsed time for k point: 0.11106586456298828 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55784,7 +55824,7 @@ 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: 0.09569478034973145 +elapsed time for k point: 0.09446001052856445 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55837,7 +55877,7 @@ 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: 0.08209872245788574 +elapsed time for k point: 0.0813150405883789 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55889,7 +55929,7 @@ 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: 0.07814741134643555 +elapsed time for k point: 0.07726836204528809 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55941,7 +55981,7 @@ 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: 0.0779576301574707 +elapsed time for k point: 0.07763028144836426 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55982,7 +56022,7 @@ 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: 0.06422615051269531 +elapsed time for k point: 0.06135749816894531 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -56029,7 +56069,7 @@ 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: 0.07127237319946289 +elapsed time for k point: 0.071044921875 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -56092,7 +56132,7 @@ 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: 0.09952664375305176 +elapsed time for k point: 0.09717869758605957 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -56165,7 +56205,7 @@ 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: 0.11483287811279297 +elapsed time for k point: 0.11391639709472656 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -56360,7 +56400,7 @@ 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: 0.2538437843322754 +elapsed time for k point: 0.2534060478210449 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> @@ -56372,7 +56412,7 @@ 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: 2.020955801010132 +total elapsed time for run: 1.993612289428711 done Fixing e-field (band 8) phase by 2.58922e-07 + 1i; max ampl. = 1.10099 real part range: -1.10098 .. 1.10098 @@ -56421,7 +56461,7 @@ 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: 0.0014085769653320312 +elapsed time for initialization: 0.001445770263671875 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... @@ -56532,7 +56572,7 @@ 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: 0.14334440231323242 +elapsed time for k point: 0.14331889152526855 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -56783,7 +56823,7 @@ 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: 0.40566515922546387 +elapsed time for k point: 0.3985123634338379 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -56840,7 +56880,7 @@ 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: 0.08803272247314453 +elapsed time for k point: 0.08807563781738281 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -56893,7 +56933,7 @@ 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: 0.08584952354431152 +elapsed time for k point: 0.0812978744506836 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -56954,7 +56994,7 @@ 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: 0.09366917610168457 +elapsed time for k point: 0.09389185905456543 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -57047,7 +57087,7 @@ 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: 0.14753437042236328 +elapsed time for k point: 0.1465468406677246 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -57118,7 +57158,7 @@ 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: 0.11077213287353516 +elapsed time for k point: 0.11188602447509766 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -57179,7 +57219,7 @@ 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: 0.09440875053405762 +elapsed time for k point: 0.09445858001708984 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -57232,7 +57272,7 @@ 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: 0.08168935775756836 +elapsed time for k point: 0.08134889602661133 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -57284,7 +57324,7 @@ 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: 0.07832193374633789 +elapsed time for k point: 0.07792139053344727 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -57336,7 +57376,7 @@ 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: 0.07871532440185547 +elapsed time for k point: 0.07790279388427734 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -57377,7 +57417,7 @@ 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: 0.06168031692504883 +elapsed time for k point: 0.06137394905090332 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -57424,7 +57464,7 @@ 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: 0.07198810577392578 +elapsed time for k point: 0.07143998146057129 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -57487,7 +57527,7 @@ 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: 0.09711360931396484 +elapsed time for k point: 0.09744644165039062 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -57560,7 +57600,7 @@ 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: 0.11485099792480469 +elapsed time for k point: 0.11435103416442871 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -57755,7 +57795,7 @@ 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: 0.2543485164642334 +elapsed time for k point: 0.25441694259643555 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> @@ -57767,7 +57807,7 @@ 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: 2.0106093883514404 +total elapsed time for run: 1.9968383312225342 done Fixing e-field (band 8) phase by 2.58922e-07 + 1i; max ampl. = 1.10099 real part range: -1.10098 .. 1.10098 @@ -57776,9 +57816,9 @@ imag part range: -0.00766496 .. 0.00870069 real part range: 0 .. 0 imag part range: 0 .. 0 -./tmp/meepzSgSEm/test_multiply_bloch_in_mpb_data-0: 4.08s +./tmp/meepQTEdbH/test_multiply_bloch_in_mpb_data-0: 4.04s -/tmp/meepzSgSEm/test_multiply_bloch_phase-0 +/tmp/meepQTEdbH/test_multiply_bloch_phase-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -57821,7 +57861,7 @@ 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: 0.0013432502746582031 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... @@ -57932,7 +57972,7 @@ 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: 0.14257097244262695 +elapsed time for k point: 0.14265108108520508 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -58183,7 +58223,7 @@ 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: 0.4034740924835205 +elapsed time for k point: 0.39986491203308105 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58240,7 +58280,7 @@ 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: 0.08831167221069336 +elapsed time for k point: 0.08780670166015625 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58293,7 +58333,7 @@ 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: 0.0858144760131836 +elapsed time for k point: 0.0811622142791748 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58354,7 +58394,7 @@ 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: 0.09338712692260742 +elapsed time for k point: 0.0939795970916748 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58447,7 +58487,7 @@ 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: 0.14705491065979004 +elapsed time for k point: 0.1463322639465332 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -58518,7 +58558,7 @@ 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: 0.11166906356811523 +elapsed time for k point: 0.11090660095214844 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58579,7 +58619,7 @@ 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: 0.09598708152770996 +elapsed time for k point: 0.0945734977722168 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58632,7 +58672,7 @@ 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: 0.08577489852905273 +elapsed time for k point: 0.08126044273376465 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58684,7 +58724,7 @@ 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: 0.07750821113586426 +elapsed time for k point: 0.07761788368225098 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58736,7 +58776,7 @@ 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: 0.07815027236938477 +elapsed time for k point: 0.07742142677307129 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58777,7 +58817,7 @@ 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: 0.06168007850646973 +elapsed time for k point: 0.06192421913146973 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58824,7 +58864,7 @@ 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: 0.07218742370605469 +elapsed time for k point: 0.07170581817626953 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58887,7 +58927,7 @@ 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: 0.09864044189453125 +elapsed time for k point: 0.09738826751708984 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58960,7 +59000,7 @@ 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: 0.11495137214660645 +elapsed time for k point: 0.11465239524841309 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -59155,7 +59195,7 @@ 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: 0.25658535957336426 +elapsed time for k point: 0.2542104721069336 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> @@ -59167,12 +59207,12 @@ 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: 2.0162887573242188 +total elapsed time for run: 1.9960057735443115 done Fixing e-field (band 8) phase by 2.58922e-07 + 1i; max ampl. = 1.10099 -./tmp/meepzSgSEm/test_multiply_bloch_phase-0: 2.02s +./tmp/meepQTEdbH/test_multiply_bloch_phase-0: 2.00s -/tmp/meepzSgSEm/test_output_charge_density-0 +/tmp/meepQTEdbH/test_output_charge_density-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -59215,7 +59255,7 @@ 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: 0.0014052391052246094 +elapsed time for initialization: 0.00139617919921875 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... @@ -59326,7 +59366,7 @@ 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: 0.14442110061645508 +elapsed time for k point: 0.1432180404663086 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -59577,7 +59617,7 @@ 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: 0.4031803607940674 +elapsed time for k point: 0.39975643157958984 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -59634,7 +59674,7 @@ 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: 0.08843016624450684 +elapsed time for k point: 0.08817267417907715 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -59687,7 +59727,7 @@ 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: 0.08391118049621582 +elapsed time for k point: 0.08143091201782227 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -59748,7 +59788,7 @@ 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: 0.0955653190612793 +elapsed time for k point: 0.09449648857116699 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -59841,7 +59881,7 @@ 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: 0.14865922927856445 +elapsed time for k point: 0.1464221477508545 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -59912,7 +59952,7 @@ 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: 0.11270022392272949 +elapsed time for k point: 0.11192750930786133 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -59973,7 +60013,7 @@ 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: 0.09456229209899902 +elapsed time for k point: 0.09420013427734375 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -60026,7 +60066,7 @@ 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: 0.08175253868103027 +elapsed time for k point: 0.0812218189239502 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -60078,7 +60118,7 @@ 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: 0.07772636413574219 +elapsed time for k point: 0.07814788818359375 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -60130,7 +60170,7 @@ 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: 0.07837367057800293 +elapsed time for k point: 0.0778963565826416 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -60171,7 +60211,7 @@ 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: 0.06146240234375 +elapsed time for k point: 0.06108283996582031 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -60218,7 +60258,7 @@ 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: 0.07269525527954102 +elapsed time for k point: 0.0714573860168457 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -60281,7 +60321,7 @@ 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: 0.09723210334777832 +elapsed time for k point: 0.09750938415527344 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -60354,7 +60394,7 @@ 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: 0.11452817916870117 +elapsed time for k point: 0.11455750465393066 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -60549,7 +60589,7 @@ 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: 0.25750255584716797 +elapsed time for k point: 0.2540011405944824 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> @@ -60561,13 +60601,13 @@ 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: 2.0153017044067383 +total elapsed time for run: 1.998164176940918 done Fixing e-field (band 8) phase by 2.58922e-07 + 1i; max ampl. = 1.10099 -.Outputting complex scalar field to /tmp/meepzSgSEm/test_output_charge_density-0-C.k16.b08.te.h5... -/tmp/meepzSgSEm/test_output_charge_density-0: 2.02s +.Outputting complex scalar field to /tmp/meepQTEdbH/test_output_charge_density-0-C.k16.b08.te.h5... +/tmp/meepQTEdbH/test_output_charge_density-0: 2.00s -/tmp/meepzSgSEm/test_output_dpwr_in_objects-0 +/tmp/meepQTEdbH/test_output_dpwr_in_objects-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -60610,7 +60650,7 @@ 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: 0.0013422966003417969 +elapsed time for initialization: 0.0013628005981445312 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... @@ -60721,12 +60761,12 @@ 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: 0.14527463912963867 +elapsed time for k point: 0.14331960678100586 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/meepzSgSEm/test_output_dpwr_in_objects-0-d.k01.b02.te.h5... +Outputting fields to /tmp/meepQTEdbH/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 @@ -60989,7 +61029,7 @@ 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: 0.40473127365112305 +elapsed time for k point: 0.4005739688873291 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 @@ -61062,7 +61102,7 @@ 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: 0.08919143676757812 +elapsed time for k point: 0.0883946418762207 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 @@ -61131,7 +61171,7 @@ 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: 0.08120346069335938 +elapsed time for k point: 0.0814962387084961 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 @@ -61208,7 +61248,7 @@ 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: 0.09419751167297363 +elapsed time for k point: 0.09464049339294434 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 @@ -61317,7 +61357,7 @@ 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: 0.14670729637145996 +elapsed time for k point: 0.14705753326416016 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 @@ -61404,7 +61444,7 @@ 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: 0.11534619331359863 +elapsed time for k point: 0.11169028282165527 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 @@ -61481,7 +61521,7 @@ 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: 0.09363412857055664 +elapsed time for k point: 0.09499788284301758 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 @@ -61550,7 +61590,7 @@ 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: 0.08190155029296875 +elapsed time for k point: 0.08184599876403809 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 @@ -61618,7 +61658,7 @@ 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: 0.08235907554626465 +elapsed time for k point: 0.07864689826965332 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 @@ -61686,7 +61726,7 @@ 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: 0.07721590995788574 +elapsed time for k point: 0.07822990417480469 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 @@ -61743,7 +61783,7 @@ 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: 0.06343793869018555 +elapsed time for k point: 0.061799049377441406 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 @@ -61806,7 +61846,7 @@ 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: 0.07223677635192871 +elapsed time for k point: 0.07183432579040527 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 @@ -61885,7 +61925,7 @@ 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: 0.09871768951416016 +elapsed time for k point: 0.09843778610229492 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 @@ -61974,7 +62014,7 @@ 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: 0.11533856391906738 +elapsed time for k point: 0.11482620239257812 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 @@ -62185,12 +62225,12 @@ 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: 0.25576281547546387 +elapsed time for k point: 0.25458478927612305 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/meepzSgSEm/test_output_dpwr_in_objects-0-d.k16.b02.te.h5... +Outputting fields to /tmp/meepQTEdbH/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 @@ -62214,11 +62254,11 @@ 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: 2.0686237812042236 +total elapsed time for run: 2.055000066757202 done -/tmp/meepzSgSEm/test_output_dpwr_in_objects-0: 2.07s +/tmp/meepQTEdbH/test_output_dpwr_in_objects-0: 2.06s -/tmp/meepzSgSEm/test_output_efield_z-0 +/tmp/meepQTEdbH/test_output_efield_z-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -62261,7 +62301,7 @@ 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: 0.0013360977172851562 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... @@ -62397,7 +62437,7 @@ 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: 0.16735219955444336 +elapsed time for k point: 0.1679983139038086 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62448,7 +62488,7 @@ 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: 0.0784292221069336 +elapsed time for k point: 0.07796287536621094 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -62479,7 +62519,7 @@ 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: 0.04466986656188965 +elapsed time for k point: 0.045089006423950195 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62510,7 +62550,7 @@ 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: 0.04543924331665039 +elapsed time for k point: 0.04531145095825195 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62541,7 +62581,7 @@ 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: 0.04555249214172363 +elapsed time for k point: 0.04529619216918945 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62572,7 +62612,7 @@ 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: 0.04495048522949219 +elapsed time for k point: 0.04510760307312012 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62601,7 +62641,7 @@ 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: 0.04286909103393555 +elapsed time for k point: 0.042003631591796875 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62628,7 +62668,7 @@ 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: 0.03927493095397949 +elapsed time for k point: 0.03860783576965332 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62657,7 +62697,7 @@ 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: 0.04250049591064453 +elapsed time for k point: 0.04189705848693848 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62690,7 +62730,7 @@ 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: 0.048424482345581055 +elapsed time for k point: 0.04820394515991211 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62725,7 +62765,7 @@ 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: 0.05222606658935547 +elapsed time for k point: 0.05237293243408203 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62762,7 +62802,7 @@ 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: 0.05547451972961426 +elapsed time for k point: 0.05543327331542969 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -62791,7 +62831,7 @@ 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: 0.04308629035949707 +elapsed time for k point: 0.041795969009399414 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -62820,7 +62860,7 @@ 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: 0.04207897186279297 +elapsed time for k point: 0.04177737236022949 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62853,7 +62893,7 @@ 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: 0.048339128494262695 +elapsed time for k point: 0.0485384464263916 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. @@ -62985,7 +63025,7 @@ 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: 0.16533398628234863 +elapsed time for k point: 0.16234326362609863 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> @@ -62996,13 +63036,13 @@ 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: 1.0085804462432861 +total elapsed time for run: 1.0023136138916016 done Fixing e-field (band 8) phase by 2.441e-08 + -1i; max ampl. = 1.49941 -FOutputting fields to /tmp/meepzSgSEm/test_output_efield_z-0-e.k16.b08.z.tm.h5... -/tmp/meepzSgSEm/test_output_efield_z-0: 1.01s +FOutputting fields to /tmp/meepQTEdbH/test_output_efield_z-0-e.k16.b08.z.tm.h5... +/tmp/meepQTEdbH/test_output_efield_z-0: 1.01s -/tmp/meepzSgSEm/test_output_field_to_file-0 +/tmp/meepQTEdbH/test_output_field_to_file-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -63045,7 +63085,7 @@ 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: 0.001355886459350586 +elapsed time for initialization: 0.0013670921325683594 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... @@ -63156,7 +63196,7 @@ 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: 0.14285039901733398 +elapsed time for k point: 0.1418476104736328 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -63407,7 +63447,7 @@ 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: 0.39850926399230957 +elapsed time for k point: 0.40069103240966797 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63464,7 +63504,7 @@ 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: 0.08916497230529785 +elapsed time for k point: 0.08768630027770996 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63517,7 +63557,7 @@ 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: 0.0807030200958252 +elapsed time for k point: 0.08087706565856934 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63578,7 +63618,7 @@ 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: 0.09431767463684082 +elapsed time for k point: 0.09392142295837402 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63671,7 +63711,7 @@ 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: 0.1464838981628418 +elapsed time for k point: 0.14648842811584473 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -63742,7 +63782,7 @@ 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: 0.11149168014526367 +elapsed time for k point: 0.11137866973876953 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63803,7 +63843,7 @@ 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: 0.09408235549926758 +elapsed time for k point: 0.09435844421386719 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63856,7 +63896,7 @@ 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: 0.08428573608398438 +elapsed time for k point: 0.08181285858154297 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63908,7 +63948,7 @@ 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: 0.07631182670593262 +elapsed time for k point: 0.07765674591064453 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63960,7 +64000,7 @@ 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: 0.07714128494262695 +elapsed time for k point: 0.07740283012390137 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -64001,7 +64041,7 @@ 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: 0.06441044807434082 +elapsed time for k point: 0.06108903884887695 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -64048,7 +64088,7 @@ 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: 0.07103252410888672 +elapsed time for k point: 0.08148026466369629 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -64111,7 +64151,7 @@ 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: 0.09793949127197266 +elapsed time for k point: 0.14471173286437988 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -64184,7 +64224,7 @@ 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: 0.11584138870239258 +elapsed time for k point: 0.16720151901245117 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -64379,7 +64419,7 @@ 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: 0.251539945602417 +elapsed time for k point: 0.4304633140563965 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> @@ -64391,13 +64431,13 @@ 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: 1.9986851215362549 +total elapsed time for run: 2.2817018032073975 done epsilon: 1-12, mean 2.38229, harm. mean 1.1448, 14.5508% > 1, 12.5663% "fill" -.Outputting /tmp/meepzSgSEm/test_output_field_to_file-0-epsilon.h5... -/tmp/meepzSgSEm/test_output_field_to_file-0: 2.01s +.Outputting /tmp/meepQTEdbH/test_output_field_to_file-0-epsilon.h5... +/tmp/meepQTEdbH/test_output_field_to_file-0: 2.33s -/tmp/meepzSgSEm/test_output_tot_pwr-0 +/tmp/meepQTEdbH/test_output_tot_pwr-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -64440,7 +64480,7 @@ 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: 0.0014009475708007812 +elapsed time for initialization: 0.0013439655303955078 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... @@ -64551,7 +64591,7 @@ 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: 0.14121270179748535 +elapsed time for k point: 0.14114665985107422 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -64802,7 +64842,7 @@ 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: 0.3966090679168701 +elapsed time for k point: 0.42295122146606445 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -64859,7 +64899,7 @@ 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: 0.08815550804138184 +elapsed time for k point: 0.08749532699584961 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -64912,7 +64952,7 @@ 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: 0.08164787292480469 +elapsed time for k point: 0.0803067684173584 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -64973,7 +65013,7 @@ 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: 0.09353518486022949 +elapsed time for k point: 0.09334301948547363 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -65066,7 +65106,7 @@ 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: 0.14480924606323242 +elapsed time for k point: 0.19576740264892578 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -65137,7 +65177,7 @@ 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: 0.10979437828063965 +elapsed time for k point: 0.1775355339050293 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -65198,7 +65238,7 @@ 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: 0.09308648109436035 +elapsed time for k point: 0.10401582717895508 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -65251,7 +65291,7 @@ 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: 0.08064556121826172 +elapsed time for k point: 0.08264970779418945 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -65303,7 +65343,7 @@ 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: 0.07738637924194336 +elapsed time for k point: 0.08771276473999023 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -65355,7 +65395,7 @@ 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: 0.07727813720703125 +elapsed time for k point: 0.11511015892028809 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -65396,7 +65436,7 @@ 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: 0.0602421760559082 +elapsed time for k point: 0.07678675651550293 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -65443,7 +65483,7 @@ 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: 0.07109808921813965 +elapsed time for k point: 0.07142853736877441 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -65506,7 +65546,7 @@ 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: 0.09694981575012207 +elapsed time for k point: 0.09725236892700195 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -65579,7 +65619,7 @@ 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: 0.11330199241638184 +elapsed time for k point: 0.15273761749267578 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -65774,7 +65814,7 @@ 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: 0.25162529945373535 +elapsed time for k point: 0.26691651344299316 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> @@ -65786,16 +65826,16 @@ 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: 1.9799609184265137 +total elapsed time for run: 2.255819320678711 done D-energy-components:, 16, 8, 0.499991, 0.500009, 0 B-energy-components:, 16, 8, 0, 0, 1 -Outputting /tmp/meepzSgSEm/test_output_tot_pwr-0-tot.rpwr.k16.b08.te.h5... +Outputting /tmp/meepQTEdbH/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/meepzSgSEm/test_output_tot_pwr-0: 1.99s +./tmp/meepQTEdbH/test_output_tot_pwr-0: 2.26s -/tmp/meepzSgSEm/test_point_defect_state-0 +/tmp/meepQTEdbH/test_point_defect_state-0 ======================== Initializing eigensolver data Computing 50 bands with 1e-12 tolerance @@ -65873,7 +65913,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.03193402290344238 +elapsed time for initialization: 0.03200387954711914 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... @@ -66712,11 +66752,11 @@ 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: 31.45352840423584 -total elapsed time for run: 31.485636949539185 +elapsed time for k point: 38.42438507080078 +total elapsed time for run: 38.45656728744507 done Fixing e-field (band 25) phase by -0.24413 + -0.969743i; max ampl. = 0.816569 -Outputting fields to /tmp/meepzSgSEm/test_point_defect_state-0-e.k01.b25.z.tm.h5... +Outputting fields to /tmp/meepQTEdbH/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 @@ -66796,7 +66836,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.007226467132568359 +elapsed time for initialization: 0.007071733474731445 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -67170,8 +67210,8 @@ 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: 0.7171165943145752 -total elapsed time for run: 0.7244417667388916 +elapsed time for k point: 0.7204978466033936 +total elapsed time for run: 0.7276699542999268 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -67251,7 +67291,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.006325721740722656 +elapsed time for initialization: 0.0062863826751708984 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -67625,8 +67665,8 @@ 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: 0.7140226364135742 -total elapsed time for run: 0.7204205989837646 +elapsed time for k point: 0.7172949314117432 +total elapsed time for run: 0.7236552238464355 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -67706,7 +67746,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.006367683410644531 +elapsed time for initialization: 0.0064182281494140625 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -68151,8 +68191,8 @@ 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: 0.839557409286499 -total elapsed time for run: 0.8459947109222412 +elapsed time for k point: 0.8450534343719482 +total elapsed time for run: 0.8515517711639404 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -68232,7 +68272,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.006406307220458984 +elapsed time for initialization: 0.006392240524291992 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -68565,8 +68605,8 @@ 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: 0.6479194164276123 -total elapsed time for run: 0.6543967723846436 +elapsed time for k point: 0.6502656936645508 +total elapsed time for run: 0.6567418575286865 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -68646,7 +68686,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.0067522525787353516 +elapsed time for initialization: 0.006392955780029297 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -68947,8 +68987,8 @@ 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: 0.582017183303833 -total elapsed time for run: 0.5888426303863525 +elapsed time for k point: 0.6453588008880615 +total elapsed time for run: 0.651831865310669 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -69028,7 +69068,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.0063686370849609375 +elapsed time for initialization: 0.006365060806274414 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -69363,8 +69403,8 @@ 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: 0.6331794261932373 -total elapsed time for run: 0.6396205425262451 +elapsed time for k point: 0.6371512413024902 +total elapsed time for run: 0.6435935497283936 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -69444,7 +69484,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.006378173828125 +elapsed time for initialization: 0.006375789642333984 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -69769,8 +69809,8 @@ 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: 0.6151278018951416 -total elapsed time for run: 0.6215765476226807 +elapsed time for k point: 0.6275866031646729 +total elapsed time for run: 0.6340396404266357 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -69850,7 +69890,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.006386280059814453 +elapsed time for initialization: 0.006351947784423828 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -70174,8 +70214,8 @@ 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: 0.6169941425323486 -total elapsed time for run: 0.6234517097473145 +elapsed time for k point: 0.6233587265014648 +total elapsed time for run: 0.6297881603240967 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -70255,7 +70295,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.006398677825927734 +elapsed time for initialization: 0.006395101547241211 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -70579,8 +70619,8 @@ 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: 0.6218962669372559 -total elapsed time for run: 0.6283659934997559 +elapsed time for k point: 0.6302971839904785 +total elapsed time for run: 0.6367738246917725 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -70660,7 +70700,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.006369590759277344 +elapsed time for initialization: 0.006361961364746094 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -70978,8 +71018,8 @@ 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: 0.6029155254364014 -total elapsed time for run: 0.6093571186065674 +elapsed time for k point: 0.6468110084533691 +total elapsed time for run: 0.6532528400421143 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -71059,7 +71099,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.006352424621582031 +elapsed time for initialization: 0.006385087966918945 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -71383,8 +71423,8 @@ 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: 0.6171479225158691 -total elapsed time for run: 0.6235721111297607 +elapsed time for k point: 0.766991138458252 +total elapsed time for run: 0.7734549045562744 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -71464,7 +71504,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.006357669830322266 +elapsed time for initialization: 0.006502866744995117 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -71798,8 +71838,8 @@ 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: 0.6506342887878418 -total elapsed time for run: 0.6570634841918945 +elapsed time for k point: 0.8939628601074219 +total elapsed time for run: 0.9005429744720459 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -71879,7 +71919,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.0067217350006103516 +elapsed time for initialization: 0.006430149078369141 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -72203,8 +72243,8 @@ 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: 0.619377613067627 -total elapsed time for run: 0.6261749267578125 +elapsed time for k point: 0.8600845336914062 +total elapsed time for run: 0.8665907382965088 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -72284,7 +72324,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.006376981735229492 +elapsed time for initialization: 0.007843017578125 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -72607,8 +72647,8 @@ 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: 0.6143093109130859 -total elapsed time for run: 0.6207563877105713 +elapsed time for k point: 0.950864315032959 +total elapsed time for run: 0.9587831497192383 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -72688,7 +72728,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.006340503692626953 +elapsed time for initialization: 0.006414890289306641 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -73012,8 +73052,8 @@ 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: 0.6144809722900391 -total elapsed time for run: 0.6208927631378174 +elapsed time for k point: 1.272495985031128 +total elapsed time for run: 1.2789936065673828 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -73093,7 +73133,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.006376743316650391 +elapsed time for initialization: 0.010059356689453125 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -73417,12 +73457,12 @@ 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: 0.6165671348571777 -total elapsed time for run: 0.623016357421875 +.elapsed time for k point: 1.221043586730957 +total elapsed time for run: 1.2311806678771973 done -/tmp/meepzSgSEm/test_point_defect_state-0: 41.93s +/tmp/meepQTEdbH/test_point_defect_state-0: 51.29s -/tmp/meepzSgSEm/test_poynting-0 +/tmp/meepQTEdbH/test_poynting-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -73465,7 +73505,7 @@ 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: 0.00133514404296875 +elapsed time for initialization: 0.001354217529296875 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -73576,7 +73616,7 @@ 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: 0.1428539752960205 +elapsed time for k point: 0.32071638107299805 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -73827,7 +73867,7 @@ 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: 0.402904748916626 +elapsed time for k point: 0.5013396739959717 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -73884,7 +73924,7 @@ 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: 0.08825135231018066 +elapsed time for k point: 0.21924710273742676 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -73937,7 +73977,7 @@ 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: 0.08087158203125 +elapsed time for k point: 0.21693944931030273 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -73998,7 +74038,7 @@ 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: 0.09429550170898438 +elapsed time for k point: 0.14346718788146973 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -74091,7 +74131,7 @@ 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: 0.14490985870361328 +elapsed time for k point: 0.17381620407104492 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -74162,7 +74202,7 @@ 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: 0.11073780059814453 +elapsed time for k point: 0.12458133697509766 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -74223,7 +74263,7 @@ 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: 0.09480571746826172 +elapsed time for k point: 0.10769367218017578 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -74276,7 +74316,7 @@ 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: 0.08090829849243164 +elapsed time for k point: 0.10233712196350098 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -74328,7 +74368,7 @@ 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: 0.07686543464660645 +elapsed time for k point: 0.08733654022216797 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -74382,15 +74422,15 @@ tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 /build/reproducible-path/meep-1.29.0/python/meep/mpb/solver.py:366: DeprecationWarning: __array__ implementation doesn't accept a copy keyword, so passing copy=False failed. __array__ must implement 'dtype' and 'copy' keyword arguments. To learn more, see the migration guide https://numpy.org/devdocs/numpy_2_0_migration_guide.html#adapting-to-changes-in-the-copy-keyword res[i] = np.array(ExH(e[i], h[i])) -elapsed time for k point: 0.07755494117736816 -Outputting fields to /tmp/meepzSgSEm/test_poynting-0-flux.v.k11.b01.te.h5... -Outputting fields to /tmp/meepzSgSEm/test_poynting-0-flux.v.k11.b02.te.h5... -Outputting fields to /tmp/meepzSgSEm/test_poynting-0-flux.v.k11.b03.te.h5... -Outputting fields to /tmp/meepzSgSEm/test_poynting-0-flux.v.k11.b04.te.h5... -Outputting fields to /tmp/meepzSgSEm/test_poynting-0-flux.v.k11.b05.te.h5... -Outputting fields to /tmp/meepzSgSEm/test_poynting-0-flux.v.k11.b06.te.h5... -Outputting fields to /tmp/meepzSgSEm/test_poynting-0-flux.v.k11.b07.te.h5... -Outputting fields to /tmp/meepzSgSEm/test_poynting-0-flux.v.k11.b08.te.h5... +elapsed time for k point: 0.08786654472351074 +Outputting fields to /tmp/meepQTEdbH/test_poynting-0-flux.v.k11.b01.te.h5... +Outputting fields to /tmp/meepQTEdbH/test_poynting-0-flux.v.k11.b02.te.h5... +Outputting fields to /tmp/meepQTEdbH/test_poynting-0-flux.v.k11.b03.te.h5... +Outputting fields to /tmp/meepQTEdbH/test_poynting-0-flux.v.k11.b04.te.h5... +Outputting fields to /tmp/meepQTEdbH/test_poynting-0-flux.v.k11.b05.te.h5... +Outputting fields to /tmp/meepQTEdbH/test_poynting-0-flux.v.k11.b06.te.h5... +Outputting fields to /tmp/meepQTEdbH/test_poynting-0-flux.v.k11.b07.te.h5... +Outputting fields to /tmp/meepQTEdbH/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. @@ -74431,7 +74471,7 @@ 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: 0.06119537353515625 +elapsed time for k point: 0.06250953674316406 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -74478,7 +74518,7 @@ 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: 0.07060933113098145 +elapsed time for k point: 0.11532378196716309 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -74541,7 +74581,7 @@ 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: 0.09612369537353516 +elapsed time for k point: 0.21762394905090332 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -74614,7 +74654,7 @@ 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: 0.1128239631652832 +elapsed time for k point: 0.13827943801879883 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -74809,7 +74849,7 @@ 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: 0.2524728775024414 +..elapsed time for k point: 0.2984809875488281 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> @@ -74821,15 +74861,15 @@ 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: 2.113088607788086 +total elapsed time for run: 3.0452804565429688 done -/tmp/meepzSgSEm/test_poynting-0: 2.12s +/tmp/meepQTEdbH/test_poynting-0: 3.05s -/tmp/meepzSgSEm/test_resolution-0 +/tmp/meepQTEdbH/test_resolution-0 ======================== -/tmp/meepzSgSEm/test_resolution-0: 0.00s +/tmp/meepQTEdbH/test_resolution-0: 0.00s -/tmp/meepzSgSEm/test_run_te-0 +/tmp/meepQTEdbH/test_run_te-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -74872,7 +74912,7 @@ 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: 0.0013654232025146484 +elapsed time for initialization: 0.0014159679412841797 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... @@ -74983,7 +75023,7 @@ 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: 0.14289116859436035 +elapsed time for k point: 0.14330792427062988 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -75234,7 +75274,7 @@ 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: 0.3971407413482666 +elapsed time for k point: 0.4609212875366211 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -75291,7 +75331,7 @@ 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: 0.08738994598388672 +elapsed time for k point: 0.08800959587097168 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -75344,7 +75384,7 @@ 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: 0.08073616027832031 +elapsed time for k point: 0.08055853843688965 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -75405,7 +75445,7 @@ 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: 0.09380078315734863 +elapsed time for k point: 0.10123085975646973 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -75498,7 +75538,7 @@ 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: 0.14572477340698242 +elapsed time for k point: 0.1454312801361084 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -75569,7 +75609,7 @@ 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: 0.11051130294799805 +elapsed time for k point: 0.11023473739624023 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -75630,7 +75670,7 @@ 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: 0.0939333438873291 +elapsed time for k point: 0.0937802791595459 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -75683,7 +75723,7 @@ 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: 0.08066487312316895 +elapsed time for k point: 0.0807037353515625 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -75735,7 +75775,7 @@ 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: 0.0770878791809082 +elapsed time for k point: 0.0776970386505127 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -75787,7 +75827,7 @@ 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: 0.07718849182128906 +elapsed time for k point: 0.07770633697509766 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -75828,7 +75868,7 @@ 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: 0.061287641525268555 +elapsed time for k point: 0.061617136001586914 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -75875,7 +75915,7 @@ 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: 0.0711665153503418 +elapsed time for k point: 0.07126688957214355 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -75938,7 +75978,7 @@ 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: 0.09714603424072266 +elapsed time for k point: 0.0977933406829834 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -76011,7 +76051,7 @@ 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: 0.11354637145996094 +elapsed time for k point: 0.11435723304748535 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -76206,7 +76246,7 @@ 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: 0.25491905212402344 +.elapsed time for k point: 0.2516956329345703 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> @@ -76218,11 +76258,11 @@ 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: 1.987722396850586 +total elapsed time for run: 2.0589258670806885 done -/tmp/meepzSgSEm/test_run_te-0: 1.99s +/tmp/meepQTEdbH/test_run_te-0: 2.06s -/tmp/meepzSgSEm/test_run_te_no_geometry-0 +/tmp/meepQTEdbH/test_run_te_no_geometry-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-07 tolerance @@ -76263,7 +76303,7 @@ 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: 0.0009701251983642578 +elapsed time for initialization: 0.001039743423461914 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... @@ -76286,7 +76326,7 @@ 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: 0.023993253707885742 +elapsed time for k point: 0.023894071578979492 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... near maximum in trace @@ -76296,35 +76336,35 @@ 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: 0.0089111328125 +elapsed time for k point: 0.009019136428833008 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: 0.005642414093017578 +elapsed time for k point: 0.0056629180908203125 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: 0.00556182861328125 +elapsed time for k point: 0.0070836544036865234 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: 0.005578041076660156 +elapsed time for k point: 0.005657672882080078 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: 0.0056192874908447266 +elapsed time for k point: 0.005708217620849609 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... near maximum in trace @@ -76334,7 +76374,7 @@ 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: 0.00886392593383789 +elapsed time for k point: 0.00922536849975586 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... near maximum in trace @@ -76344,7 +76384,7 @@ 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: 0.008897066116333008 +elapsed time for k point: 0.00944209098815918 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -76365,21 +76405,21 @@ 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: 0.02859640121459961 +elapsed time for k point: 0.0778193473815918 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: 0.005629539489746094 +elapsed time for k point: 0.0179750919342041 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: 0.005573272705078125 +elapsed time for k point: 0.009875774383544922 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... near maximum in trace @@ -76541,35 +76581,35 @@ 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: 0.25504398345947266 +elapsed time for k point: 0.3411991596221924 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: 0.005635976791381836 +elapsed time for k point: 0.00588226318359375 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: 0.005544424057006836 +elapsed time for k point: 0.0057642459869384766 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: 0.005635261535644531 +elapsed time for k point: 0.00585627555847168 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: 0.004758358001708984 +.elapsed time for k point: 0.004825592041015625 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> @@ -76578,11 +76618,11 @@ 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: 0.3916640281677246 +total elapsed time for run: 0.5472269058227539 done -/tmp/meepzSgSEm/test_run_te_no_geometry-0: 0.39s +/tmp/meepQTEdbH/test_run_te_no_geometry-0: 0.55s -/tmp/meepzSgSEm/test_run_te_with_mu_material-0 +/tmp/meepQTEdbH/test_run_te_with_mu_material-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -76626,7 +76666,7 @@ 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: 0.001912832260131836 +elapsed time for initialization: 0.003698110580444336 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... @@ -77044,7 +77084,7 @@ 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: 1.0610790252685547 +elapsed time for k point: 1.5600910186767578 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -77412,7 +77452,7 @@ 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: 0.9657690525054932 +elapsed time for k point: 0.9862270355224609 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -77662,7 +77702,7 @@ 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: 0.6703131198883057 +elapsed time for k point: 0.6691691875457764 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -77889,7 +77929,7 @@ 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: 0.6486444473266602 +elapsed time for k point: 0.6395761966705322 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -78460,7 +78500,7 @@ 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: 1.7637438774108887 +elapsed time for k point: 1.745511531829834 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -78621,7 +78661,7 @@ 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: 0.4945046901702881 +elapsed time for k point: 0.48951220512390137 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -78805,7 +78845,7 @@ 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: 0.5552976131439209 +elapsed time for k point: 0.55116868019104 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -79017,7 +79057,7 @@ 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: 0.6533873081207275 +elapsed time for k point: 0.6452035903930664 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -79272,7 +79312,7 @@ 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: 0.7902984619140625 +elapsed time for k point: 0.7818894386291504 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -79958,7 +79998,7 @@ 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: 2.0937979221343994 +elapsed time for k point: 2.38642954826355 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -80103,7 +80143,7 @@ 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: 0.4405245780944824 +elapsed time for k point: 0.4397008419036865 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -80310,7 +80350,7 @@ 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: 0.6223363876342773 +elapsed time for k point: 0.6283700466156006 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -80581,7 +80621,7 @@ 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: 0.791445255279541 +elapsed time for k point: 0.8014121055603027 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -80836,7 +80876,7 @@ 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: 0.688046932220459 +elapsed time for k point: 0.6992740631103516 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -81154,7 +81194,7 @@ 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: 0.8983027935028076 +elapsed time for k point: 0.836158275604248 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 3 iterations. @@ -81426,7 +81466,7 @@ 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: 0.6882529258728027 +elapsed time for k point: 0.6871528625488281 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> @@ -81437,14 +81477,14 @@ 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: 13.828928470611572 +total elapsed time for run: 14.551790237426758 done mu: 1-5, mean 1.50265, harm. mean 1.12084, 14.5508% > 1, 12.5663% "fill" -Outputting /tmp/meepzSgSEm/test_run_te_with_mu_material-0-mu.h5... +Outputting /tmp/meepQTEdbH/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/meepzSgSEm/test_run_te_with_mu_material-0: 13.83s +./tmp/meepQTEdbH/test_run_te_with_mu_material-0: 14.56s -/tmp/meepzSgSEm/test_run_tm-0 +/tmp/meepQTEdbH/test_run_tm-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -81487,7 +81527,7 @@ 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: 0.0013549327850341797 +elapsed time for initialization: 0.0013470649719238281 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... @@ -81623,7 +81663,7 @@ 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: 0.16675257682800293 +elapsed time for k point: 0.16768240928649902 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -81674,7 +81714,7 @@ 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: 0.0787668228149414 +elapsed time for k point: 0.0780332088470459 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -81705,7 +81745,7 @@ 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: 0.04479265213012695 +elapsed time for k point: 0.04530072212219238 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -81736,7 +81776,7 @@ 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: 0.04520773887634277 +elapsed time for k point: 0.04543113708496094 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -81767,7 +81807,7 @@ 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: 0.04489398002624512 +elapsed time for k point: 0.045156240463256836 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -81798,7 +81838,7 @@ 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: 0.04479265213012695 +elapsed time for k point: 0.04498434066772461 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -81827,7 +81867,7 @@ 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: 0.0422358512878418 +elapsed time for k point: 0.04170393943786621 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -81854,7 +81894,7 @@ 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: 0.03848671913146973 +elapsed time for k point: 0.03861355781555176 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -81883,7 +81923,7 @@ 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: 0.05933403968811035 +elapsed time for k point: 0.041750192642211914 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -81916,7 +81956,7 @@ 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: 0.10970950126647949 +elapsed time for k point: 0.048223257064819336 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -81951,7 +81991,7 @@ 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: 0.0949561595916748 +elapsed time for k point: 0.05178213119506836 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -81988,7 +82028,7 @@ 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: 0.05519390106201172 +elapsed time for k point: 0.05543875694274902 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -82017,7 +82057,7 @@ 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: 0.04190802574157715 +elapsed time for k point: 0.042025089263916016 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -82046,7 +82086,7 @@ 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: 0.04171490669250488 +elapsed time for k point: 0.04195857048034668 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -82079,7 +82119,7 @@ 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: 0.048545122146606445 +elapsed time for k point: 0.0487215518951416 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. @@ -82211,7 +82251,7 @@ 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: 0.16330862045288086 +.elapsed time for k point: 0.16148924827575684 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> @@ -82222,11 +82262,11 @@ 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: 1.1235623359680176 +total elapsed time for run: 1.000889539718628 done -/tmp/meepzSgSEm/test_run_tm-0: 1.12s +/tmp/meepQTEdbH/test_run_tm-0: 1.00s -/tmp/meepzSgSEm/test_set_eigenvectors-0 +/tmp/meepQTEdbH/test_set_eigenvectors-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -82269,7 +82309,7 @@ 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: 0.0013933181762695312 +elapsed time for initialization: 0.0013744831085205078 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... @@ -82380,7 +82420,7 @@ 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: 0.14449763298034668 +elapsed time for k point: 0.14548563957214355 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -82631,7 +82671,7 @@ 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: 0.4015512466430664 +elapsed time for k point: 0.4042191505432129 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -82688,7 +82728,7 @@ 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: 0.08837342262268066 +elapsed time for k point: 0.08870553970336914 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -82741,7 +82781,7 @@ 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: 0.08154940605163574 +elapsed time for k point: 0.08168315887451172 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -82802,7 +82842,7 @@ 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: 0.09418773651123047 +elapsed time for k point: 0.09494376182556152 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -82895,7 +82935,7 @@ 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: 0.14713811874389648 +elapsed time for k point: 0.14690351486206055 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -82966,7 +83006,7 @@ 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: 0.11180496215820312 +elapsed time for k point: 0.11105942726135254 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -83027,7 +83067,7 @@ 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: 0.09445476531982422 +elapsed time for k point: 0.0945286750793457 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -83080,7 +83120,7 @@ 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: 0.08155369758605957 +elapsed time for k point: 0.08156824111938477 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -83132,7 +83172,7 @@ 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: 0.07841777801513672 +elapsed time for k point: 0.07792377471923828 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -83184,7 +83224,7 @@ 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: 0.0772712230682373 +elapsed time for k point: 0.07781696319580078 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -83225,7 +83265,7 @@ 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: 0.060830116271972656 +elapsed time for k point: 0.06162095069885254 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -83272,7 +83312,7 @@ 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: 0.07093977928161621 +elapsed time for k point: 0.0717005729675293 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -83335,7 +83375,7 @@ 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: 0.09616708755493164 +elapsed time for k point: 0.09779644012451172 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -83408,7 +83448,7 @@ 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: 0.11263275146484375 +elapsed time for k point: 0.11433887481689453 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -83603,7 +83643,7 @@ 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: 0.25267982482910156 +elapsed time for k point: 0.2518794536590576 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> @@ -83615,7 +83655,7 @@ 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: 1.9966542720794678 +total elapsed time for run: 2.004803419113159 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -83657,7 +83697,7 @@ 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: 0.001348733901977539 +elapsed time for initialization: 0.0014083385467529297 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... @@ -83768,7 +83808,7 @@ 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: 0.1430039405822754 +elapsed time for k point: 0.141920804977417 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -84019,7 +84059,7 @@ 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: 0.3981647491455078 +elapsed time for k point: 0.40217041969299316 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -84076,7 +84116,7 @@ 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: 0.08760976791381836 +elapsed time for k point: 0.0889582633972168 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -84129,7 +84169,7 @@ 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: 0.08099889755249023 +elapsed time for k point: 0.08174633979797363 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -84190,7 +84230,7 @@ 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: 0.09345388412475586 +elapsed time for k point: 0.09481143951416016 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -84283,7 +84323,7 @@ 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: 0.14621806144714355 +elapsed time for k point: 0.14743852615356445 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -84354,7 +84394,7 @@ 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: 0.11217880249023438 +elapsed time for k point: 0.11180830001831055 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -84415,7 +84455,7 @@ 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: 0.09630060195922852 +elapsed time for k point: 0.09491086006164551 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -84468,7 +84508,7 @@ 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: 0.08161616325378418 +elapsed time for k point: 0.08196163177490234 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -84520,7 +84560,7 @@ 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: 0.07769536972045898 +elapsed time for k point: 0.0779728889465332 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -84572,7 +84612,7 @@ 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: 0.0776817798614502 +elapsed time for k point: 0.07813096046447754 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -84613,7 +84653,7 @@ 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: 0.061203956604003906 +elapsed time for k point: 0.061803340911865234 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -84660,7 +84700,7 @@ 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: 0.07085227966308594 +elapsed time for k point: 0.07146191596984863 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -84723,7 +84763,7 @@ 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: 0.09662532806396484 +elapsed time for k point: 0.09779596328735352 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -84796,7 +84836,7 @@ 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: 0.11383056640625 +elapsed time for k point: 0.11511087417602539 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -84991,7 +85031,7 @@ 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: 0.2531740665435791 +elapsed time for k point: 0.25118517875671387 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> @@ -85003,7 +85043,7 @@ 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: 1.9931848049163818 +total elapsed time for run: 2.0018465518951416 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -85045,7 +85085,7 @@ 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: 0.0013816356658935547 +elapsed time for initialization: 0.0013794898986816406 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... @@ -85156,7 +85196,7 @@ 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: 0.1428050994873047 +elapsed time for k point: 0.14144039154052734 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -85407,7 +85447,7 @@ 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: 0.39664721488952637 +elapsed time for k point: 0.4001271724700928 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85464,7 +85504,7 @@ 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: 0.08754849433898926 +elapsed time for k point: 0.08852267265319824 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85517,7 +85557,7 @@ 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: 0.08070063591003418 +elapsed time for k point: 0.08144593238830566 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85578,7 +85618,7 @@ 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: 0.09391188621520996 +elapsed time for k point: 0.09406852722167969 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85671,7 +85711,7 @@ 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: 0.1455249786376953 +elapsed time for k point: 0.1472606658935547 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -85742,7 +85782,7 @@ 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: 0.11035919189453125 +elapsed time for k point: 0.11105966567993164 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85803,7 +85843,7 @@ 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: 0.09306049346923828 +elapsed time for k point: 0.09424686431884766 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85856,7 +85896,7 @@ 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: 0.08101367950439453 +elapsed time for k point: 0.08162569999694824 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85908,7 +85948,7 @@ 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: 0.0771021842956543 +elapsed time for k point: 0.07817196846008301 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85960,7 +86000,7 @@ 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: 0.07694816589355469 +elapsed time for k point: 0.07752013206481934 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -86001,7 +86041,7 @@ 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: 0.06054949760437012 +elapsed time for k point: 0.06155657768249512 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -86048,7 +86088,7 @@ 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: 0.07102274894714355 +elapsed time for k point: 0.07151198387145996 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -86111,7 +86151,7 @@ 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: 0.09714984893798828 +elapsed time for k point: 0.09775328636169434 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -86184,7 +86224,7 @@ 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: 0.1232767105102539 +elapsed time for k point: 0.11449599266052246 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -86379,7 +86419,7 @@ 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: 0.26894545555114746 +.elapsed time for k point: 0.2511460781097412 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> @@ -86391,11 +86431,11 @@ 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: 2.0092849731445312 +total elapsed time for run: 1.9945745468139648 done -/tmp/meepzSgSEm/test_set_eigenvectors-0: 6.00s +/tmp/meepQTEdbH/test_set_eigenvectors-0: 6.00s -/tmp/meepzSgSEm/test_sq_rods-0 +/tmp/meepQTEdbH/test_sq_rods-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -86438,7 +86478,7 @@ 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: 0.001886129379272461 +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... @@ -86537,7 +86577,7 @@ 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: 0.16756319999694824 +elapsed time for k point: 0.12618613243103027 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 14 iterations. @@ -86816,7 +86856,7 @@ 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: 0.49057936668395996 +elapsed time for k point: 0.4452517032623291 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -86875,7 +86915,7 @@ 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: 0.09603619575500488 +elapsed time for k point: 0.0918266773223877 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -86924,7 +86964,7 @@ 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: 0.07460737228393555 +elapsed time for k point: 0.07556438446044922 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -86983,7 +87023,7 @@ 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: 0.09064722061157227 +elapsed time for k point: 0.09202957153320312 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -87086,7 +87126,7 @@ 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: 0.15909314155578613 +elapsed time for k point: 0.16164231300354004 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -87157,7 +87197,7 @@ 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: 0.11050009727478027 +elapsed time for k point: 0.11249876022338867 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -87216,7 +87256,7 @@ 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: 0.09083318710327148 +elapsed time for k point: 0.09197020530700684 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -87267,7 +87307,7 @@ 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: 0.07729315757751465 +elapsed time for k point: 0.07812166213989258 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -87319,7 +87359,7 @@ 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: 0.07742595672607422 +elapsed time for k point: 0.07821440696716309 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -87369,7 +87409,7 @@ 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: 0.07474374771118164 +elapsed time for k point: 0.07486772537231445 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -87410,7 +87450,7 @@ 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: 0.06100869178771973 +elapsed time for k point: 0.061536312103271484 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -87455,7 +87495,7 @@ 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: 0.06748771667480469 +elapsed time for k point: 0.06802225112915039 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -87512,7 +87552,7 @@ 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: 0.08773589134216309 +elapsed time for k point: 0.08826327323913574 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -87587,7 +87627,7 @@ 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: 0.11702990531921387 +elapsed time for k point: 0.11761784553527832 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -87765,7 +87805,7 @@ 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: 0.23218274116516113 +elapsed time for k point: 0.22926616668701172 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> @@ -87777,7 +87817,7 @@ 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: 2.077897548675537 +total elapsed time for run: 1.9955015182495117 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -87819,7 +87859,7 @@ 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: 0.0013394355773925781 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... @@ -87896,7 +87936,7 @@ 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: 0.09630584716796875 +elapsed time for k point: 0.09627556800842285 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -87955,7 +87995,7 @@ 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: 0.08919620513916016 +elapsed time for k point: 0.0911562442779541 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -87986,7 +88026,7 @@ 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: 0.044403076171875 +elapsed time for k point: 0.04482316970825195 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -88017,7 +88057,7 @@ 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: 0.04408526420593262 +elapsed time for k point: 0.045088768005371094 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -88048,7 +88088,7 @@ 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: 0.04401993751525879 +elapsed time for k point: 0.045044660568237305 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -88081,7 +88121,7 @@ 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: 0.047467708587646484 +elapsed time for k point: 0.048317670822143555 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -88108,7 +88148,7 @@ 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: 0.03821253776550293 +elapsed time for k point: 0.0384678840637207 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -88137,7 +88177,7 @@ 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: 0.04106926918029785 +elapsed time for k point: 0.04212689399719238 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -88166,7 +88206,7 @@ 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: 0.04117393493652344 +elapsed time for k point: 0.0418705940246582 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -88199,7 +88239,7 @@ 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: 0.047960758209228516 +elapsed time for k point: 0.04816102981567383 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -88234,7 +88274,7 @@ 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: 0.05122494697570801 +elapsed time for k point: 0.051511287689208984 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -88273,7 +88313,7 @@ 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: 0.057685136795043945 +elapsed time for k point: 0.05798006057739258 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -88302,7 +88342,7 @@ 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: 0.04141354560852051 +elapsed time for k point: 0.04188799858093262 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -88331,7 +88371,7 @@ 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: 0.04131007194519043 +elapsed time for k point: 0.0418243408203125 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -88362,7 +88402,7 @@ 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: 0.04483747482299805 +elapsed time for k point: 0.04509091377258301 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. @@ -88495,7 +88535,7 @@ 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: 0.16073369979858398 +.elapsed time for k point: 0.1614513397216797 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> @@ -88506,11 +88546,11 @@ 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: 0.9336569309234619 +total elapsed time for run: 0.9436395168304443 done -/tmp/meepzSgSEm/test_sq_rods-0: 3.01s +/tmp/meepQTEdbH/test_sq_rods-0: 2.94s -/tmp/meepzSgSEm/test_strip-0 +/tmp/meepQTEdbH/test_strip-0 ======================== Initializing eigensolver data Computing 4 bands with 1e-12 tolerance @@ -88552,7 +88592,7 @@ 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: 0.004181623458862305 +elapsed time for initialization: 0.0041391849517822266 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... @@ -88641,7 +88681,7 @@ 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: 0.2523808479309082 +elapsed time for k point: 0.25887441635131836 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): @@ -88708,7 +88748,7 @@ 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: 0.1874220371246338 +elapsed time for k point: 0.19250869750976562 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): @@ -88781,7 +88821,7 @@ 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: 0.2045278549194336 +elapsed time for k point: 0.21123361587524414 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): @@ -88844,7 +88884,7 @@ 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: 0.17242980003356934 +elapsed time for k point: 0.17777681350708008 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): @@ -88957,7 +88997,7 @@ 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: 0.3242452144622803 +elapsed time for k point: 0.3344268798828125 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): @@ -89022,7 +89062,7 @@ 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: 0.17993664741516113 +elapsed time for k point: 0.18703246116638184 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): @@ -89095,7 +89135,7 @@ 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: 0.1994640827178955 +elapsed time for k point: 0.2050929069519043 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): @@ -89329,7 +89369,7 @@ 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: 0.6754791736602783 +elapsed time for k point: 0.6979403495788574 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): @@ -89380,7 +89420,7 @@ 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: 0.13608431816101074 +elapsed time for k point: 0.14203333854675293 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): @@ -89419,7 +89459,7 @@ 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: 0.1001288890838623 +elapsed time for k point: 0.10519242286682129 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): @@ -89458,18 +89498,18 @@ 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: 0.10108494758605957 +Felapsed time for k point: 0.10454320907592773 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: 2.5394794940948486 +total elapsed time for run: 2.623274326324463 done -/tmp/meepzSgSEm/test_strip-0: 2.54s +/tmp/meepQTEdbH/test_strip-0: 2.63s -/tmp/meepzSgSEm/test_subpixel_averaging-0 +/tmp/meepQTEdbH/test_subpixel_averaging-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -89512,7 +89552,7 @@ 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: 0.0013797283172607422 +elapsed time for initialization: 0.001397848129272461 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... @@ -89623,7 +89663,7 @@ 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: 0.1414189338684082 +elapsed time for k point: 0.14507007598876953 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -89874,7 +89914,7 @@ 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: 0.39368700981140137 +elapsed time for k point: 0.40294384956359863 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -89931,7 +89971,7 @@ 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: 0.08668255805969238 +elapsed time for k point: 0.0884859561920166 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -89984,7 +90024,7 @@ 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: 0.07960867881774902 +elapsed time for k point: 0.08194994926452637 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -90045,7 +90085,7 @@ 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: 0.09236526489257812 +elapsed time for k point: 0.09445333480834961 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -90138,7 +90178,7 @@ 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: 0.1432816982269287 +elapsed time for k point: 0.14795851707458496 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -90209,7 +90249,7 @@ 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: 0.10848283767700195 +elapsed time for k point: 0.11141037940979004 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -90270,7 +90310,7 @@ 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: 0.09230470657348633 +elapsed time for k point: 0.0949702262878418 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -90323,7 +90363,7 @@ 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: 0.07929515838623047 +elapsed time for k point: 0.08184099197387695 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -90375,7 +90415,7 @@ 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: 0.07561922073364258 +elapsed time for k point: 0.07867074012756348 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -90427,7 +90467,7 @@ 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: 0.07623934745788574 +elapsed time for k point: 0.07847213745117188 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -90468,7 +90508,7 @@ 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: 0.060430049896240234 +elapsed time for k point: 0.06237053871154785 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -90515,7 +90555,7 @@ 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: 0.06981658935546875 +elapsed time for k point: 0.0721597671508789 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -90578,7 +90618,7 @@ 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: 0.09617114067077637 +elapsed time for k point: 0.09870266914367676 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -90651,7 +90691,7 @@ 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: 0.11225605010986328 +elapsed time for k point: 0.11532449722290039 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -90846,7 +90886,7 @@ 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: 0.2479541301727295 +elapsed time for k point: 0.2559380531311035 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> @@ -90858,13 +90898,13 @@ 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: 1.9581170082092285 +total elapsed time for run: 2.013357639312744 done epsilon: 1-12, mean 2.38229, harm. mean 1.1448, 14.5508% > 1, 12.5663% "fill" -.Outputting /tmp/meepzSgSEm/test_subpixel_averaging-0-epsilon.h5... -/tmp/meepzSgSEm/test_subpixel_averaging-0: 1.97s +.Outputting /tmp/meepQTEdbH/test_subpixel_averaging-0-epsilon.h5... +/tmp/meepQTEdbH/test_subpixel_averaging-0: 2.03s -/tmp/meepzSgSEm/test_symmetry_overlap-0 +/tmp/meepQTEdbH/test_symmetry_overlap-0 ======================== Initializing eigensolver data Computing 6 bands with 1e-12 tolerance @@ -90892,7 +90932,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.5> -elapsed time for initialization: 0.04641461372375488 +elapsed time for initialization: 0.04621100425720215 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... @@ -90953,8 +90993,8 @@ 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: 4.076314687728882 -total elapsed time for run: 4.122813940048218 +elapsed time for k point: 4.319344758987427 +total elapsed time for run: 4.3656463623046875 done Initializing eigensolver data Computing 6 bands with 1e-12 tolerance @@ -90981,7 +91021,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.044481754302978516 +elapsed time for initialization: 0.04437685012817383 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... @@ -91164,8 +91204,8 @@ 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: 9.299794435501099 -total elapsed time for run: 9.344367980957031 +elapsed time for k point: 10.122412204742432 +total elapsed time for run: 10.166918277740479 done Initializing eigensolver data Computing 6 bands with 1e-12 tolerance @@ -91192,7 +91232,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.04453468322753906 +elapsed time for initialization: 0.04443836212158203 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... @@ -91261,12 +91301,12 @@ 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: 3.231586456298828 -total elapsed time for run: 3.2762231826782227 +.elapsed time for k point: 3.94985032081604 +total elapsed time for run: 3.9944064617156982 done -/tmp/meepzSgSEm/test_symmetry_overlap-0: 17.19s +/tmp/meepQTEdbH/test_symmetry_overlap-0: 18.98s -/tmp/meepzSgSEm/test_tri_holes-0 +/tmp/meepQTEdbH/test_tri_holes-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -91309,7 +91349,7 @@ 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: 0.0020546913146972656 +elapsed time for initialization: 0.002118349075317383 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... @@ -91431,7 +91471,7 @@ 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: 0.1517353057861328 +elapsed time for k point: 0.15366435050964355 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -91540,7 +91580,7 @@ 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: 0.1664597988128662 +elapsed time for k point: 0.17295122146606445 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -91601,7 +91641,7 @@ 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: 0.09192824363708496 +elapsed time for k point: 0.09750556945800781 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -91660,7 +91700,7 @@ 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: 0.08903288841247559 +elapsed time for k point: 0.09279370307922363 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -91725,7 +91765,7 @@ 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: 0.0987555980682373 +elapsed time for k point: 0.10208749771118164 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -91800,7 +91840,7 @@ 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: 0.11463332176208496 +elapsed time for k point: 0.11871767044067383 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -91861,7 +91901,7 @@ 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: 0.09233736991882324 +elapsed time for k point: 0.09534955024719238 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -91928,7 +91968,7 @@ 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: 0.10173916816711426 +elapsed time for k point: 0.11024713516235352 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -91995,7 +92035,7 @@ 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: 0.10231304168701172 +elapsed time for k point: 0.10567688941955566 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -92064,7 +92104,7 @@ 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: 0.10535335540771484 +elapsed time for k point: 0.10818099975585938 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -92179,7 +92219,7 @@ 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: 0.17709875106811523 +elapsed time for k point: 0.1827983856201172 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -92242,7 +92282,7 @@ 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: 0.09543132781982422 +elapsed time for k point: 0.10066509246826172 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -92299,7 +92339,7 @@ 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: 0.08616352081298828 +elapsed time for k point: 0.08946084976196289 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -92354,7 +92394,7 @@ 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: 0.08263778686523438 +elapsed time for k point: 0.08610033988952637 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -92422,7 +92462,7 @@ 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: 0.10224032402038574 +elapsed time for k point: 0.10628151893615723 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. @@ -92651,7 +92691,7 @@ 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: 0.2935183048248291 +elapsed time for k point: 0.2964932918548584 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> @@ -92663,7 +92703,7 @@ 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: 1.9545624256134033 +total elapsed time for run: 2.02297306060791 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -92705,7 +92745,7 @@ 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: 0.002092123031616211 +elapsed time for initialization: 0.002109527587890625 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... @@ -92774,7 +92814,7 @@ 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: 0.08497023582458496 +elapsed time for k point: 0.08648228645324707 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -92819,7 +92859,7 @@ 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: 0.06691098213195801 +elapsed time for k point: 0.0685429573059082 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. @@ -92856,7 +92896,7 @@ 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: 0.05393695831298828 +elapsed time for k point: 0.05540323257446289 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 9 iterations. @@ -92889,7 +92929,7 @@ 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: 0.04795360565185547 +elapsed time for k point: 0.0489194393157959 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -92920,7 +92960,7 @@ 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: 0.04450058937072754 +elapsed time for k point: 0.04540753364562988 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -92955,7 +92995,7 @@ 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: 0.05075669288635254 +elapsed time for k point: 0.051940202713012695 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -92988,7 +93028,7 @@ 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: 0.04750800132751465 +elapsed time for k point: 0.04862022399902344 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93023,7 +93063,7 @@ 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: 0.05051088333129883 +elapsed time for k point: 0.0518641471862793 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93058,7 +93098,7 @@ 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: 0.050580501556396484 +elapsed time for k point: 0.05185747146606445 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93095,7 +93135,7 @@ 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: 0.054248809814453125 +elapsed time for k point: 0.0555422306060791 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -93157,7 +93197,7 @@ 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: 0.08917379379272461 +elapsed time for k point: 0.09186673164367676 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 7 iterations. @@ -93192,7 +93232,7 @@ 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: 0.05051279067993164 +elapsed time for k point: 0.05197548866271973 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. @@ -93223,7 +93263,7 @@ 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: 0.044037818908691406 +elapsed time for k point: 0.04536032676696777 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. @@ -93254,7 +93294,7 @@ 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: 0.044295310974121094 +elapsed time for k point: 0.04507803916931152 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 8 iterations. @@ -93295,7 +93335,7 @@ 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: 0.06026506423950195 +elapsed time for k point: 0.061678171157836914 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 7 iterations. @@ -93363,7 +93403,7 @@ 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: 0.0844113826751709 +.elapsed time for k point: 0.0862123966217041 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> @@ -93378,11 +93418,11 @@ 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: 0.9283661842346191 +total elapsed time for run: 0.9501233100891113 done -/tmp/meepzSgSEm/test_tri_holes-0: 2.88s +/tmp/meepQTEdbH/test_tri_holes-0: 2.97s -/tmp/meepzSgSEm/test_tri_rods-0 +/tmp/meepQTEdbH/test_tri_rods-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -93424,7 +93464,7 @@ 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: 0.0014319419860839844 +elapsed time for initialization: 0.0014908313751220703 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... @@ -93479,7 +93519,7 @@ 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: 0.06591534614562988 +elapsed time for k point: 0.0672760009765625 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -93520,7 +93560,7 @@ 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: 0.0599215030670166 +elapsed time for k point: 0.06142854690551758 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93555,7 +93595,7 @@ 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: 0.05049490928649902 +elapsed time for k point: 0.051308631896972656 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93588,7 +93628,7 @@ 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: 0.0472712516784668 +elapsed time for k point: 0.04834103584289551 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93619,7 +93659,7 @@ 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: 0.044242143630981445 +elapsed time for k point: 0.04498291015625 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93650,7 +93690,7 @@ 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: 0.04410409927368164 +elapsed time for k point: 0.04493999481201172 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93679,7 +93719,7 @@ 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: 0.040854692459106445 +elapsed time for k point: 0.04202890396118164 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93708,7 +93748,7 @@ 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: 0.04101204872131348 +elapsed time for k point: 0.04208779335021973 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93733,7 +93773,7 @@ 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: 0.03438115119934082 +elapsed time for k point: 0.03524017333984375 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93758,7 +93798,7 @@ 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: 0.03495430946350098 +elapsed time for k point: 0.035610198974609375 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -93781,23 +93821,23 @@ 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: 0.03128480911254883 +elapsed time for k point: 0.031955718994140625 Fixing e-field (band 1) phase by -1 + 4.11973e-08i; max ampl. = 0.93911 -Outputting fields to /tmp/meepzSgSEm/test_tri_rods-0-e.k11.b01.z.tm.h5... +Outputting fields to /tmp/meepQTEdbH/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/meepzSgSEm/test_tri_rods-0-e.k11.b02.z.tm.h5... +Outputting fields to /tmp/meepQTEdbH/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/meepzSgSEm/test_tri_rods-0-e.k11.b03.z.tm.h5... +Outputting fields to /tmp/meepQTEdbH/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/meepzSgSEm/test_tri_rods-0-e.k11.b04.z.tm.h5... +Outputting fields to /tmp/meepQTEdbH/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/meepzSgSEm/test_tri_rods-0-e.k11.b05.z.tm.h5... +Outputting fields to /tmp/meepQTEdbH/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/meepzSgSEm/test_tri_rods-0-e.k11.b06.z.tm.h5... +Outputting fields to /tmp/meepQTEdbH/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/meepzSgSEm/test_tri_rods-0-e.k11.b07.z.tm.h5... +Outputting fields to /tmp/meepQTEdbH/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/meepzSgSEm/test_tri_rods-0-e.k11.b08.z.tm.h5... +Outputting fields to /tmp/meepQTEdbH/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. @@ -93824,7 +93864,7 @@ 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: 0.03778338432312012 +elapsed time for k point: 0.03876090049743652 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93853,7 +93893,7 @@ 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: 0.04109764099121094 +elapsed time for k point: 0.04223203659057617 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -93884,7 +93924,7 @@ 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: 0.04446768760681152 +elapsed time for k point: 0.04512429237365723 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93923,7 +93963,7 @@ 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: 0.05716252326965332 +elapsed time for k point: 0.05818986892700195 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. @@ -93960,7 +94000,7 @@ 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: 0.04464077949523926 +elapsed time for k point: 0.04557919502258301 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> @@ -93974,7 +94014,7 @@ 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: 0.7352063655853271 +total elapsed time for run: 0.7533502578735352 done Read lattice vectors Read Bloch wavevector (-0.333333, 0.333333, 0) @@ -94024,7 +94064,7 @@ 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: 0.0015063285827636719 +elapsed time for initialization: 0.0014870166778564453 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... @@ -94143,7 +94183,7 @@ 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: 0.15102291107177734 +elapsed time for k point: 0.154707670211792 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -94210,7 +94250,7 @@ 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: 0.10259842872619629 +elapsed time for k point: 0.10468816757202148 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -94273,7 +94313,7 @@ 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: 0.09604907035827637 +elapsed time for k point: 0.09698772430419922 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -94328,7 +94368,7 @@ 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: 0.08309555053710938 +elapsed time for k point: 0.08423519134521484 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -94379,7 +94419,7 @@ 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: 0.07663583755493164 +elapsed time for k point: 0.07767653465270996 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -94428,7 +94468,7 @@ 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: 0.07317686080932617 +elapsed time for k point: 0.07433462142944336 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -94481,7 +94521,7 @@ 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: 0.07974767684936523 +elapsed time for k point: 0.08121514320373535 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -94534,7 +94574,7 @@ 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: 0.07987427711486816 +elapsed time for k point: 0.08101272583007812 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -94585,7 +94625,7 @@ 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: 0.0767507553100586 +elapsed time for k point: 0.07781171798706055 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -94634,7 +94674,7 @@ 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: 0.07386279106140137 +elapsed time for k point: 0.07475423812866211 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -94677,7 +94717,7 @@ 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: 0.06369853019714355 +elapsed time for k point: 0.0647435188293457 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -94724,7 +94764,7 @@ 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: 0.07033801078796387 +elapsed time for k point: 0.07115888595581055 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -94773,7 +94813,7 @@ 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: 0.07391715049743652 +elapsed time for k point: 0.07510757446289062 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -94832,7 +94872,7 @@ 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: 0.08938837051391602 +elapsed time for k point: 0.09055733680725098 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -94903,7 +94943,7 @@ 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: 0.10894083976745605 +elapsed time for k point: 0.11078429222106934 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 6 iterations. @@ -94978,7 +95018,7 @@ 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: 0.09474587440490723 +elapsed time for k point: 0.0970768928527832 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> @@ -94989,7 +95029,7 @@ 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: 1.396517276763916 +total elapsed time for run: 1.4196021556854248 done epsilon: 1-12, mean 2.59614, harm. mean 1.17149, 17.2852% > 1, 14.5104% "fill" Read lattice vectors @@ -94999,9 +95039,9 @@ Input data is rank 2, size 32x32x1. Output data 96x83x1 real part range: 1 .. 12 -./tmp/meepzSgSEm/test_tri_rods-0: 2.15s +./tmp/meepQTEdbH/test_tri_rods-0: 2.19s -/tmp/meepzSgSEm/test_triangular_lattice-0 +/tmp/meepQTEdbH/test_triangular_lattice-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -95044,7 +95084,7 @@ 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: 0.0014691352844238281 +elapsed time for initialization: 0.0014758110046386719 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... @@ -95099,7 +95139,7 @@ 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: 0.0666959285736084 +elapsed time for k point: 0.06647944450378418 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -95140,7 +95180,7 @@ 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: 0.06035780906677246 +elapsed time for k point: 0.06128048896789551 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -95175,7 +95215,7 @@ 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: 0.05084037780761719 +elapsed time for k point: 0.051488399505615234 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -95208,7 +95248,7 @@ 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: 0.047838449478149414 +elapsed time for k point: 0.04898643493652344 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -95239,7 +95279,7 @@ 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: 0.0443415641784668 +elapsed time for k point: 0.04539895057678223 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -95270,7 +95310,7 @@ 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: 0.04455089569091797 +elapsed time for k point: 0.04544949531555176 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -95299,7 +95339,7 @@ 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: 0.04100918769836426 +elapsed time for k point: 0.04223442077636719 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -95328,7 +95368,7 @@ 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: 0.04117250442504883 +elapsed time for k point: 0.041906118392944336 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -95353,7 +95393,7 @@ 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: 0.03479790687561035 +elapsed time for k point: 0.03524160385131836 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -95378,7 +95418,7 @@ 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: 0.035314321517944336 +elapsed time for k point: 0.03574252128601074 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -95401,7 +95441,7 @@ 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: 0.031524658203125 +elapsed time for k point: 0.03194451332092285 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -95428,7 +95468,7 @@ 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: 0.037990570068359375 +elapsed time for k point: 0.038385629653930664 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -95457,7 +95497,7 @@ 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: 0.0410006046295166 +elapsed time for k point: 0.042040109634399414 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -95488,7 +95528,7 @@ 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: 0.044466495513916016 +elapsed time for k point: 0.04488849639892578 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -95527,7 +95567,7 @@ 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: 0.05733609199523926 +elapsed time for k point: 0.058007240295410156 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. @@ -95632,10 +95672,10 @@ AssertionError: -0.9945407488966614 != -0.9950905165813099 within 3 places (0.0005497676846484278 difference) ---------------------------------------------------------------------- -Ran 47 tests in 269.104s +Ran 47 tests in 312.086s FAILED (failures=5) -elapsed time for k point: 0.04476737976074219 +elapsed time for k point: 0.045096635818481445 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> @@ -95649,15 +95689,15 @@ 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: 0.7266337871551514 +total elapsed time for run: 0.7373394966125488 done -/tmp/meepzSgSEm/test_triangular_lattice-0: 0.73s +/tmp/meepQTEdbH/test_triangular_lattice-0: 0.74s -/tmp/meepzSgSEm/test_update_band_range_data-0 +/tmp/meepQTEdbH/test_update_band_range_data-0 ======================== -/tmp/meepzSgSEm/test_update_band_range_data-0: 0.00s +/tmp/meepQTEdbH/test_update_band_range_data-0: 0.00s -Elapsed run time = 269.1413 s +Elapsed run time = 312.2827 s FAIL tests/test_mpb.py (exit status: 1) FAIL: tests/test_mode_decomposition @@ -95672,24 +95712,24 @@ FAIL: tests/test_multilevel_atom ================================ -mkdir -p failed for path /nonexistent/first-build/.config/matplotlib: [Errno 13] Permission denied: '/nonexistent' -Matplotlib created a temporary cache directory at /tmp/matplotlib-w035e9kj because there was an issue with the default path (/nonexistent/first-build/.config/matplotlib); 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. +mkdir -p failed for path /nonexistent/second-build/.config/matplotlib: [Errno 13] Permission denied: '/nonexistent' +Matplotlib created a temporary cache directory at /tmp/matplotlib-i_b3rfe2 because there was an issue with the default path (/nonexistent/second-build/.config/matplotlib); 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 = 3.91006e-05 s +time for choose_chunkdivision = 3.38554e-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 = 6.00815e-05 s +time for set_epsilon = 6.10352e-05 s multilevel atom susceptibility ----------- -Meep progress: 3007.8125/7000.0 = 43.0% done in 4.0s, 5.3s to go -on time step 240625 (time=3007.81), 1.66235e-05 s/step -Meep progress: 6016.175/7000.0 = 85.9% done in 8.0s, 1.3s to go -on time step 481297 (time=6016.21), 1.66202e-05 s/step +Meep progress: 2942.6125/7000.0 = 42.0% done in 4.0s, 5.5s to go +on time step 235409 (time=2942.61), 1.69919e-05 s/step +Meep progress: 5909.55/7000.0 = 84.4% done in 8.0s, 1.5s to go +on time step 472766 (time=5909.58), 1.68523e-05 s/step F ====================================================================== FAIL: test_multilevel_atom (__main__.TestMultiLevelAtom.test_multilevel_atom) @@ -95719,11 +95759,11 @@ AssertionError: -0.04452311652305546 != -2.7110969214986387 within 7 places (2.666573804975583 difference) ---------------------------------------------------------------------- -Ran 1 test in 9.313s +Ran 1 test in 9.464s FAILED (failures=1) -Elapsed run time = 9.3153 s +Elapsed run time = 9.4658 s FAIL tests/test_multilevel_atom.py (exit status: 1) FAIL: tests/test_pml_cyl @@ -95747,12 +95787,12 @@ FAIL: tests/test_ring ===================== -mkdir -p failed for path /nonexistent/first-build/.config/matplotlib: [Errno 13] Permission denied: '/nonexistent' -Matplotlib created a temporary cache directory at /tmp/matplotlib-otou5t0f because there was an issue with the default path (/nonexistent/first-build/.config/matplotlib); 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. +mkdir -p failed for path /nonexistent/second-build/.config/matplotlib: [Errno 13] Permission denied: '/nonexistent' +Matplotlib created a temporary cache directory at /tmp/matplotlib-lq0um_ti because there was an issue with the default path (/nonexistent/second-build/.config/matplotlib); 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 = 0.000139952 s +time for choose_chunkdivision = 0.000150204 s Working in 2D dimensions. Computational cell is 16 x 16 x 0 with resolution 10 cylinder, center = (0,0,0) @@ -95761,10 +95801,10 @@ 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 = 0.0247979 s +time for set_epsilon = 0.063201 s ----------- -Meep: using output directory '/tmp/meeptMn8KZ' -creating output file "/tmp/meeptMn8KZ/test_ring-eps-000000.00.h5"... +Meep: using output directory '/tmp/meepou3hw1' +creating output file "/tmp/meepou3hw1/test_ring-eps-000000.00.h5"... Fharminv0:, frequency, imag. freq., Q, |amp|, amplitude, error harminv0:, 0.11809283891634406, -0.0007452502346727954, 79.23032655480687, 0.003456670970555829, -0.003101645043636964-0.0015259004626664333i, 6.11486569740144e-07+0.0i harminv0:, 0.14717195647548612, -0.00021478968139173544, 342.59549975092267, 0.02815407643858081, 0.018767821724729936+0.020986207085088204i, 3.8067841308090843e-07+0.0i @@ -95773,7 +95813,7 @@ ----------- Initializing structure... Halving computational cell along direction y -time for choose_chunkdivision = 0.000123978 s +time for choose_chunkdivision = 0.000135899 s Working in 2D dimensions. Computational cell is 16 x 16 x 0 with resolution 10 cylinder, center = (0,0,0) @@ -95782,7 +95822,7 @@ 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 = 0.0245199 s +time for set_epsilon = 0.028625 s ----------- /usr/lib/python3/dist-packages/scipy/interpolate/_pade.py:63: LinAlgWarning: Ill-conditioned matrix (rcond=1.59663e-20): result may not be accurate. pq = linalg.solve(C, an) @@ -95797,17 +95837,17 @@ AssertionError: -0.003101645043636964 != -0.00304951667301 within 4 places (5.2128370626963825e-05 difference) ---------------------------------------------------------------------- -Ran 2 tests in 11.087s +Ran 2 tests in 23.089s FAILED (failures=1) -Meep: using output directory '/tmp/meeptMn8KZ' +Meep: using output directory '/tmp/meepou3hw1' harminv0:, frequency, imag. freq., Q, |amp|, amplitude, error harminv0:, 0.11809283891634406, -0.0007452502346727954, 79.23032655480687, 0.003456670970555829, -0.003101645043636964-0.0015259004626664333i, 6.11486569740144e-07+0.0i harminv0:, 0.14717195647548612, -0.00021478968139173544, 342.59549975092267, 0.02815407643858081, 0.018767821724729936+0.020986207085088204i, 3.8067841308090843e-07+0.0i harminv0:, 0.17525084853535935, -4.9430552282103865e-05, 1772.6976580717694, 0.007182845877209669, -0.0007884862844628182-0.007139437251980156i, 7.605658690038468e-07+0.0i run 0 finished at t = 400.0 (8000 timesteps) -Elapsed run time = 11.2850 s +Elapsed run time = 23.6139 s FAIL tests/test_ring.py (exit status: 1) FAIL: tests/test_special_kz @@ -95845,7 +95885,7 @@ make[5]: Entering directory '/build/reproducible-path/meep-1.29.0/src' make[6]: Entering directory '/build/reproducible-path/meep-1.29.0/src' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu' - /bin/bash ../libtool --mode=install /usr/bin/install -c libmeep.la '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu' + /bin/sh ../libtool --mode=install /usr/bin/install -c libmeep.la '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu' libtool: install: /usr/bin/install -c .libs/libmeep.so.33.0.0 /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu/libmeep.so.33.0.0 libtool: install: (cd /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu && { ln -s -f libmeep.so.33.0.0 libmeep.so.33 || { rm -f libmeep.so.33 && ln -s libmeep.so.33.0.0 libmeep.so.33; }; }) libtool: install: (cd /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu && { ln -s -f libmeep.so.33.0.0 libmeep.so || { rm -f libmeep.so && ln -s libmeep.so.33.0.0 libmeep.so; }; }) @@ -95875,7 +95915,7 @@ make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/scheme' make[5]: Entering directory '/build/reproducible-path/meep-1.29.0/scheme' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/bin' - /bin/bash ../libtool --mode=install /usr/bin/install -c meep '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/bin' + /bin/sh ../libtool --mode=install /usr/bin/install -c meep '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/bin' libtool: warning: '../src/libmeep.la' has not been installed in '/usr/lib/aarch64-linux-gnu' libtool: install: /usr/bin/install -c .libs/meep /build/reproducible-path/meep-1.29.0/debian/tmp/usr/bin/meep /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/share/meep' @@ -95887,9 +95927,9 @@ make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/libpympb' make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/libpympb' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu' - /bin/bash ../libtool --mode=install /usr/bin/install -c libpympb.la '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu' + /bin/sh ../libtool --mode=install /usr/bin/install -c libpympb.la '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu' libtool: warning: relinking 'libpympb.la' -libtool: install: (cd /build/reproducible-path/meep-1.29.0/libpympb; /bin/bash "/build/reproducible-path/meep-1.29.0/libtool" --tag CXX --mode=relink aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o libpympb.la -rpath /usr/lib/aarch64-linux-gnu libpympb_la-pympb.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -inst-prefix-dir /build/reproducible-path/meep-1.29.0/debian/tmp) +libtool: install: (cd /build/reproducible-path/meep-1.29.0/libpympb; /bin/sh "/build/reproducible-path/meep-1.29.0/libtool" --tag CXX --mode=relink aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o libpympb.la -rpath /usr/lib/aarch64-linux-gnu libpympb_la-pympb.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -inst-prefix-dir /build/reproducible-path/meep-1.29.0/debian/tmp) libtool: relink: aarch64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crti.o /usr/lib/gcc/aarch64-linux-gnu/14/crtbeginS.o .libs/libpympb_la-pympb.o -L/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu -L/usr/lib/aarch64-linux-gnu -lmeep -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/aarch64-linux-gnu/14/crtendS.o /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -mbranch-protection=standard -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -Wl,-soname -Wl,libpympb.so.33 -o .libs/libpympb.so.33.0.0 libtool: install: /usr/bin/install -c .libs/libpympb.so.33.0.0T /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu/libpympb.so.33.0.0 libtool: install: (cd /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu && { ln -s -f libpympb.so.33.0.0 libpympb.so.33 || { rm -f libpympb.so.33 && ln -s libpympb.so.33.0.0 libpympb.so.33; }; }) @@ -95909,9 +95949,9 @@ make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/python' make[5]: Entering directory '/build/reproducible-path/meep-1.29.0/python' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep' - /bin/bash ../libtool --mode=install /usr/bin/install -c _meep.la '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep' + /bin/sh ../libtool --mode=install /usr/bin/install -c _meep.la '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep' libtool: warning: relinking '_meep.la' -libtool: install: (cd /build/reproducible-path/meep-1.29.0/python; /bin/bash "/build/reproducible-path/meep-1.29.0/libtool" --tag CXX --mode=relink aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -module -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o _meep.la -rpath /usr/lib/python3.13/site-packages/meep _meep_la-meep-python.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -inst-prefix-dir /build/reproducible-path/meep-1.29.0/debian/tmp) +libtool: install: (cd /build/reproducible-path/meep-1.29.0/python; /bin/sh "/build/reproducible-path/meep-1.29.0/libtool" --tag CXX --mode=relink aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -module -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o _meep.la -rpath /usr/lib/python3.13/site-packages/meep _meep_la-meep-python.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -inst-prefix-dir /build/reproducible-path/meep-1.29.0/debian/tmp) libtool: relink: aarch64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crti.o /usr/lib/gcc/aarch64-linux-gnu/14/crtbeginS.o .libs/_meep_la-meep-python.o -L/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu -L/usr/lib/aarch64-linux-gnu -lmeep -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/aarch64-linux-gnu/14/crtendS.o /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -mbranch-protection=standard -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -Wl,-soname -Wl,_meep.so.33 -o .libs/_meep.so.33.0.0 libtool: install: /usr/bin/install -c .libs/_meep.so.33.0.0T /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/_meep.so.33.0.0 libtool: install: (cd /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep && { ln -s -f _meep.so.33.0.0 _meep.so.33 || { rm -f _meep.so.33 && ln -s _meep.so.33.0.0 _meep.so.33; }; }) @@ -95938,9 +95978,9 @@ Byte-compiling python modules (more optimized versions) ... __init__.py binary_partition_utils.py chunk_balancer.py geom.py simulation.py source.py timing_measurements.py visualization.py materials.py verbosity_mgr.py /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb' - /bin/bash ../libtool --mode=install /usr/bin/install -c _mpb.la '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb' + /bin/sh ../libtool --mode=install /usr/bin/install -c _mpb.la '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb' libtool: warning: relinking '_mpb.la' -libtool: install: (cd /build/reproducible-path/meep-1.29.0/python; /bin/bash "/build/reproducible-path/meep-1.29.0/libtool" --tag CXX --mode=relink aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -module -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o _mpb.la -rpath /usr/lib/python3.13/site-packages/meep/mpb _mpb_la-mpb-python.lo ../libpympb/libpympb.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -inst-prefix-dir /build/reproducible-path/meep-1.29.0/debian/tmp) +libtool: install: (cd /build/reproducible-path/meep-1.29.0/python; /bin/sh "/build/reproducible-path/meep-1.29.0/libtool" --tag CXX --mode=relink aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -module -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o _mpb.la -rpath /usr/lib/python3.13/site-packages/meep/mpb _mpb_la-mpb-python.lo ../libpympb/libpympb.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -inst-prefix-dir /build/reproducible-path/meep-1.29.0/debian/tmp) libtool: relink: aarch64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crti.o /usr/lib/gcc/aarch64-linux-gnu/14/crtbeginS.o .libs/_mpb_la-mpb-python.o -L/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu -L/usr/lib/aarch64-linux-gnu -lpympb -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/aarch64-linux-gnu/14/crtendS.o /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -mbranch-protection=standard -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -Wl,-soname -Wl,_mpb.so.33 -o .libs/_mpb.so.33.0.0 libtool: install: /usr/bin/install -c .libs/_mpb.so.33.0.0T /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb/_mpb.so.33.0.0 libtool: install: (cd /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb && { ln -s -f _mpb.so.33.0.0 _mpb.so.33 || { rm -f _mpb.so.33 && ln -s _mpb.so.33.0.0 _mpb.so.33; }; }) @@ -96018,10 +96058,10 @@ diversion by libc6 from: /lib/ld-linux-aarch64.so.1 dpkg-shlibdeps: warning: diversions involved - output may be incorrect diversion by libc6 to: /lib/ld-linux-aarch64.so.1.usr-is-merged -dpkg-shlibdeps: warning: debian/python3-meep/usr/lib/python3/dist-packages/meep/mpb/_mpb.so.33.0.0 contains an unresolvable reference to symbol PyType_Modified: it's probably a plugin -dpkg-shlibdeps: warning: 98 other similar warnings have been skipped (use -v to see them all) -dpkg-shlibdeps: warning: debian/python3-meep/usr/lib/python3/dist-packages/meep/_meep.so.33.0.0 contains an unresolvable reference to symbol PyObject_IsTrue: it's probably a plugin +dpkg-shlibdeps: warning: debian/python3-meep/usr/lib/python3/dist-packages/meep/_meep.so.33.0.0 contains an unresolvable reference to symbol _Py_NoneStruct: it's probably a plugin dpkg-shlibdeps: warning: 107 other similar warnings have been skipped (use -v to see them all) +dpkg-shlibdeps: warning: debian/python3-meep/usr/lib/python3/dist-packages/meep/mpb/_mpb.so.33.0.0 contains an unresolvable reference to symbol PyExc_MemoryError: it's probably a plugin +dpkg-shlibdeps: warning: 98 other similar warnings have been skipped (use -v to see them all) dh_numpy3 Possible precedence issue with control flow operator (return) at /usr/bin/dh_numpy3 line 57. dh_numpy3: warning: skipping binary package meep which does not depend on the NumPy C ABI @@ -96034,13 +96074,13 @@ dpkg-gencontrol: warning: package python3-meep: substitution variable ${python3:Depends} unused, but is defined dh_md5sums dh_builddeb -dpkg-deb: building package 'libmeep33-dbgsym' in '../libmeep33-dbgsym_1.29.0-2_arm64.deb'. +dpkg-deb: building package 'meep-dbgsym' in '../meep-dbgsym_1.29.0-2_arm64.deb'. dpkg-deb: building package 'libmeep-dev' in '../libmeep-dev_1.29.0-2_arm64.deb'. dpkg-deb: building package 'meep' in '../meep_1.29.0-2_arm64.deb'. -dpkg-deb: building package 'libmeep33' in '../libmeep33_1.29.0-2_arm64.deb'. -dpkg-deb: building package 'meep-dbgsym' in '../meep-dbgsym_1.29.0-2_arm64.deb'. dpkg-deb: building package 'python3-meep' in '../python3-meep_1.29.0-2_arm64.deb'. dpkg-deb: building package 'python3-meep-dbgsym' in '../python3-meep-dbgsym_1.29.0-2_arm64.deb'. +dpkg-deb: building package 'libmeep33' in '../libmeep33_1.29.0-2_arm64.deb'. +dpkg-deb: building package 'libmeep33-dbgsym' in '../libmeep33-dbgsym_1.29.0-2_arm64.deb'. dpkg-genbuildinfo --build=binary -O../meep_1.29.0-2_arm64.buildinfo dpkg-genchanges --build=binary -O../meep_1.29.0-2_arm64.changes dpkg-genchanges: info: binary-only upload (no source code included) @@ -96048,12 +96088,14 @@ 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/2799272/tmp/hooks/B01_cleanup starting +I: user script /srv/workspace/pbuilder/2799272/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/1692223 and its subdirectories -I: Current time: Mon Jul 28 08:55:00 -12 2025 -I: pbuilder-time-stamp: 1753736100 +I: removing directory /srv/workspace/pbuilder/2799272 and its subdirectories +I: Current time: Mon Aug 31 18:02:52 +14 2026 +I: pbuilder-time-stamp: 1788148972