Diff of the two buildlogs: -- --- b1/build.log 2024-12-02 13:13:02.857754885 +0000 +++ b2/build.log 2024-12-02 14:56:29.312458515 +0000 @@ -1,6 +1,6 @@ I: pbuilder: network access will be disabled during build -I: Current time: Sun Jan 4 06:53:54 -12 2026 -I: pbuilder-time-stamp: 1767552834 +I: Current time: Tue Dec 3 03:13:06 +14 2024 +I: pbuilder-time-stamp: 1733145186 I: Building the build Environment I: extracting base tarball [/var/cache/pbuilder/trixie-reproducible-base.tgz] I: copying local configuration @@ -30,54 +30,86 @@ 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/28423/tmp/hooks/D02_print_environment starting +I: user script /srv/workspace/pbuilder/14487/tmp/hooks/D01_modify_environment starting +debug: Running on ionos12-i386. +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 Dec 2 13:13 /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/14487/tmp/hooks/D01_modify_environment finished +I: user script /srv/workspace/pbuilder/14487/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='i386' - DEBIAN_FRONTEND='noninteractive' - DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=22 ' - DISTRIBUTION='trixie' - HOME='/root' - HOST_ARCH='i386' + 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]="32" [3]="1" [4]="release" [5]="i686-pc-linux-gnu") + BASH_VERSION='5.2.32(1)-release' + BUILDDIR=/build/reproducible-path + BUILDUSERGECOS='second user,second room,second work-phone,second home-phone,second other' + BUILDUSERNAME=pbuilder2 + BUILD_ARCH=i386 + DEBIAN_FRONTEND=noninteractive + DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=10 ' + DIRSTACK=() + DISTRIBUTION=trixie + EUID=0 + FUNCNAME=([0]="Echo" [1]="main") + GROUPS=() + HOME=/root + HOSTNAME=i-capture-the-hostname + HOSTTYPE=i686 + HOST_ARCH=i386 IFS=' ' - INVOCATION_ID='799debbc757641f680d4446f889361bd' - LANG='C' - LANGUAGE='en_US:en' - LC_ALL='C' - LD_LIBRARY_PATH='/usr/lib/libeatmydata' - LD_PRELOAD='libeatmydata.so' - 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='28423' - PS1='# ' - PS2='> ' + INVOCATION_ID=6017d020e06d45a39ba01de39b60930b + LANG=C + LANGUAGE=de_CH:de + LC_ALL=C + LD_LIBRARY_PATH=/usr/lib/libeatmydata + LD_PRELOAD=libeatmydata.so + MACHTYPE=i686-pc-linux-gnu + MAIL=/var/mail/root + OPTERR=1 + OPTIND=1 + OSTYPE=linux-gnu + PATH=/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path + PBCURRENTCOMMANDLINEOPERATION=build + PBUILDER_OPERATION=build + PBUILDER_PKGDATADIR=/usr/share/pbuilder + PBUILDER_PKGLIBDIR=/usr/lib/pbuilder + PBUILDER_SYSCONFDIR=/etc + PIPESTATUS=([0]="0") + POSIXLY_CORRECT=y + PPID=14487 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.vRAizPfV/pbuilderrc_Ohhe --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.vRAizPfV/b1 --logfile b1/build.log meep_1.25.0-4.dsc' - SUDO_GID='112' - SUDO_UID='107' - SUDO_USER='jenkins' - TERM='unknown' - TZ='/usr/share/zoneinfo/Etc/GMT+12' - USER='root' - _='/usr/bin/systemd-run' - http_proxy='http://213.165.73.152:3128' + PWD=/ + SHELL=/bin/bash + SHELLOPTS=braceexpand:errexit:hashall:interactive-comments:posix + SHLVL=3 + SUDO_COMMAND='/usr/bin/timeout -k 24.1h 24h /usr/bin/ionice -c 3 /usr/bin/nice -n 11 /usr/bin/unshare --uts -- /usr/sbin/pbuilder --build --configfile /srv/reproducible-results/rbuild-debian/r-b-build.vRAizPfV/pbuilderrc_EWq9 --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.vRAizPfV/b2 --logfile b2/build.log meep_1.25.0-4.dsc' + SUDO_GID=112 + SUDO_UID=107 + SUDO_USER=jenkins + TERM=unknown + TZ=/usr/share/zoneinfo/Etc/GMT-14 + UID=0 + USER=root + _='I: set' + http_proxy=http://46.16.76.132:3128 I: uname -a - Linux ionos6-i386 6.1.0-28-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.1.119-1 (2024-11-22) x86_64 GNU/Linux + Linux i-capture-the-hostname 6.1.0-28-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.1.119-1 (2024-11-22) x86_64 GNU/Linux I: ls -l /bin - lrwxrwxrwx 1 root root 7 Nov 22 2024 /bin -> usr/bin -I: user script /srv/workspace/pbuilder/28423/tmp/hooks/D02_print_environment finished + lrwxrwxrwx 1 root root 7 Nov 22 14:40 /bin -> usr/bin +I: user script /srv/workspace/pbuilder/14487/tmp/hooks/D02_print_environment finished -> Attempting to satisfy build-dependencies -> Creating pbuilder-satisfydepends-dummy package Package: pbuilder-satisfydepends-dummy @@ -401,7 +433,7 @@ Get: 242 http://deb.debian.org/debian trixie/main i386 python3-setuptools all 74.1.2-2 [736 kB] Get: 243 http://deb.debian.org/debian trixie/main i386 quilt all 0.68-1 [437 kB] Get: 244 http://deb.debian.org/debian trixie/main i386 swig i386 4.2.1-1 [1499 kB] -Fetched 165 MB in 2s (89.1 MB/s) +Fetched 165 MB in 3s (56.8 MB/s) debconf: delaying package configuration, since apt-utils is not installed Selecting previously unselected package libpython3.12-minimal:i386. (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 ... 19950 files and directories currently installed.) @@ -1197,8 +1229,8 @@ Setting up tzdata (2024b-3) ... Current default time zone: 'Etc/UTC' -Local time is now: Sun Jan 4 18:54:31 UTC 2026. -Universal Time is now: Sun Jan 4 18:54:31 UTC 2026. +Local time is now: Mon Dec 2 13:13:54 UTC 2024. +Universal Time is now: Mon Dec 2 13:13:54 UTC 2024. Run 'dpkg-reconfigure tzdata' if you wish to change it. Setting up unicode-data (15.1.0-1) ... @@ -1419,7 +1451,11 @@ Building tag database... -> Finished parsing the build-deps I: Building the package -I: Running cd /build/reproducible-path/meep-1.25.0/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-genchanges -S > ../meep_1.25.0-4_source.changes +I: user script /srv/workspace/pbuilder/14487/tmp/hooks/A99_set_merged_usr starting +Not re-configuring usrmerge for trixie +I: user script /srv/workspace/pbuilder/14487/tmp/hooks/A99_set_merged_usr finished +hostname: Name or service not known +I: Running cd /build/reproducible-path/meep-1.25.0/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" HOME="/nonexistent/second-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" HOME="/nonexistent/second-build" dpkg-genchanges -S > ../meep_1.25.0-4_source.changes dpkg-buildpackage: info: source package meep dpkg-buildpackage: info: source version 1.25.0-4 dpkg-buildpackage: info: source distribution unstable @@ -1685,7 +1721,7 @@ config.status: executing libtool commands make[1]: Leaving directory '/build/reproducible-path/meep-1.25.0' dh_auto_build - make -j22 + make -j10 make[1]: Entering directory '/build/reproducible-path/meep-1.25.0' make all-recursive make[2]: Entering directory '/build/reproducible-path/meep-1.25.0' @@ -1696,7 +1732,7 @@ make[4]: Entering directory '/build/reproducible-path/meep-1.25.0/src' make[4]: warning: jobserver unavailable: using -j1. Add '+' to parent make rule. i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c -o sphere-quad.o sphere-quad.cpp -/bin/bash ../libtool --tag=CXX --mode=link i686-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/i386-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/i686-linux-gnu/14 -L/usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu -L/usr/lib/gcc/i686-linux-gnu/14/../../../../lib -L/lib/i386-linux-gnu -L/lib/../lib -L/usr/lib/i386-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/i686-linux-gnu/14/../../.. -L/usr/lib/i386-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath +/bin/sh ../libtool --tag=CXX --mode=link i686-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/i386-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/i686-linux-gnu/14 -L/usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu -L/usr/lib/gcc/i686-linux-gnu/14/../../../../lib -L/lib/i386-linux-gnu -L/lib/../lib -L/usr/lib/i386-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/i686-linux-gnu/14/../../.. -L/usr/lib/i386-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: i686-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/i386-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/i686-linux-gnu/14 -L/usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu -L/usr/lib/gcc/i686-linux-gnu/14/../../../../lib -L/lib/i386-linux-gnu -L/lib/../lib -L/usr/lib/i386-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/i686-linux-gnu/14/../../.. -L/usr/lib/i386-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath make[4]: Leaving directory '/build/reproducible-path/meep-1.25.0/src' (echo "/* This file was automatically generated --- DO NOT EDIT */"; echo; ../src/sphere_quad) > sphere-quad.h @@ -1704,59 +1740,35 @@ make[4]: Entering directory '/build/reproducible-path/meep-1.25.0/src' Making all in support make[5]: Entering directory '/build/reproducible-path/meep-1.25.0/src/support' -/bin/bash ../../libtool --tag=CC --mode=compile i686-linux-gnu-gcc -DHAVE_CONFIG_H -I. -I../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -c -o mt19937ar.lo mt19937ar.c +/bin/sh ../../libtool --tag=CC --mode=compile i686-linux-gnu-gcc -DHAVE_CONFIG_H -I. -I../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -c -o mt19937ar.lo mt19937ar.c libtool: compile: i686-linux-gnu-gcc -DHAVE_CONFIG_H -I. -I../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -c mt19937ar.c -fPIC -DPIC -o .libs/mt19937ar.o libtool: compile: i686-linux-gnu-gcc -DHAVE_CONFIG_H -I. -I../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -c mt19937ar.c -fPIC -DPIC -o mt19937ar.o >/dev/null 2>&1 -/bin/bash ../../libtool --tag=CC --mode=link i686-linux-gnu-gcc -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/i386-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/i686-linux-gnu/14 -L/usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu -L/usr/lib/gcc/i686-linux-gnu/14/../../../../lib -L/lib/i386-linux-gnu -L/lib/../lib -L/usr/lib/i386-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/i686-linux-gnu/14/../../.. -L/usr/lib/i386-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath +/bin/sh ../../libtool --tag=CC --mode=link i686-linux-gnu-gcc -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/i386-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/i686-linux-gnu/14 -L/usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu -L/usr/lib/gcc/i686-linux-gnu/14/../../../../lib -L/lib/i386-linux-gnu -L/lib/../lib -L/usr/lib/i386-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/i686-linux-gnu/14/../../.. -L/usr/lib/i386-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: i686-linux-gnu-ar cr .libs/libsupport.a .libs/mt19937ar.o libtool: link: i686-linux-gnu-ranlib .libs/libsupport.a libtool: link: ( cd ".libs" && rm -f "libsupport.la" && ln -s "../libsupport.la" "libsupport.la" ) make[5]: Leaving directory '/build/reproducible-path/meep-1.25.0/src/support' make[5]: Entering directory '/build/reproducible-path/meep-1.25.0/src' -/bin/bash ../libtool --tag=CXX --mode=compile i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c -o array_slice.lo array_slice.cpp -/bin/bash ../libtool --tag=CXX --mode=compile i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c -o anisotropic_averaging.lo anisotropic_averaging.cpp -/bin/bash ../libtool --tag=CXX --mode=compile i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c -o bands.lo bands.cpp -/bin/bash ../libtool --tag=CXX --mode=compile i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c -o boundaries.lo boundaries.cpp -/bin/bash ../libtool --tag=CXX --mode=compile i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c -o bicgstab.lo bicgstab.cpp -/bin/bash ../libtool --tag=CXX --mode=compile i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c -o casimir.lo casimir.cpp -/bin/bash ../libtool --tag=CXX --mode=compile i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c -o cw_fields.lo cw_fields.cpp -/bin/bash ../libtool --tag=CXX --mode=compile i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat 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-Werror=format-security -Wall -W -c integrate.cpp -fPIC -DPIC -o .libs/integrate.o dft.cpp:269: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 269 | PLOOP_OVER_IVECS(fc->gv, is, ie, idx) { dft.cpp: In member function 'std::complex meep::dft_chunk::process_dft_component(int, meep::direction*, meep::ivec, meep::ivec, int, meep::h5file*, meep::realnum*, int, std::complex*, void*, void*, int, bool, meep::fields*)': @@ -1770,7 +1782,6 @@ | ~~~~~~~~~~~~ | | | std::vector::size_type {aka unsigned int} -libtool: compile: i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c h5file.cpp -fPIC -DPIC -o h5file.o >/dev/null 2>&1 dft.cpp: In member function 'void meep::fields::output_dft_components(meep::dft_chunk**, int, meep::volume, const char*)': dft.cpp:1325:63: warning: format '%lu' expects argument of type 'long unsigned int', but argument 4 has type 'size_t' {aka 'unsigned int'} [-Wformat=] 1325 | if (!real_array) meep::abort("%s:%i:out of memory(%lu)", __FILE__, __LINE__, array_size); @@ -1778,6 +1789,8 @@ | | | | long unsigned int size_t {aka unsigned int} | %u +libtool: compile: i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c bands.cpp -fPIC -DPIC -o bands.o >/dev/null 2>&1 +libtool: compile: i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c bicgstab.cpp -fPIC -DPIC -o bicgstab.o >/dev/null 2>&1 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-W -c near2far.cpp -fPIC -DPIC -o .libs/near2far.o +libtool: compile: i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c integrate2.cpp -fPIC -DPIC -o integrate2.o >/dev/null 2>&1 monitor.cpp: In member function 'std::complex meep::structure_chunk::get_chi1inv_at_pt(meep::component, meep::direction, int, double) const': monitor.cpp:327:19: warning: 'comp_list' may be used uninitialized [-Wmaybe-uninitialized] 327 | component cc = comp_list[com_it]; @@ -1794,21 +1850,26 @@ monitor.cpp:274:15: note: 'comp_list' declared here 274 | component comp_list[3]; | ^~~~~~~~~ -libtool: compile: i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 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meep::max_to_all(const ivec&)': mympi.cpp:402:7: warning: variable 'in' set but not used [-Wunused-but-set-variable] 402 | int in[5], out[5]; | ^~ +/bin/sh ../libtool --tag=CXX --mode=compile i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c -o sources.lo sources.cpp +libtool: compile: i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c sources.cpp -fPIC -DPIC -o .libs/sources.o mympi.cpp: In function 'void meep::abort(const char*, ...)': mympi.cpp:242:12: warning: ignoring return value of 'int vasprintf(char**, const char*, __gnuc_va_list)' declared with attribute 'warn_unused_result' [-Wunused-result] 242 | vasprintf(&s, fmt, ap); @@ -1817,34 +1878,8 @@ mympi.cpp:686:16: warning: ignoring return value of 'int vasprintf(char**, const char*, __gnuc_va_list)' declared with attribute 'warn_unused_result' [-Wunused-result] 686 | vasprintf(&s, fmt, ap); | ~~~~~~~~~^~~~~~~~~~~~~ -/bin/bash ../libtool --tag=CXX --mode=compile i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c -o multilevel-atom.lo multilevel-atom.cpp -libtool: compile: i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c multilevel-atom.cpp 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meep::grid_volume&) const': -multilevel-atom.cpp:138:53: warning: format '%lu' expects argument of type 'long unsigned int', but argument 4 has type 'size_t' {aka 'unsigned int'} [-Wformat=] - 138 | if (d == NULL) meep::abort("%s:%i:out of memory(%lu)", __FILE__, __LINE__, sz); - | ~~^ ~~ - | | | - | long unsigned int size_t {aka unsigned int} - | %u -/bin/bash ../libtool --tag=CXX --mode=compile i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c -o sources.lo sources.cpp -libtool: compile: i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c sources.cpp 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-I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c time.cpp -fPIC -DPIC -o .libs/time.o +/bin/sh ../libtool --tag=CXX --mode=compile i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c -o stress.lo stress.cpp +libtool: compile: i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c stress.cpp -fPIC -DPIC -o .libs/stress.o 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:82:38: warning: 'meep::src_vol::amp' will be initialized after [-Wreorder] @@ -1912,20 +1943,24 @@ sources.cpp:168:1: warning: when initialized here [-Wreorder] 168 | src_vol::src_vol(component cc, src_time *st, std::vector &&ind, | ^~~~~~~ -libtool: compile: i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c update_eh.cpp -fPIC -DPIC -o .libs/update_eh.o +libtool: compile: i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c random.cpp -fPIC -DPIC -o random.o >/dev/null 2>&1 +/bin/sh ../libtool --tag=CXX --mode=compile i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c -o structure.lo structure.cpp +libtool: compile: i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c structure.cpp -fPIC -DPIC -o .libs/structure.o +libtool: compile: i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c near2far.cpp -fPIC -DPIC -o near2far.o >/dev/null 2>&1 +/bin/sh ../libtool --tag=CXX --mode=compile i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c -o structure_dump.lo structure_dump.cpp +libtool: compile: i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c structure_dump.cpp -fPIC -DPIC -o .libs/structure_dump.o +/bin/sh ../libtool --tag=CXX --mode=compile i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c -o susceptibility.lo susceptibility.cpp +libtool: compile: i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c susceptibility.cpp -fPIC -DPIC -o .libs/susceptibility.o +libtool: compile: i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c step.cpp -fPIC -DPIC -o step.o >/dev/null 2>&1 susceptibility.cpp:228: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 228 | PLOOP_OVER_VOL_OWNED(gv, c, i) { susceptibility.cpp:242: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 242 | PLOOP_OVER_VOL_OWNED(gv, c, i) { susceptibility.cpp:252: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 252 | PLOOP_OVER_VOL_OWNED(gv, c, i) { -libtool: compile: i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c random.cpp -fPIC -DPIC -o random.o >/dev/null 2>&1 -libtool: compile: i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c multilevel-atom.cpp -fPIC -DPIC -o multilevel-atom.o >/dev/null 2>&1 -/bin/bash ../libtool --tag=CXX --mode=compile i686-linux-gnu-g++ 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i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c boundaries.cpp -fPIC -DPIC -o boundaries.o >/dev/null 2>&1 -libtool: compile: i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c dft.cpp -fPIC -DPIC -o dft.o >/dev/null 2>&1 +/bin/sh ../libtool --tag=CXX --mode=compile i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c -o time.lo time.cpp +libtool: compile: i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c time.cpp -fPIC -DPIC -o .libs/time.o +libtool: compile: i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c stress.cpp -fPIC -DPIC -o stress.o >/dev/null 2>&1 susceptibility.cpp: In member function 'virtual void* meep::lorentzian_susceptibility::new_internal_data(meep::realnum* (*)[2], const meep::grid_volume&) const': susceptibility.cpp:116:53: warning: format '%lu' expects argument of type 'long unsigned int', but argument 4 has type 'size_t' {aka 'unsigned int'} [-Wformat=] 116 | if (d == NULL) meep::abort("%s:%i:out of memory(%lu)", __FILE__, __LINE__, sz); @@ -1940,22 +1975,65 @@ | | | | long unsigned int size_t {aka unsigned int} | %u -/bin/bash ../libtool --tag=CXX --mode=compile i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c -o update_pols.lo update_pols.cpp -libtool: compile: i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c stress.cpp -fPIC -DPIC -o stress.o >/dev/null 2>&1 +/bin/sh ../libtool --tag=CXX --mode=compile i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 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-D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c update_eh.cpp -fPIC -DPIC -o .libs/update_eh.o +structure_dump.cpp: In member function 'void meep::structure::dump(const char*, bool)': +structure_dump.cpp:296:46: warning: '_' directive output may be truncated writing 1 byte into a region of size between 0 and 9 [-Wformat-truncation=] + 296 | snprintf(dname, 20, "%c_%d_sigma_%d_%d", ft == 0 ? 'E' : 'H', i, c, d); + | ^ +structure_dump.cpp:296:31: note: using the range [-2147483648, 2147483647] for directive argument + 296 | snprintf(dname, 20, "%c_%d_sigma_%d_%d", ft == 0 ? 'E' : 'H', i, c, d); + | ^~~~~~~~~~~~~~~~~~~ +In file included from /usr/include/stdio.h:970, + from structure_dump.cpp:22: +In function 'int snprintf(char*, size_t, const char*, ...)', + inlined from 'void meep::structure::dump(const char*, bool)' at structure_dump.cpp:296:19: +/usr/include/i386-linux-gnu/bits/stdio2.h:68:35: note: '__builtin___snprintf_chk' output between 14 and 43 bytes into a destination of size 20 + 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, + | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + 69 | __glibc_objsize (__s), __fmt, + | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + 70 | __va_arg_pack ()); + | ~~~~~~~~~~~~~~~~~ +/bin/sh ../libtool --tag=CXX --mode=compile i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c -o mpb.lo mpb.cpp +libtool: compile: i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c mpb.cpp -fPIC -DPIC -o .libs/mpb.o +/bin/sh ../libtool --tag=CXX --mode=compile i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c -o update_pols.lo update_pols.cpp +structure_dump.cpp: In member function 'void meep::structure::load(const char*, bool)': +structure_dump.cpp:748:44: warning: '%d' directive output may be truncated writing between 1 and 2 bytes into a region of size between 1 and 10 [-Wformat-truncation=] + 748 | snprintf(dname, 20, "%c_%d_sigma_%d_%d", ft == 0 ? 'E' : 'H', i, c, d); + | ^~ +structure_dump.cpp:748:31: note: directive argument in the range [0, 19] + 748 | snprintf(dname, 20, "%c_%d_sigma_%d_%d", ft == 0 ? 'E' : 'H', i, c, d); + | ^~~~~~~~~~~~~~~~~~~ +structure_dump.cpp:748:31: note: directive argument in the range [0, 4] +In function 'int snprintf(char*, size_t, const char*, ...)', + inlined from 'void meep::structure::load(const char*, bool)' at structure_dump.cpp:748:19: +/usr/include/i386-linux-gnu/bits/stdio2.h:68:35: note: '__builtin___snprintf_chk' output between 14 and 24 bytes into a destination of size 20 + 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, + | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + 69 | __glibc_objsize (__s), __fmt, + | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + 70 | __va_arg_pack ()); + | ~~~~~~~~~~~~~~~~~ libtool: compile: i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c update_pols.cpp -fPIC -DPIC -o .libs/update_pols.o -/bin/bash ../libtool --tag=CXX --mode=compile i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c -o vec.lo vec.cpp +libtool: compile: i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c susceptibility.cpp -fPIC -DPIC -o susceptibility.o >/dev/null 2>&1 +libtool: compile: i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c time.cpp -fPIC -DPIC -o time.o >/dev/null 2>&1 +libtool: compile: i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c structure_dump.cpp -fPIC -DPIC -o structure_dump.o >/dev/null 2>&1 +/bin/sh ../libtool --tag=CXX --mode=compile i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c -o vec.lo vec.cpp libtool: compile: i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c vec.cpp -fPIC -DPIC -o .libs/vec.o -/bin/bash ../libtool --tag=CXX --mode=compile i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c -o step_generic.lo step_generic.cpp +libtool: compile: i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c update_eh.cpp -fPIC -DPIC -o update_eh.o >/dev/null 2>&1 +/bin/sh ../libtool --tag=CXX --mode=compile i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c -o step_generic.lo step_generic.cpp libtool: compile: i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c step_generic.cpp -fPIC -DPIC -o .libs/step_generic.o -/bin/bash ../libtool --tag=CXX --mode=compile i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c -o meepgeom.lo meepgeom.cpp -libtool: compile: i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c step.cpp -fPIC -DPIC -o step.o >/dev/null 2>&1 +libtool: compile: i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c update_pols.cpp -fPIC -DPIC -o update_pols.o >/dev/null 2>&1 +/bin/sh ../libtool --tag=CXX --mode=compile i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c -o meepgeom.lo meepgeom.cpp step_generic.cpp:91: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 91 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:97: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 97 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:104: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 104 | PLOOP_OVER_IVECS(gv, is, ie, i) { -libtool: compile: i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c meepgeom.cpp -fPIC -DPIC -o .libs/meepgeom.o step_generic.cpp:109: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 109 | PLOOP_OVER_IVECS(gv, is, ie, i) { f[i] -= dtdx * (g1[i + s1] - g1[i]); } step_generic.cpp:118: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] @@ -2034,57 +2112,62 @@ 576 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:583: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 583 | PLOOP_OVER_IVECS(gv, is, ie, i) { f[i] = g[i]; } -/bin/bash ../libtool --tag=CXX --mode=compile i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c -o GDSIIgeom.lo GDSIIgeom.cpp -libtool: compile: i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c GDSIIgeom.cpp -fPIC -DPIC -o .libs/GDSIIgeom.o +libtool: compile: i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c meepgeom.cpp -fPIC -DPIC -o .libs/meepgeom.o meepgeom.cpp:2959: warning: ignoring '#pragma unroll ' [-Wunknown-pragmas] 2959 | #pragma unroll -libtool: compile: i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c step_db.cpp -fPIC -DPIC -o step_db.o >/dev/null 2>&1 -libtool: compile: i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c near2far.cpp -fPIC -DPIC -o near2far.o >/dev/null 2>&1 -structure_dump.cpp: In member function 'void meep::structure::dump(const char*, bool)': -structure_dump.cpp:296:46: warning: '_' directive output may be truncated writing 1 byte into a region of size between 0 and 9 [-Wformat-truncation=] - 296 | snprintf(dname, 20, "%c_%d_sigma_%d_%d", ft == 0 ? 'E' : 'H', i, c, d); - | ^ -structure_dump.cpp:296:31: note: using the range [-2147483648, 2147483647] for directive argument - 296 | snprintf(dname, 20, "%c_%d_sigma_%d_%d", ft == 0 ? 'E' : 'H', i, c, d); - | ^~~~~~~~~~~~~~~~~~~ -In file included from /usr/include/stdio.h:970, - from structure_dump.cpp:22: -In function 'int snprintf(char*, size_t, const char*, ...)', - inlined from 'void meep::structure::dump(const char*, bool)' at structure_dump.cpp:296:19: -/usr/include/i386-linux-gnu/bits/stdio2.h:68:35: note: '__builtin___snprintf_chk' output between 14 and 43 bytes into a destination of size 20 - 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, - | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ - 69 | __glibc_objsize (__s), __fmt, - | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ - 70 | __va_arg_pack ()); - | ~~~~~~~~~~~~~~~~~ -libtool: compile: i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c sources.cpp -fPIC -DPIC -o sources.o >/dev/null 2>&1 -structure_dump.cpp: In member function 'void meep::structure::load(const char*, bool)': -structure_dump.cpp:748:44: warning: '%d' directive output may be truncated writing between 1 and 2 bytes into a region of size between 1 and 10 [-Wformat-truncation=] - 748 | snprintf(dname, 20, "%c_%d_sigma_%d_%d", ft == 0 ? 'E' : 'H', i, c, d); - | ^~ -structure_dump.cpp:748:31: note: directive argument in the range [0, 19] - 748 | snprintf(dname, 20, "%c_%d_sigma_%d_%d", ft == 0 ? 'E' : 'H', i, c, d); - | ^~~~~~~~~~~~~~~~~~~ -structure_dump.cpp:748:31: note: directive argument in the range [0, 4] -In function 'int snprintf(char*, size_t, const char*, ...)', - inlined from 'void meep::structure::load(const char*, bool)' at structure_dump.cpp:748:19: -/usr/include/i386-linux-gnu/bits/stdio2.h:68:35: note: '__builtin___snprintf_chk' output between 14 and 24 bytes into a destination of size 20 - 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, - | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ - 69 | __glibc_objsize (__s), __fmt, - | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ - 70 | __va_arg_pack ()); - | ~~~~~~~~~~~~~~~~~ -/bin/bash ../libtool --tag=CXX --mode=compile i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c -o step_generic_stride1.lo step_generic_stride1.cpp -libtool: compile: i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c time.cpp -fPIC -DPIC -o time.o >/dev/null 2>&1 -libtool: compile: i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c update_pols.cpp -fPIC -DPIC -o update_pols.o >/dev/null 2>&1 -libtool: compile: i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c update_eh.cpp -fPIC -DPIC -o update_eh.o >/dev/null 2>&1 -libtool: compile: i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c step_generic_stride1.cpp -fPIC -DPIC -o .libs/step_generic_stride1.o +/bin/sh ../libtool --tag=CXX --mode=compile i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c -o GDSIIgeom.lo GDSIIgeom.cpp +libtool: compile: i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c GDSIIgeom.cpp -fPIC -DPIC -o .libs/GDSIIgeom.o +/bin/sh ../libtool --tag=CXX --mode=compile i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c -o step_generic_stride1.lo step_generic_stride1.cpp meepgeom.cpp: In copy constructor 'meep_geom::geom_epsilon::geom_epsilon(const meep_geom::geom_epsilon&)': meepgeom.cpp:711:1: warning: base class 'class meep::material_function' should be explicitly initialized in the copy constructor [-Wextra] 711 | geom_epsilon::geom_epsilon(const geom_epsilon &geps1) { | ^~~~~~~~~~~~ +libtool: compile: i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c mpb.cpp -fPIC -DPIC -o mpb.o >/dev/null 2>&1 +libtool: compile: i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c step_generic_stride1.cpp -fPIC -DPIC -o .libs/step_generic_stride1.o +meepgeom.cpp: In function 'std::complex meep_geom::get_material_gradient(const meep::vec&, meep::component, meep::component, std::complex, double, geom_epsilon*, meep::grid_volume&, double, double*, int)': +meepgeom.cpp:2685:46: warning: unused variable 'dA_du' [-Wunused-variable] + 2685 | std::complex row_1[3], row_2[3], dA_du[3]; + | ^~~~~ +meepgeom.cpp: In function 'void meep_geom::material_grids_addgradient(double*, size_t, size_t, std::vector, std::vector, double*, double, meep::grid_volume&, meep::volume&, geom_epsilon*, double)': +meepgeom.cpp:2838:21: warning: comparison of integer expressions of different signedness: 'int' and 'size_t' {aka 'unsigned int'} [-Wsign-compare] + 2838 | for (int i = 0; i < ng * nf; i++) { + | ~~^~~~~~~~~ +meepgeom.cpp:2867:52: warning: format '%ld' expects argument of type 'long int', but argument 2 has type 'std::vector::size_type' {aka 'unsigned int'} [-Wformat=] + 2867 | meep::abort("The number of adjoint chunks (%ld) is not equal to the number of forward chunks " + | ~~^ + | | + | long int + | %d + 2868 | "(%ld).\n", + 2869 | c_adjoint_dft_chunks.size(), c_forward_dft_chunks.size()); + | ~~~~~~~~~~~~~~~~~~~~~~~~~~~ + | | + | std::vector::size_type {aka unsigned int} +meepgeom.cpp:2868:23: warning: format '%ld' expects argument of type 'long int', but argument 3 has type 'std::vector::size_type' {aka 'unsigned int'} [-Wformat=] + 2868 | "(%ld).\n", + | ~~^ + | | + | long int + | %d + 2869 | c_adjoint_dft_chunks.size(), c_forward_dft_chunks.size()); + | ~~~~~~~~~~~~~~~~~~~~~~~~~~~ + | | + | std::vector::size_type {aka unsigned int} +meepgeom.cpp:2895:49: warning: comparison of integer expressions of different signedness: 'int' and 'size_t' {aka 'unsigned int'} [-Wsign-compare] + 2895 | if ((num_f_chunks == 0) || (cur_chunk >= num_f_chunks)) continue; + | ~~~~~~~~~~^~~~~~~~~~~~~~~ +meepgeom.cpp:2962:35: warning: comparison of integer expressions of different signedness: 'ptrdiff_t' {aka 'int'} and 'size_t' {aka 'unsigned int'} [-Wsign-compare] + 2962 | fwd1 = ((fwd1_idx >= fwd_chunk->N) || (fwd1_idx < 0)) + | ~~~~~~~~~^~~~~~~~~~~~~~~ +meepgeom.cpp:2966:35: warning: comparison of integer expressions of different signedness: 'ptrdiff_t' {aka 'int'} and 'size_t' {aka 'unsigned int'} [-Wsign-compare] + 2966 | fwd2 = ((fwd2_idx >= fwd_chunk->N) || (fwd2_idx < 0)) + | ~~~~~~~~~^~~~~~~~~~~~~~~ +meepgeom.cpp:3000:25: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'unsigned int'} [-Wsign-compare] + 3000 | for (int ii = 0; ii < adjoint_dft_chunks[i].size(); ii++) { + | ~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +meepgeom.cpp:2832:88: warning: unused parameter 'where' [-Wunused-parameter] + 2832 | double scalegrad, meep::grid_volume &gv, meep::volume &where, + | ~~~~~~~~~~~~~~^~~~~ step_generic_stride1.cpp:93: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 93 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:93: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] @@ -2211,58 +2294,13 @@ step_generic_stride1.cpp:585: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 585 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { f[i] = g[i]; } step_generic_stride1.cpp:585: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] -meepgeom.cpp: In function 'std::complex meep_geom::get_material_gradient(const meep::vec&, meep::component, meep::component, std::complex, double, geom_epsilon*, meep::grid_volume&, double, double*, int)': -meepgeom.cpp:2685:46: warning: unused variable 'dA_du' [-Wunused-variable] - 2685 | std::complex row_1[3], row_2[3], dA_du[3]; - | ^~~~~ -meepgeom.cpp: In function 'void meep_geom::material_grids_addgradient(double*, size_t, size_t, std::vector, std::vector, double*, double, meep::grid_volume&, meep::volume&, geom_epsilon*, double)': -meepgeom.cpp:2838:21: warning: comparison of integer expressions of different signedness: 'int' and 'size_t' {aka 'unsigned int'} [-Wsign-compare] - 2838 | for (int i = 0; i < ng * nf; i++) { - | ~~^~~~~~~~~ -meepgeom.cpp:2867:52: warning: format '%ld' expects argument of type 'long int', but argument 2 has type 'std::vector::size_type' {aka 'unsigned int'} [-Wformat=] - 2867 | meep::abort("The number of adjoint chunks (%ld) is not equal to the number of forward chunks " - | ~~^ - | | - | long int - | %d - 2868 | "(%ld).\n", - 2869 | c_adjoint_dft_chunks.size(), c_forward_dft_chunks.size()); - | ~~~~~~~~~~~~~~~~~~~~~~~~~~~ - | | - | std::vector::size_type {aka unsigned int} -meepgeom.cpp:2868:23: warning: format '%ld' expects argument of type 'long int', but argument 3 has type 'std::vector::size_type' {aka 'unsigned int'} [-Wformat=] - 2868 | "(%ld).\n", - | ~~^ - | | - | long int - | %d - 2869 | c_adjoint_dft_chunks.size(), c_forward_dft_chunks.size()); - | ~~~~~~~~~~~~~~~~~~~~~~~~~~~ - | | - | std::vector::size_type {aka unsigned int} -meepgeom.cpp:2895:49: warning: comparison of integer expressions of different signedness: 'int' and 'size_t' {aka 'unsigned int'} [-Wsign-compare] - 2895 | if ((num_f_chunks == 0) || (cur_chunk >= num_f_chunks)) continue; - | ~~~~~~~~~~^~~~~~~~~~~~~~~ -meepgeom.cpp:2962:35: warning: comparison of integer expressions of different signedness: 'ptrdiff_t' {aka 'int'} and 'size_t' {aka 'unsigned int'} [-Wsign-compare] - 2962 | fwd1 = ((fwd1_idx >= fwd_chunk->N) || (fwd1_idx < 0)) - | ~~~~~~~~~^~~~~~~~~~~~~~~ -meepgeom.cpp:2966:35: warning: comparison of integer expressions of different signedness: 'ptrdiff_t' {aka 'int'} and 'size_t' {aka 'unsigned int'} [-Wsign-compare] - 2966 | fwd2 = ((fwd2_idx >= fwd_chunk->N) || (fwd2_idx < 0)) - | ~~~~~~~~~^~~~~~~~~~~~~~~ -meepgeom.cpp:3000:25: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'unsigned int'} [-Wsign-compare] - 3000 | for (int ii = 0; ii < adjoint_dft_chunks[i].size(); ii++) { - | ~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -meepgeom.cpp:2832:88: warning: unused parameter 'where' [-Wunused-parameter] - 2832 | double scalegrad, meep::grid_volume &gv, meep::volume &where, - | ~~~~~~~~~~~~~~^~~~~ -libtool: compile: i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c mpb.cpp -fPIC -DPIC -o mpb.o >/dev/null 2>&1 -libtool: compile: i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c susceptibility.cpp -fPIC -DPIC -o susceptibility.o >/dev/null 2>&1 -libtool: compile: i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c structure_dump.cpp -fPIC -DPIC -o structure_dump.o >/dev/null 2>&1 meepgeom.cpp: In function 'std::complex meep_geom::cond_cmp(meep::component, const meep::vec&, double, geom_epsilon*)': meepgeom.cpp:2617:1: warning: control reaches end of non-void function [-Wreturn-type] 2617 | } | ^ +libtool: compile: i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c structure.cpp -fPIC -DPIC -o structure.o >/dev/null 2>&1 libtool: compile: i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c GDSIIgeom.cpp -fPIC -DPIC -o GDSIIgeom.o >/dev/null 2>&1 +libtool: compile: i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -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, @@ -2273,11 +2311,9 @@ 2760 | int kind; | ^~~~ libtool: compile: i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c step_generic.cpp -fPIC -DPIC -o step_generic.o >/dev/null 2>&1 -libtool: compile: i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c vec.cpp -fPIC -DPIC -o vec.o >/dev/null 2>&1 -libtool: compile: i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c structure.cpp -fPIC -DPIC -o structure.o >/dev/null 2>&1 -libtool: compile: i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c step_generic_stride1.cpp -fPIC -DPIC -o step_generic_stride1.o >/dev/null 2>&1 libtool: compile: i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c meepgeom.cpp -fPIC -DPIC -o meepgeom.o >/dev/null 2>&1 -/bin/bash ../libtool --tag=CXX --mode=link i686-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -version-info 30:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/i386-linux-gnu/hdf5/serial -o libmeep.la -rpath /usr/lib/i386-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/i686-linux-gnu/14 -L/usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu -L/usr/lib/gcc/i686-linux-gnu/14/../../../../lib -L/lib/i386-linux-gnu -L/lib/../lib -L/usr/lib/i386-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/i686-linux-gnu/14/../../.. -L/usr/lib/i386-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath +libtool: compile: i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c step_generic_stride1.cpp -fPIC -DPIC -o step_generic_stride1.o >/dev/null 2>&1 +/bin/sh ../libtool --tag=CXX --mode=link i686-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -version-info 30:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/i386-linux-gnu/hdf5/serial -o libmeep.la -rpath /usr/lib/i386-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/i686-linux-gnu/14 -L/usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu -L/usr/lib/gcc/i686-linux-gnu/14/../../../../lib -L/lib/i386-linux-gnu -L/lib/../lib -L/usr/lib/i386-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/i686-linux-gnu/14/../../.. -L/usr/lib/i386-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: i686-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu/crti.o /usr/lib/gcc/i686-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/i686-linux-gnu/14 -L/usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu -L/usr/lib/gcc/i686-linux-gnu/14/../../../../lib -L/lib/i386-linux-gnu -L/lib/../lib -L/usr/lib/i386-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/i686-linux-gnu/14/../../.. -L/usr/lib/i386-linux-gnu/hdf5/serial -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -lfftw3 -lgfortran -lquadmath -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/i686-linux-gnu/14/crtendS.o /usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu/crtn.o -g -O2 -fstack-protector-strong -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/i386-linux-gnu/hdf5/serial -Wl,-soname -Wl,libmeep.so.30 -o .libs/libmeep.so.30.0.0 libtool: link: (cd ".libs" && rm -f "libmeep.so.30" && ln -s "libmeep.so.30.0.0" "libmeep.so.30") libtool: link: (cd ".libs" && rm -f "libmeep.so" && ln -s "libmeep.so.30.0.0" "libmeep.so") @@ -2405,13 +2441,13 @@ meep_wrap.cxx:36145:12: warning: type qualifiers ignored on cast result type [-Wignored-qualifiers] 36145 | arg2 = (meep::component const) scm_to_int(argv[1]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/bin/bash ../libtool --tag=CXX --mode=link i686-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/i386-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/i686-linux-gnu/14 -L/usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu -L/usr/lib/gcc/i686-linux-gnu/14/../../../../lib -L/lib/i386-linux-gnu -L/lib/../lib -L/usr/lib/i386-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/i686-linux-gnu/14/../../.. -L/usr/lib/i386-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath +/bin/sh ../libtool --tag=CXX --mode=link i686-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/i386-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/i686-linux-gnu/14 -L/usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu -L/usr/lib/gcc/i686-linux-gnu/14/../../../../lib -L/lib/i386-linux-gnu -L/lib/../lib -L/usr/lib/i386-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/i686-linux-gnu/14/../../.. -L/usr/lib/i386-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: i686-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/i386-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/i686-linux-gnu/14 -L/usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu -L/usr/lib/gcc/i686-linux-gnu/14/../../../../lib -L/lib/i386-linux-gnu -L/lib/../lib -L/usr/lib/i386-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/i686-linux-gnu/14/../../.. -L/usr/lib/i386-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath make[4]: Leaving directory '/build/reproducible-path/meep-1.25.0/scheme' make[3]: Leaving directory '/build/reproducible-path/meep-1.25.0/scheme' Making all in libpympb make[3]: Entering directory '/build/reproducible-path/meep-1.25.0/libpympb' -/bin/bash ../libtool --tag=CXX --mode=compile i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -Wfatal-errors -I../src -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c -o libpympb_la-pympb.lo `test -f 'pympb.cpp' || echo './'`pympb.cpp +/bin/sh ../libtool --tag=CXX --mode=compile i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -Wfatal-errors -I../src -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c -o libpympb_la-pympb.lo `test -f 'pympb.cpp' || echo './'`pympb.cpp libtool: compile: i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -Wfatal-errors -I../src -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c pympb.cpp -fPIC -DPIC -o .libs/libpympb_la-pympb.o pympb.cpp:30:1: warning: multi-line comment [-Wcomment] 30 | // #define LOOP_XYZ(md) \ @@ -2436,7 +2472,7 @@ 2012 | mpi_allreduce(sq_sum2, sq_sum, 2, mpb_real, SCALAR_MPI_TYPE, MPI_SUM, mpb_comm); | ^~~~~~~~~~~~~ libtool: compile: i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -Wfatal-errors -I../src -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c pympb.cpp -fPIC -DPIC -o libpympb_la-pympb.o >/dev/null 2>&1 -/bin/bash ../libtool --tag=CXX --mode=link i686-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -version-info 30:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/i386-linux-gnu/hdf5/serial -o libpympb.la -rpath /usr/lib/i386-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/i686-linux-gnu/14 -L/usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu -L/usr/lib/gcc/i686-linux-gnu/14/../../../../lib -L/lib/i386-linux-gnu -L/lib/../lib -L/usr/lib/i386-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/i686-linux-gnu/14/../../.. -L/usr/lib/i386-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath +/bin/sh ../libtool --tag=CXX --mode=link i686-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -version-info 30:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/i386-linux-gnu/hdf5/serial -o libpympb.la -rpath /usr/lib/i386-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/i686-linux-gnu/14 -L/usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu -L/usr/lib/gcc/i686-linux-gnu/14/../../../../lib -L/lib/i386-linux-gnu -L/lib/../lib -L/usr/lib/i386-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/i686-linux-gnu/14/../../.. -L/usr/lib/i386-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: i686-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu/crti.o /usr/lib/gcc/i686-linux-gnu/14/crtbeginS.o .libs/libpympb_la-pympb.o -Wl,-rpath -Wl,/build/reproducible-path/meep-1.25.0/src/.libs ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/i686-linux-gnu/14 -L/usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu -L/usr/lib/gcc/i686-linux-gnu/14/../../../../lib -L/lib/i386-linux-gnu -L/lib/../lib -L/usr/lib/i386-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/i686-linux-gnu/14/../../.. -L/usr/lib/i386-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lquadmath -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/i686-linux-gnu/14/crtendS.o /usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu/crtn.o -g -O2 -fstack-protector-strong -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/i386-linux-gnu/hdf5/serial -Wl,-soname -Wl,libpympb.so.30 -o .libs/libpympb.so.30.0.0 libtool: link: (cd ".libs" && rm -f "libpympb.so.30" && ln -s "libpympb.so.30.0.0" "libpympb.so.30") libtool: link: (cd ".libs" && rm -f "libpympb.so" && ln -s "libpympb.so.30.0.0" "libpympb.so") @@ -2462,10 +2498,10 @@ fi make all-am make[4]: Entering directory '/build/reproducible-path/meep-1.25.0/python' -/bin/bash ../libtool --tag=CXX --mode=compile i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -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 i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c -o _mpb_la-mpb-python.lo `test -f 'mpb-python.cxx' || echo './'`mpb-python.cxx -libtool: compile: i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c meep-python.cxx -fPIC -DPIC -o .libs/_meep_la-meep-python.o +/bin/sh ../libtool --tag=CXX --mode=compile i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -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 i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c -o _mpb_la-mpb-python.lo `test -f 'mpb-python.cxx' || echo './'`mpb-python.cxx libtool: compile: i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c mpb-python.cxx -fPIC -DPIC -o .libs/_mpb_la-mpb-python.o +libtool: compile: i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c meep-python.cxx -fPIC -DPIC -o .libs/_meep_la-meep-python.o In file included from mpb-python.cxx:3362: typemap_utils.cpp:115:18: warning: 'PyObject* py_volume_object()' defined but not used [-Wunused-function] 115 | static PyObject *py_volume_object() { @@ -2539,7 +2575,7 @@ 115 | static PyObject *py_volume_object() { | ^~~~~~~~~~~~~~~~ libtool: compile: i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c mpb-python.cxx -fPIC -DPIC -o _mpb_la-mpb-python.o >/dev/null 2>&1 -/bin/bash ../libtool --tag=CXX --mode=link i686-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -module -version-info 30:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/i386-linux-gnu/hdf5/serial -o _mpb.la -rpath /usr/lib/python3.12/site-packages/meep/mpb _mpb_la-mpb-python.lo ../libpympb/libpympb.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/i686-linux-gnu/14 -L/usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu -L/usr/lib/gcc/i686-linux-gnu/14/../../../../lib -L/lib/i386-linux-gnu -L/lib/../lib -L/usr/lib/i386-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/i686-linux-gnu/14/../../.. -L/usr/lib/i386-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath +/bin/sh ../libtool --tag=CXX --mode=link i686-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -module -version-info 30:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/i386-linux-gnu/hdf5/serial -o _mpb.la -rpath /usr/lib/python3.12/site-packages/meep/mpb _mpb_la-mpb-python.lo ../libpympb/libpympb.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/i686-linux-gnu/14 -L/usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu -L/usr/lib/gcc/i686-linux-gnu/14/../../../../lib -L/lib/i386-linux-gnu -L/lib/../lib -L/usr/lib/i386-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/i686-linux-gnu/14/../../.. -L/usr/lib/i386-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: i686-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu/crti.o /usr/lib/gcc/i686-linux-gnu/14/crtbeginS.o .libs/_mpb_la-mpb-python.o -Wl,-rpath -Wl,/build/reproducible-path/meep-1.25.0/libpympb/.libs ../libpympb/.libs/libpympb.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/i686-linux-gnu/14 -L/usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu -L/usr/lib/gcc/i686-linux-gnu/14/../../../../lib -L/lib/i386-linux-gnu -L/lib/../lib -L/usr/lib/i386-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/i686-linux-gnu/14/../../.. -L/usr/lib/i386-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lquadmath -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/i686-linux-gnu/14/crtendS.o /usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu/crtn.o -g -O2 -fstack-protector-strong -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/i386-linux-gnu/hdf5/serial -Wl,-soname -Wl,_mpb.so.30 -o .libs/_mpb.so.30.0.0 libtool: link: (cd ".libs" && rm -f "_mpb.so.30" && ln -s "_mpb.so.30.0.0" "_mpb.so.30") libtool: link: (cd ".libs" && rm -f "_mpb.so" && ln -s "_mpb.so.30.0.0" "_mpb.so") @@ -2547,7 +2583,7 @@ libtool: link: i686-linux-gnu-ranlib .libs/_mpb.a libtool: link: ( cd ".libs" && rm -f "_mpb.la" && ln -s "../_mpb.la" "_mpb.la" ) libtool: compile: i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -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 i686-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -module -version-info 30:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/i386-linux-gnu/hdf5/serial -o _meep.la -rpath /usr/lib/python3.12/site-packages/meep _meep_la-meep-python.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/i686-linux-gnu/14 -L/usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu -L/usr/lib/gcc/i686-linux-gnu/14/../../../../lib -L/lib/i386-linux-gnu -L/lib/../lib -L/usr/lib/i386-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/i686-linux-gnu/14/../../.. -L/usr/lib/i386-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath +/bin/sh ../libtool --tag=CXX --mode=link i686-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -module -version-info 30:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/i386-linux-gnu/hdf5/serial -o _meep.la -rpath /usr/lib/python3.12/site-packages/meep _meep_la-meep-python.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/i686-linux-gnu/14 -L/usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu -L/usr/lib/gcc/i686-linux-gnu/14/../../../../lib -L/lib/i386-linux-gnu -L/lib/../lib -L/usr/lib/i386-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/i686-linux-gnu/14/../../.. -L/usr/lib/i386-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: i686-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu/crti.o /usr/lib/gcc/i686-linux-gnu/14/crtbeginS.o .libs/_meep_la-meep-python.o -Wl,-rpath -Wl,/build/reproducible-path/meep-1.25.0/src/.libs ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/i686-linux-gnu/14 -L/usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu -L/usr/lib/gcc/i686-linux-gnu/14/../../../../lib -L/lib/i386-linux-gnu -L/lib/../lib -L/usr/lib/i386-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/i686-linux-gnu/14/../../.. -L/usr/lib/i386-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lquadmath -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/i686-linux-gnu/14/crtendS.o /usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu/crtn.o -g -O2 -fstack-protector-strong -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/i386-linux-gnu/hdf5/serial -Wl,-soname -Wl,_meep.so.30 -o .libs/_meep.so.30.0.0 libtool: link: (cd ".libs" && rm -f "_meep.so.30" && ln -s "_meep.so.30.0.0" "_meep.so.30") libtool: link: (cd ".libs" && rm -f "_meep.so" && ln -s "_meep.so.30.0.0" "_meep.so") @@ -2602,94 +2638,94 @@ make aniso_disp bench bragg_transmission convergence_cyl_waveguide cylindrical dump_load flux harmonics integrate known_results near2far one_dimensional physical stress_tensor symmetry three_d two_dimensional 2D_convergence h5test pml pw-source-ll ring-ll cyl-ellipsoid-ll absorber-1d-ll array-slice-ll user-defined-material dft-fields gdsII-3d bend-flux-ll array-metadata make[4]: Entering directory '/build/reproducible-path/meep-1.25.0/tests' i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -DDATADIR=\"./\" -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c -o aniso_disp.o aniso_disp.cpp -/bin/bash ../libtool --tag=CXX --mode=link i686-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/i386-linux-gnu/hdf5/serial -o aniso_disp aniso_disp.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/i686-linux-gnu/14 -L/usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu -L/usr/lib/gcc/i686-linux-gnu/14/../../../../lib -L/lib/i386-linux-gnu -L/lib/../lib -L/usr/lib/i386-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/i686-linux-gnu/14/../../.. -L/usr/lib/i386-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath +/bin/sh ../libtool --tag=CXX --mode=link i686-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W 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-fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c -o bragg_transmission.o bragg_transmission.cpp -/bin/bash ../libtool --tag=CXX --mode=link i686-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/i386-linux-gnu/hdf5/serial -o bragg_transmission bragg_transmission.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/i686-linux-gnu/14 -L/usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu -L/usr/lib/gcc/i686-linux-gnu/14/../../../../lib -L/lib/i386-linux-gnu -L/lib/../lib -L/usr/lib/i386-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/i686-linux-gnu/14/../../.. -L/usr/lib/i386-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath +/bin/sh ../libtool --tag=CXX --mode=link i686-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/i386-linux-gnu/hdf5/serial -o bragg_transmission bragg_transmission.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/i686-linux-gnu/14 -L/usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu -L/usr/lib/gcc/i686-linux-gnu/14/../../../../lib -L/lib/i386-linux-gnu -L/lib/../lib -L/usr/lib/i386-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/i686-linux-gnu/14/../../.. -L/usr/lib/i386-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: i686-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/i386-linux-gnu/hdf5/serial -o .libs/bragg_transmission bragg_transmission.o ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/i686-linux-gnu/14 -L/usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu -L/usr/lib/gcc/i686-linux-gnu/14/../../../../lib -L/lib/i386-linux-gnu -L/lib/../lib -L/usr/lib/i386-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/i686-linux-gnu/14/../../.. -L/usr/lib/i386-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -DDATADIR=\"./\" -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c -o convergence_cyl_waveguide.o convergence_cyl_waveguide.cpp -/bin/bash ../libtool --tag=CXX --mode=link i686-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/i386-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/i686-linux-gnu/14 -L/usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu -L/usr/lib/gcc/i686-linux-gnu/14/../../../../lib -L/lib/i386-linux-gnu -L/lib/../lib -L/usr/lib/i386-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/i686-linux-gnu/14/../../.. -L/usr/lib/i386-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath +/bin/sh ../libtool --tag=CXX --mode=link i686-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/i386-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/i686-linux-gnu/14 -L/usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu 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i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -DDATADIR=\"./\" -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c -o cylindrical.o cylindrical.cpp -/bin/bash ../libtool --tag=CXX --mode=link i686-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/i386-linux-gnu/hdf5/serial -o cylindrical cylindrical.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/i686-linux-gnu/14 -L/usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu -L/usr/lib/gcc/i686-linux-gnu/14/../../../../lib -L/lib/i386-linux-gnu -L/lib/../lib -L/usr/lib/i386-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/i686-linux-gnu/14/../../.. 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-Wl,-L/usr/lib/i386-linux-gnu/hdf5/serial -o .libs/cylindrical cylindrical.o ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/i686-linux-gnu/14 -L/usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu -L/usr/lib/gcc/i686-linux-gnu/14/../../../../lib -L/lib/i386-linux-gnu -L/lib/../lib -L/usr/lib/i386-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/i686-linux-gnu/14/../../.. -L/usr/lib/i386-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath i686-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -DDATADIR=\"./\" -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -c -o dump_load.o dump_load.cpp -/bin/bash ../libtool --tag=CXX --mode=link i686-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong 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-L/usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu -L/usr/lib/gcc/i686-linux-gnu/14/../../../../lib -L/lib/i386-linux-gnu -L/lib/../lib -L/usr/lib/i386-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/i686-linux-gnu/14/../../.. -L/usr/lib/i386-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: i686-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/i386-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/i686-linux-gnu/14 -L/usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu -L/usr/lib/gcc/i686-linux-gnu/14/../../../../lib -L/lib/i386-linux-gnu -L/lib/../lib -L/usr/lib/i386-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/i686-linux-gnu/14/../../.. -L/usr/lib/i386-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath make[4]: Leaving directory '/build/reproducible-path/meep-1.25.0/tests' make check-TESTS @@ -2835,1370 +2871,1370 @@ make[2]: *** [Makefile:518: check-recursive] Error 1 make[2]: Leaving directory '/build/reproducible-path/meep-1.25.0' . -./meep-pkgconfig -./codemeta.json -./.travis.yml -./codecov.yml -./.sourcery.yaml -./stamp-h1 -./AUTHORS -./contrib -./contrib/build-meep.sh -./meep.pc -./libtool -./.flake8 +./missing ./.pre-commit-config.yaml -./autom4te.cache -./autom4te.cache/traces.3 -./autom4te.cache/output.0 -./autom4te.cache/traces.0 -./autom4te.cache/output.3 -./autom4te.cache/traces.2 -./autom4te.cache/requests -./autom4te.cache/traces.1 -./autom4te.cache/output.1 -./autom4te.cache/output.2 +./.mailmap +./COPYRIGHT +./mkdocs.yml +./config.guess ./depcomp -./ltmain.sh ./.gitattributes -./.gitignore +./configure ./python -./python/geom.py -./python/mpb.i -./python/test-suite.log -./python/solver.py ./python/visualization.py -./python/simulation.py 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-./python/examples/adjoint_optimization/.ipynb_checkpoints/06-Near2Far-Epigraph-checkpoint.ipynb -./python/examples/adjoint_optimization/02-Waveguide_Bend.ipynb -./python/examples/adjoint_optimization/Fourier-Metalens.ipynb -./python/examples/adjoint_optimization/06-Near2Far-Epigraph.ipynb -./python/examples/adjoint_optimization/01-Introduction.ipynb -./python/examples/adjoint_optimization/Bend Minimax.ipynb -./python/examples/adjoint_optimization/05-Near2Far.ipynb -./python/examples/adjoint_optimization/03-Filtered_Waveguide_Bend.ipynb -./python/examples/adjoint_optimization/04-Splitter.ipynb -./python/examples/adjoint_optimization/Fourier-Bend.ipynb -./python/examples/mpb_honey_rods.py -./python/examples/mpb_tri_rods.py -./python/examples/perturbation_theory.py -./python/examples/multilevel-atom.py -./python/examples/ring-cyl.py -./python/examples/perturbation_theory_2d.py -./python/examples/mode-decomposition.ipynb -./python/examples/bent-waveguide.ipynb -./python/examples/stochastic_emitter.ipynb -./python/examples/chirped_pulse.py -./python/examples/antenna-radiation.ipynb -./python/examples/media -./python/examples/media/hole-wvg-cavity-res.mp4 -./python/examples/media/visualization_normalize.mp4 -./python/examples/media/holey-wvg-bands-0.3-0.8838.mp4 -./python/examples/media/oblique-source-eig.mp4 -./python/examples/media/ring_large.mp4 -./python/examples/media/ring_simple.mp4 -./python/examples/media/straight_waveguide.mp4 -./python/examples/media/oblique-source-normal.mp4 -./python/examples/media/visualization_demo.mp4 -./python/examples/media/holey-wvg-bands-0.25-0.2506.mp4 -./python/examples/media/holey-wvg-bands-0.4-0.1896.mp4 -./python/examples/media/holey-wvg-bands-0.4-0.3175.mp4 -./python/examples/media/hole-wvg-cavity.mp4 -./python/examples/media/visualization_out_plane.mp4 -./python/examples/media/visualization_demo.gif -./python/examples/media/ring_mid.mp4 -./python/examples/media/bent_waveguide.mp4 -./python/examples/media/holey-wvg-bands-0.1-0.4811.mp4 -./python/examples/mpb_sq_rods.py -./python/examples/cavity_arrayslice.py -./python/examples/absorbed_power_density.py -./python/examples/mpb_bragg.py -./python/examples/cherenkov-radiation.py -./python/examples/bend-flux.ipynb -./python/examples/bend-flux.py -./python/examples/solve-cw.ipynb -./python/examples/differential_cross_section.py -./python/examples/ring.ipynb -./python/examples/coupler.py -./python/examples/straight-waveguide.py -./python/examples/ring-mode-overlap.py -./python/examples/diffracted_planewave.py -./python/examples/README.md -./python/examples/mode-decomposition.py -./python/examples/zone_plate.ipynb -./python/examples/stochastic_emitter_line.py -./python/examples/refl-quartz.ipynb -./python/examples/mie_scattering.py -./python/examples/stochastic_emitter_reciprocity.py -./python/examples/binary_grating_n2f.ipynb -./python/examples/oblique-source.py -./python/examples/parallel-wvgs-mpb.py 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+./python/tests/test_multilevel_atom.py +./python/tests/test_physical.log ./python/tests/data +./python/tests/data/tri-rods-e.k11.b08.z.tm-r-m3-n32.h5 ./python/tests/data/tutorial-flux.v.k11.b08.te.h5 -./python/tests/data/eps_input_file_test.h5 -./python/tests/data/convex_prism_vertices.npz -./python/tests/data/bend-flux.gds -./python/tests/data/amp_func_file.h5 +./python/tests/data/tutorial-b.k16.b08.te.h5 +./python/tests/data/cavity_arrayslice_1d.npy +./python/tests/data/diamond-dpwr.k06.b05.h5 ./python/tests/data/bragg-h.k01.b08.y.tm.h5 -./python/tests/data/tri-rods-e.k11.b08.z.tm-r-m3-n32.h5 -./python/tests/data/tutorial-C.k16.b08.te.h5 -./python/tests/data/line-defect-e.k04.b12.z.tm.h5 -./python/tests/data/tri-rods-e.k11.b08.z.tm.h5 -./python/tests/data/converted-tri-rods-e.k11.b08.tm.h5 ./python/tests/data/tutorial-te-eigenvectors-3-3.h5 -./python/tests/data/nonconvex_prism_vertices2.npz -./python/tests/data/tutorial-b.k16.b08.te.h5 -./python/tests/data/tutorial-e.k16.b08.z.tm.h5 -./python/tests/data/tutorial-te-eigenvectors-8-1.h5 -./python/tests/data/cavity_arrayslice_2d.npy -./python/tests/data/tutorial-d.k16.b02.te.h5 +./python/tests/data/tutorial-d.k01.b02.te.h5 +./python/tests/data/cavity-farfield-4-freqs.h5 +./python/tests/data/tri-rods-epsilon-r-m3-n32.h5 ./python/tests/data/tutorial-mu.h5 -./python/tests/data/tutorial-e.k16.b08.te.h5 +./python/tests/data/nonconvex_prism_vertices1.npz +./python/tests/data/nonconvex_prism_vertices2.npz ./python/tests/data/hole-slab-h.k01.b09.z.zeven.h5 -./python/tests/data/cavity-farfield.h5 ./python/tests/data/tutorial-tot.rpwr.k16.b08.te.h5 -./python/tests/data/tutorial-h.k16.b08.te.h5 -./python/tests/data/strip-flux.v.k01.b04.x.h5 -./python/tests/data/tutorial-d.k16.b08.te.h5 -./python/tests/data/tutorial-d.k01.b02.te.h5 +./python/tests/data/tri-rods-e.k11.b08.z.tm.h5 +./python/tests/data/line-defect-e.k04.b12.z.tm.h5 +./python/tests/data/tutorial-te-eigenvectors-8-1.h5 +./python/tests/data/tutorial-epsilon.h5 +./python/tests/data/nonconvex_prism_vertices3.npz +./python/tests/data/tutorial-e.k16.b08.te.h5 +./python/tests/data/bend-flux.gds ./python/tests/data/subpixel_avg-epsilon.h5 -./python/tests/data/nonconvex_prism_vertices1.npz -./python/tests/data/cavity-farfield-4-freqs.h5 +./python/tests/data/tutorial-d.k16.b02.te.h5 +./python/tests/data/cavity_arrayslice_2d.npy ./python/tests/data/spiral.gds -./python/tests/data/cavity_arrayslice_1d.npy +./python/tests/data/cavity-farfield.h5 +./python/tests/data/tutorial-d.k16.b08.te.h5 +./python/tests/data/converted-tri-rods-e.k11.b08.tm.h5 +./python/tests/data/strip-flux.v.k01.b04.x.h5 +./python/tests/data/tutorial-C.k16.b08.te.h5 +./python/tests/data/eps_input_file_test.h5 +./python/tests/data/convex_prism_vertices.npz +./python/tests/data/tutorial-e.k16.b08.z.tm.h5 ./python/tests/data/converted-diamond-dpwr.k06.b05.h5 +./python/tests/data/amp_func_file.h5 +./python/tests/data/tutorial-h.k16.b08.te.h5 ./python/tests/data/tutorial-te-eigenvectors.h5 -./python/tests/data/diamond-dpwr.k06.b05.h5 -./python/tests/data/tutorial-epsilon.h5 -./python/tests/data/nonconvex_prism_vertices3.npz -./python/tests/data/tri-rods-epsilon-r-m3-n32.h5 -./python/tests/utils.py -./python/tests/test_chunks.trs -./python/tests/test_source.log -./python/tests/test_diffracted_planewave.log -./python/tests/test_chunk_balancer.trs -./python/tests/test_divide_mpi_processes.py -./python/tests/test_oblique_source.log -./python/tests/test_pw_source.log -./python/tests/test_field_functions.py -./python/tests/test_bend_flux.py -./python/tests/test_holey_wvg_cavity.log -./python/tests/__pycache__ -./python/tests/__pycache__/utils.cpython-312.pyc -./python/tests/test_absorber_1d.py ./python/tests/test_pw_source.trs -./python/tests/test_holey_wvg_cavity.trs -./python/tests/test_fragment_stats.trs -./python/tests/test_multilevel_atom.trs -./python/tests/test_prism.trs -./python/tests/test_visualization.py -./python/tests/test_adjoint_cyl.log -./python/tests/test_array_metadata.log -./python/tests/test_array_metadata.trs -./python/tests/test_geom.log -./python/tests/test_timing_measurements.trs -./python/tests/test_dump_load.log -./python/tests/test_antenna_radiation.py -./python/tests/test_cavity_farfield.log -./python/tests/test_field_functions.log -./python/tests/test_adjoint_jax.trs -./python/tests/test_physical.log -./python/tests/test_binary_grating.py -./python/tests/test_holey_wvg_bands.py -./python/tests/test_material_dispersion.py -./python/tests/test_get_point.log -./python/tests/test_integrated_source.log -./python/tests/test_field_functions.trs -./python/tests/test_adjoint_cyl.trs -./python/tests/test_get_epsilon_grid.log -./python/tests/test_simulation.py -./python/tests/test_special_kz.py -./python/tests/test_adjoint_jax.log -./python/tests/test_kdom.trs -./python/tests/test_user_defined_material.log -./python/tests/test_gaussianbeam.log -./python/tests/test_pw_source.py -./python/tests/test_cavity_arrayslice.trs -./python/tests/test_cavity_arrayslice.py -./python/tests/test_materials_library.log -./python/tests/test_binary_grating.log -./python/tests/test_get_epsilon_grid.trs -./python/tests/test_simulation.log -./python/tests/test_ldos.trs -./python/tests/test_kdom.log -./python/tests/test_absorber_1d.trs -./python/tests/test_faraday_rotation.py -./python/tests/test_prism.log -./python/tests/test_absorber_1d.log -./python/tests/test_timing_measurements.py -./python/tests/test_binary_grating.trs -./python/tests/test_dft_fields.py -./python/tests/test_get_epsilon_grid.py -./python/tests/test_material_grid.trs -./python/tests/test_oblique_source.trs -./python/tests/test_n2f_periodic.log -./python/tests/test_mpb.py +./python/tests/test_cavity_farfield.trs +./python/tests/test_dft_energy.py +./python/tests/test_mpb.log +./python/tests/test_conductivity.trs ./python/tests/test_fragment_stats.log +./python/tests/test_absorber_1d.py +./python/tests/test_force.py +./python/tests/test_pw_source.py +./python/tests/test_cyl_ellipsoid.trs +./python/tests/test_diffracted_planewave.py +./python/tests/test_binary_partition_utils.log +./python/tests/test_physical.py ./python/tests/test_adjoint_utils.py -./python/tests/test_get_point.trs -./python/tests/test_material_grid.py -./python/tests/test_get_point.py -./python/tests/test_adjoint_solver.log -./python/tests/test_cyl_ellipsoid.log +./python/tests/test_dump_load.trs ./python/tests/test_ldos.log +./python/tests/test_gaussianbeam.log +./python/tests/test_special_kz.trs +./python/tests/test_materials_library.log +./python/tests/test_adjoint_cyl.log +./python/tests/test_dft_fields.trs +./python/tests/test_adjoint_jax.log +./python/tests/test_refl_angular.log +./python/tests/test_holey_wvg_cavity.log +./python/tests/test_geom.trs +./python/tests/test_cyl_ellipsoid.py +./python/tests/test_dispersive_eigenmode.trs +./python/tests/test_material_dispersion.py +./python/tests/test_holey_wvg_bands.log +./python/tests/test_adjoint_utils.log +./python/tests/test_chunk_layout.py ./python/tests/test_n2f_periodic.py -./python/tests/test_mpb.log -./python/tests/test_gaussianbeam.py +./python/tests/test_bend_flux.py +./python/tests/test_ldos.py +./python/tests/test_materials_library.py +./python/tests/test_refl_angular.py +./python/tests/test_get_point.trs +./python/tests/test_verbosity_mgr.py +./python/tests/test_divide_mpi_processes.py +./python/tests/test_source.py +./python/tests/test_force.trs +./python/tests/test_n2f_periodic.trs +./python/tests/test_dispersive_eigenmode.py +./python/tests/test_cavity_farfield.py +./python/tests/test_physical.trs +./python/tests/test_binary_partition_utils.py +./python/tests/test_simulation.trs +./python/tests/test_visualization.log +./python/tests/test_absorber_1d.log +./python/tests/test_array_metadata.py +./python/tests/test_kdom.log +./python/tests/test_diffracted_planewave.log +./python/tests/test_field_functions.py +./python/tests/test_3rd_harm_1d.log +./python/tests/test_adjoint_solver.trs +./python/tests/test_get_point.log +./python/tests/test_get_epsilon_grid.py +./python/tests/test_medium_evaluations.py ./python/tests/test_antenna_radiation.log -./python/tests/test_divide_mpi_processes.trs -./python/tests/test_cyl_ellipsoid.trs +./python/tests/test_bend_flux.log +./python/tests/test_wvg_src.py +./python/tests/test_prism.trs +./python/tests/test_gaussianbeam.py ./python/tests/test_material_dispersion.trs -./python/tests/test_divide_mpi_processes.log -./python/tests/test_eigfreq.trs -./python/tests/test_3rd_harm_1d.log +./python/tests/test_materials_library.trs +./python/tests/test_eigfreq.py +./python/tests/test_get_epsilon_grid.trs +./python/tests/test_wvg_src.trs +./python/tests/test_material_grid.trs +./python/tests/test_dft_energy.trs ./python/tests/test_chunks.log -./python/tests/test_adjoint_cyl.py -./python/tests/test_source.py -./python/tests/test_special_kz.log -./python/tests/test_holey_wvg_bands.trs -./python/tests/test_prism.py +./python/tests/test_adjoint_jax.trs +./python/tests/test_dump_load.py +./python/tests/test_dump_load.log +./python/tests/test_3rd_harm_1d.trs +./python/tests/utils.py ./python/tests/test_medium_evaluations.log -./python/tests/test_visualization.trs -./python/tests/test_kdom.py -./python/tests/test_diffracted_planewave.trs -./python/tests/test_physical.py -./python/tests/test_array_metadata.py -./python/tests/test_mode_decomposition.py -./python/tests/test_ring_cyl.py -./python/tests/test_binary_partition_utils.log -./python/tests/test_integrated_source.trs +./python/tests/test_ring_cyl.trs ./python/tests/test_wvg_src.log -./python/tests/test_cavity_arrayslice.log -./python/tests/test_mode_coeffs.trs -./python/tests/test_materials_library.trs -./python/tests/test_refl_angular.log -./python/tests/test_force.log +./python/tests/test_mode_decomposition.log +./python/tests/test_mpb.py +./python/tests/test_dft_fields.py +./python/tests/test_prism.log +./python/tests/test_dft_fields.log +./python/tests/__pycache__ +./python/tests/__pycache__/utils.cpython-312.pyc +./python/tests/test_field_functions.log +./python/tests/test_material_grid.py +./python/tests/test_antenna_radiation.trs +./python/tests/test_ring.py +./python/tests/test_integrated_source.trs +./python/tests/test_user_defined_material.log ./python/tests/test_binary_partition_utils.trs -./python/tests/test_gaussianbeam.trs -./python/tests/test_physical.trs -./python/tests/test_multilevel_atom.py -./python/tests/test_dft_fields.trs +./python/tests/test_holey_wvg_bands.py +./python/tests/test_chunk_balancer.log +./python/tests/test_pw_source.log +./python/tests/test_visualization.py ./python/tests/test_chunk_balancer.py +./python/tests/test_simulation.log +./python/tests/test_refl_angular.trs +./python/tests/test_adjoint_jax.py +./python/tests/test_ring_cyl.log +./python/tests/test_mpb.trs +./python/tests/test_oblique_source.log +./python/tests/test_ring.trs +./python/tests/test_diffracted_planewave.trs +./python/tests/test_chunk_balancer.trs +./python/tests/test_binary_grating.trs +./python/tests/test_visualization.trs +./python/tests/test_get_epsilon_grid.log ./python/tests/test_dispersive_eigenmode.log -./python/tests/test_cavity_farfield.py -./python/tests/test_ring_cyl.trs -./python/tests/test_special_kz.trs -./python/tests/test_dispersive_eigenmode.py -./python/tests/test_cavity_farfield.trs -./python/tests/test_adjoint_solver.py -./python/tests/test_mode_decomposition.log -./python/tests/test_visualization.log -./python/tests/test_timing_measurements.log +./python/tests/test_timing_measurements.trs +./python/tests/test_eigfreq.trs ./python/tests/test_multilevel_atom.log -./python/tests/test_medium_evaluations.trs -./python/tests/test_conductivity.trs -./python/tests/test_integrated_source.py -./python/tests/test_adjoint_solver.trs -./python/tests/test_faraday_rotation.trs -./python/tests/test_chunk_layout.log -./python/tests/test_dft_energy.log -./python/tests/test_force.trs -./python/tests/test_ldos.py -./python/requirements.txt -./python/_meep_la-meep-python.o -./python/_mpb_la-mpb-python.lo -./python/mpb.py -./python/__init__.py -./python/Makefile +./python/tests/test_multilevel_atom.trs +./python/tests/test_mode_coeffs.trs +./python/tests/test_binary_grating.py +./python/tests/test_material_grid.log +./python/tests/test_holey_wvg_bands.trs +./python/tests/test_adjoint_solver.log +./python/tests/test_chunks.py ./python/binary_partition_utils.py +./python/examples +./python/examples/refl-angular.ipynb +./python/examples/bend-flux.ipynb +./python/examples/solve-cw.ipynb +./python/examples/coupler.gds +./python/examples/gaussian-beam.py +./python/examples/wvg-src.py +./python/examples/material-dispersion.py +./python/examples/coupler.py +./python/examples/ring_gds.py +./python/examples/binary_grating_n2f.ipynb +./python/examples/faraday-rotation.py +./python/examples/binary_grating.ipynb +./python/examples/media +./python/examples/media/visualization_demo.mp4 +./python/examples/media/oblique-source-eig.mp4 +./python/examples/media/holey-wvg-bands-0.4-0.1896.mp4 +./python/examples/media/holey-wvg-bands-0.3-0.8838.mp4 +./python/examples/media/ring_large.mp4 +./python/examples/media/oblique-source-normal.mp4 +./python/examples/media/bent_waveguide.mp4 +./python/examples/media/visualization_normalize.mp4 +./python/examples/media/holey-wvg-bands-0.1-0.4811.mp4 +./python/examples/media/hole-wvg-cavity-res.mp4 +./python/examples/media/straight_waveguide.mp4 +./python/examples/media/ring_mid.mp4 +./python/examples/media/ring_simple.mp4 +./python/examples/media/holey-wvg-bands-0.4-0.3175.mp4 +./python/examples/media/hole-wvg-cavity.mp4 +./python/examples/media/holey-wvg-bands-0.25-0.2506.mp4 +./python/examples/media/visualization_out_plane.mp4 +./python/examples/media/visualization_demo.gif +./python/examples/refl-quartz.ipynb +./python/examples/mpb_hole_slab.py +./python/examples/mode-decomposition.py +./python/examples/refl-angular.py +./python/examples/ring.py +./python/examples/differential_cross_section.ipynb +./python/examples/binary_grating_oblique.ipynb +./python/examples/mie_scattering.ipynb +./python/examples/finite_grating.py +./python/examples/holey-wvg-bands.py +./python/examples/stochastic_emitter_reciprocity.py +./python/examples/README.md +./python/examples/cavity-farfield.ipynb +./python/examples/3rd-harm-1d.py +./python/examples/holey-wvg-bands.ipynb +./python/examples/cyl-ellipsoid.py +./python/examples/coupler.ipynb +./python/examples/solve-cw.py +./python/examples/mpb_tutorial.py +./python/examples/antenna-radiation.py +./python/examples/binary_grating_n2f.py +./python/examples/mpb_sq_rods.py +./python/examples/ring-cyl.py +./python/examples/binary_grating_phasemap.ipynb +./python/examples/planar_cavity_ldos.py +./python/examples/differential_cross_section.py +./python/examples/perturbation_theory.ipynb +./python/examples/zone_plate.py +./python/examples/oblique-planewave.py +./python/examples/mode-decomposition.ipynb +./python/examples/antenna-radiation.ipynb +./python/examples/mpb_diamond.py +./python/examples/refl-quartz.py +./python/examples/straight-waveguide.py +./python/examples/binary_grating_phasemap.py +./python/examples/pw-source.py +./python/examples/antenna_pec_ground_plane.py +./python/examples/stochastic_emitter_line.py +./python/examples/polarization_grating.ipynb +./python/examples/oblique-source.py +./python/examples/multilevel-atom.py +./python/examples/finite_grating.ipynb +./python/examples/stochastic_emitter.ipynb +./python/examples/holey-wvg-cavity.ipynb +./python/examples/zone_plate.ipynb +./python/examples/bent-waveguide.ipynb +./python/examples/bent-waveguide.py +./python/examples/diffracted_planewave.py +./python/examples/binary_grating.py +./python/examples/straight-waveguide.ipynb +./python/examples/holey-wvg-cavity.py +./python/examples/binary_grating_oblique.py +./python/examples/eps_fit_lorentzian.py +./python/examples/oblique-source.ipynb +./python/examples/polarization_grating.py +./python/examples/grating2d_triangular_lattice.py +./python/examples/mpb_tri_rods.py +./python/examples/parallel-wvgs-force.py +./python/examples/cavity_arrayslice.py +./python/examples/chirped_pulse.py +./python/examples/stochastic_emitter.py +./python/examples/mpb_data_analysis.py +./python/examples/refl-angular-kz2d.py +./python/examples/mpb_strip.py +./python/examples/adjoint_optimization +./python/examples/adjoint_optimization/Bend Minimax.ipynb +./python/examples/adjoint_optimization/.ipynb_checkpoints +./python/examples/adjoint_optimization/.ipynb_checkpoints/04-Splitter-checkpoint.ipynb +./python/examples/adjoint_optimization/.ipynb_checkpoints/01-Introduction-checkpoint.ipynb +./python/examples/adjoint_optimization/.ipynb_checkpoints/03-Filtered_Waveguide_Bend-checkpoint.ipynb +./python/examples/adjoint_optimization/.ipynb_checkpoints/02-Waveguide_Bend-checkpoint.ipynb +./python/examples/adjoint_optimization/.ipynb_checkpoints/06-Near2Far-Epigraph-checkpoint.ipynb +./python/examples/adjoint_optimization/.ipynb_checkpoints/05-Near2Far-checkpoint.ipynb +./python/examples/adjoint_optimization/.ipynb_checkpoints/Bend Minimax-checkpoint.ipynb +./python/examples/adjoint_optimization/06-Near2Far-Epigraph.ipynb +./python/examples/adjoint_optimization/Fourier-Metalens.ipynb +./python/examples/adjoint_optimization/01-Introduction.ipynb +./python/examples/adjoint_optimization/03-Filtered_Waveguide_Bend.ipynb +./python/examples/adjoint_optimization/05-Near2Far.ipynb +./python/examples/adjoint_optimization/02-Waveguide_Bend.ipynb +./python/examples/adjoint_optimization/Fourier-Bend.ipynb +./python/examples/adjoint_optimization/04-Splitter.ipynb +./python/examples/metasurface_lens.py +./python/examples/perturbation_theory_2d.py +./python/examples/absorbed_power_density.ipynb +./python/examples/parallel-wvgs-force.ipynb +./python/examples/mpb_line_defect.py +./python/examples/metal-cavity-ldos.py +./python/examples/cherenkov-radiation.py +./python/examples/cylinder_cross_section.py +./python/examples/metasurface_lens.ipynb +./python/examples/mpb_honey_rods.py +./python/examples/__pycache__ +./python/examples/__pycache__/mpb_sq_rods.cpython-312.pyc +./python/examples/__pycache__/mpb_strip.cpython-312.pyc +./python/examples/__pycache__/mpb_tri_rods.cpython-312.pyc +./python/examples/__pycache__/mpb_honey_rods.cpython-312.pyc +./python/examples/__pycache__/mpb_bragg.cpython-312.pyc +./python/examples/__pycache__/mpb_line_defect.cpython-312.pyc +./python/examples/__pycache__/mpb_diamond.cpython-312.pyc +./python/examples/__pycache__/mpb_tri_holes.cpython-312.pyc +./python/examples/__pycache__/mpb_bragg_sine.cpython-312.pyc 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+./src/fields_dump.o +./src/step_generic.cpp +./src/meepgeom.cpp +./src/step_db.cpp +./src/dft.lo +./src/integrate.cpp +./src/monitor.lo +./src/time.cpp +./src/anisotropic_averaging.o +./src/structure_dump.o +./src/step_db.lo ./src/array_slice.o -./src/cw_fields.lo -./src/dft.cpp +./src/step_generic_stride1.o +./src/bicgstab.hpp +./src/random.o ./src/support -./src/support/mt19937ar.o -./src/support/Makefile.am -./src/support/mt19937ar.c -./src/support/meep_mt.h ./src/support/Makefile.in +./src/support/Makefile.am +./src/support/mt19937ar.o ./src/support/libsupport.la +./src/support/mt19937ar.c ./src/support/mt19937ar.lo ./src/support/Makefile +./src/support/meep_mt.h ./src/support/.libs -./src/support/.libs/mt19937ar.o ./src/support/.libs/libsupport.a +./src/support/.libs/mt19937ar.o ./src/support/.libs/libsupport.la -./src/integrate.lo -./src/dft_ldos.o -./src/vec.cpp -./src/step.lo -./src/step_generic.lo -./src/h5fields.lo -./src/near2far.cpp -./src/update_pols.o -./src/structure_dump.lo -./src/array_slice.lo ./src/output_directory.lo -./src/fields.o -./src/sphere-quad.cpp -./src/stress.cpp -./src/initialize.lo -./src/anisotropic_averaging.cpp +./src/bands.cpp ./src/initialize.cpp -./src/loop_in_chunks.cpp -./src/h5file.cpp -./src/step_db.o -./src/mympi.lo -./src/structure_dump.o -./src/material_data.hpp -./src/step_db.lo -./src/h5file.o -./src/integrate.o -./src/multilevel-atom.o -./src/integrate2.cpp -./src/update_pols.lo -./src/fields_dump.o -./src/meep_internals.hpp -./src/update_eh.lo -./src/bicgstab.hpp -./src/material_data.o -./src/GDSIIgeom.lo -./src/loop_in_chunks.o -./src/bands.o +./src/step_generic.lo ./src/random.cpp -./src/structure.lo ./src/boundaries.cpp -./src/random.lo -./src/multilevel-atom.lo -./src/multilevel-atom.cpp -./src/mpb.lo -./src/structure.o -./src/Makefile.am -./src/h5fields.o -./src/integrate2.o -./src/structure_dump.cpp -./src/bicgstab.cpp -./src/monitor.o +./src/h5fields.cpp ./src/structure.cpp -./src/mpb.cpp -./src/cw_fields.cpp -./src/stress.o -./src/array_slice.cpp -./src/stress.lo -./src/casimir.lo -./src/step.cpp -./src/fix_boundary_sources.cpp -./src/energy_and_flux.o +./src/multilevel-atom.lo ./src/loop_in_chunks.lo -./src/random.o -./src/monitor.lo -./src/step_generic_stride1.lo -./src/step_generic.cpp -./src/fix_boundary_sources.lo -./src/sources.cpp -./src/energy_and_flux.lo -./src/GDSIIgeom.o -./src/susceptibility.cpp -./src/Makefile.in -./src/cw_fields.o -./src/meepgeom.lo -./src/time.cpp +./src/monitor.cpp +./src/integrate2.lo +./src/fields_dump.cpp +./src/mympi.o +./src/structure.lo ./src/dft.o -./src/libmeep.la -./src/material_data.cpp -./src/sources.lo -./src/output_directory.cpp -./src/fields_dump.lo -./src/output_directory.o -./src/sphere_quad -./src/susceptibility.o -./src/casimir.cpp -./src/casimir.o -./src/material_data.lo -./src/near2far.lo +./src/vec.cpp +./src/sphere-quad.h +./src/initialize.o +./src/cw_fields.cpp +./src/h5fields.o +./src/cw_fields.o +./src/loop_in_chunks.o +./src/meep.hpp +./src/dft_ldos.cpp +./src/structure.o ./src/meep +./src/meep/meep-config.h.in ./src/meep/mympi.hpp ./src/meep/meep-config.h ./src/meep/vec.hpp -./src/meep/meep-config.h.in -./src/initialize.o ./src/boundaries.o -./src/mympi.cpp -./src/bands.cpp -./src/step_generic.o +./src/mpb.cpp ./src/adjust_verbosity.hpp -./src/dft.lo -./src/meepgeom.hpp -./src/integrate2.lo -./src/sphere-quad.h -./src/bands.lo -./src/susceptibility.lo -./src/step_generic_stride1.cpp -./src/update_eh.cpp -./src/update_eh.o -./src/time.o -./src/dft_ldos.lo -./src/meep.hpp ./src/near2far.o -./src/integrate.cpp -./src/vec.lo -./src/monitor.cpp -./src/meepgeom.o -./src/fields.lo -./src/meepgeom.cpp +./src/sphere_quad +./src/near2far.lo +./src/mpb.lo +./src/stress.cpp ./src/sources.o -./src/Makefile -./src/step.o -./src/sphere-quad.o +./src/multilevel-atom.cpp +./src/h5file.o ./src/update_pols.cpp -./src/step_generic_stride1.o -./src/step_db.cpp -./src/mympi.o -./src/time.lo -./src/vec.o +./src/susceptibility.o +./src/fields.cpp +./src/dft_ldos.lo ./src/anisotropic_averaging.lo -./src/fix_boundary_sources.o -./src/bicgstab.o -./src/h5fields.cpp -./src/fields_dump.cpp -./src/boundaries.lo -./src/bicgstab.lo -./src/GDSIIgeom.cpp +./src/meep_internals.hpp +./src/GDSIIgeom.lo +./src/array_slice.cpp +./src/libmeep.la +./src/bands.lo +./src/fix_boundary_sources.cpp +./src/integrate.o +./src/multilevel-atom.o +./src/mympi.lo +./src/random.lo +./src/energy_and_flux.o +./src/step.o +./src/material_data.o +./src/sphere-quad.cpp +./src/Makefile +./src/bands.o +./src/vec.o +./src/stress.lo +./src/vec.lo +./src/sphere-quad.o ./src/.libs -./src/.libs/libmeep.so.30 -./src/.libs/anisotropic_averaging.o -./src/.libs/mpb.o -./src/.libs/array_slice.o -./src/.libs/libmeep.lai ./src/.libs/dft_ldos.o -./src/.libs/libmeep.so +./src/.libs/libmeep.so.30.0.0 +./src/.libs/step_generic.o +./src/.libs/fix_boundary_sources.o +./src/.libs/integrate2.o +./src/.libs/output_directory.o +./src/.libs/libmeep.a +./src/.libs/monitor.o +./src/.libs/casimir.o ./src/.libs/update_pols.o -./src/.libs/fields.o +./src/.libs/meepgeom.o ./src/.libs/step_db.o -./src/.libs/structure_dump.o -./src/.libs/h5file.o -./src/.libs/integrate.o -./src/.libs/multilevel-atom.o +./src/.libs/update_eh.o +./src/.libs/bicgstab.o +./src/.libs/GDSIIgeom.o +./src/.libs/libmeep.lai +./src/.libs/mpb.o +./src/.libs/time.o ./src/.libs/fields_dump.o -./src/.libs/material_data.o -./src/.libs/loop_in_chunks.o -./src/.libs/bands.o -./src/.libs/structure.o -./src/.libs/h5fields.o -./src/.libs/integrate2.o -./src/.libs/monitor.o -./src/.libs/stress.o -./src/.libs/energy_and_flux.o +./src/.libs/libmeep.so.30 +./src/.libs/anisotropic_averaging.o +./src/.libs/structure_dump.o +./src/.libs/array_slice.o +./src/.libs/step_generic_stride1.o ./src/.libs/random.o -./src/.libs/GDSIIgeom.o -./src/.libs/cw_fields.o +./src/.libs/mympi.o ./src/.libs/dft.o -./src/.libs/libmeep.la -./src/.libs/libmeep.so.30.0.0 -./src/.libs/output_directory.o -./src/.libs/susceptibility.o -./src/.libs/casimir.o ./src/.libs/initialize.o +./src/.libs/h5fields.o +./src/.libs/cw_fields.o +./src/.libs/loop_in_chunks.o +./src/.libs/structure.o ./src/.libs/boundaries.o -./src/.libs/step_generic.o -./src/.libs/libmeep.a -./src/.libs/update_eh.o -./src/.libs/time.o ./src/.libs/near2far.o -./src/.libs/meepgeom.o ./src/.libs/sources.o +./src/.libs/libmeep.so +./src/.libs/h5file.o +./src/.libs/susceptibility.o +./src/.libs/libmeep.la +./src/.libs/integrate.o +./src/.libs/multilevel-atom.o +./src/.libs/energy_and_flux.o ./src/.libs/step.o -./src/.libs/step_generic_stride1.o -./src/.libs/mympi.o +./src/.libs/material_data.o +./src/.libs/bands.o ./src/.libs/vec.o -./src/.libs/fix_boundary_sources.o -./src/.libs/bicgstab.o -./src/dft_ldos.cpp -./src/fields.cpp -./src/energy_and_flux.cpp -./src/h5file.lo -./.github -./.github/workflows -./.github/workflows/pre-commit.yml -./.github/workflows/build-ci.yml -./.github/workflows/build-san.yml -./.github/dependabot.yml -./index.md -./debian -./debian/.debhelper -./debian/.debhelper/generated -./debian/.debhelper/generated/_source -./debian/.debhelper/generated/_source/home -./debian/.debhelper/generated/_source/home/.cache -./debian/.debhelper/generated/_source/home/.cache/guile -./debian/.debhelper/generated/_source/home/.cache/guile/ccache -./debian/.debhelper/generated/_source/home/.cache/guile/ccache/3.0-LE-4-4.6 -./debian/.debhelper/generated/_source/home/.cache/guile/ccache/3.0-LE-4-4.6/usr -./debian/.debhelper/generated/_source/home/.cache/guile/ccache/3.0-LE-4-4.6/usr/share -./debian/.debhelper/generated/_source/home/.cache/guile/ccache/3.0-LE-4-4.6/usr/share/libctl -./debian/.debhelper/generated/_source/home/.cache/guile/ccache/3.0-LE-4-4.6/usr/share/libctl/base -./debian/.debhelper/generated/_source/home/.cache/guile/ccache/3.0-LE-4-4.6/usr/share/libctl/base/include.scm.go -./debian/control -./debian/rules -./debian/missing-sources -./debian/missing-sources/highlight.js -./debian/missing-sources/jquery-2.1.1.js -./debian/missing-sources/modernizr-2.8.3.js -./debian/README.source -./debian/libmeep30.lintian-overrides -./debian/python3-meep.prerm -./debian/python3-meep.postinst -./debian/source -./debian/source/format -./debian/source/lintian-overrides -./debian/meep.manpages -./debian/watch -./debian/libmeep30.install -./debian/upstream -./debian/upstream/metadata -./debian/changelog -./debian/meep.docs -./debian/python3-meep.install -./debian/patches -./debian/patches/i386-fix.patch -./debian/patches/series -./debian/patches/python-distutils.patch -./debian/libmeep-dev.install -./debian/meep.1 -./debian/meep.install -./debian/autoreconf.before -./debian/docs -./debian/autoreconf.after -./debian/copyright -./COPYRIGHT -./README.md -./compile -./tests -./tests/near2far -./tests/cyl-ellipsoid-ll -./tests/pml.log -./tests/two_dimensional.trs -./tests/gdsII-3d.gds -./tests/array-slice-ll -./tests/gdsII-3d -./tests/near2far.cpp -./tests/array-slice-ll.trs -./tests/flux.trs -./tests/cyl-ellipsoid.ctl -./tests/convergence_cyl_waveguide.cpp -./tests/ring-ll.trs -./tests/cylindrical.trs -./tests/pml.cpp -./tests/ring-ll.cpp -./tests/2D_convergence -./tests/aniso_disp.log -./tests/test-suite.log -./tests/stress_tensor.log -./tests/bragg_transmission.o -./tests/convergence_cyl_waveguide.o -./tests/one_dimensional.cpp -./tests/pw-source-ll.cpp -./tests/two_dimensional.log -./tests/user-defined-material.o -./tests/convergence_cyl_waveguide -./tests/integrate.o -./tests/eps-000000000.h5 -./tests/bragg_transmission.cpp -./tests/one_dimensional -./tests/absorber-1d-ll.cpp -./tests/physical.o -./tests/bend-flux-ll.cpp -./tests/2D_convergence.cpp -./tests/gdsII-3d.cpp -./tests/user-defined-material -./tests/integrate.log -./tests/three_d.cpp -./tests/two_dimensional -./tests/one_dimensional.trs -./tests/user-defined-material.cpp -./tests/h5test.o -./tests/harmonics.o -./tests/symmetry -./tests/Makefile.am -./tests/harmonics.log -./tests/symmetry.o -./tests/dump_load.trs -./tests/cylindrical.cpp -./tests/bragg_transmission.log -./tests/known_results -./tests/cyl-ellipsoid-eps-ref.h5 -./tests/pml.o -./tests/two_dimensional.cpp -./tests/known_results.trs -./tests/stress_tensor.o -./tests/dump_load.cpp -./tests/physical.log -./tests/aniso_disp.trs -./tests/integrate.trs -./tests/array-slice-ll.log -./tests/Makefile.in -./tests/bend-flux-ll.o -./tests/cylindrical.log -./tests/one_dimensional.log -./tests/symmetry.trs -./tests/pml.trs -./tests/ring-ll.log -./tests/near2far.log -./tests/array-metadata.cpp -./tests/physical.cpp -./tests/two_dimensional.o -./tests/stress_tensor.trs -./tests/dump_load -./tests/known_results.cpp -./tests/array-metadata.o -./tests/ring-ll -./tests/2D_convergence.log -./tests/bench.o -./tests/flux -./tests/bend-flux-ll -./tests/cyl-ellipsoid-ll.trs -./tests/array-slice-ll.cpp -./tests/three_d -./tests/absorber-1d-ll.o -./tests/array-slice-ll.o -./tests/gdsII-3d.o -./tests/symmetry.cpp -./tests/dft-fields.o -./tests/near2far.trs -./tests/2D_convergence.o -./tests/three_d.log -./tests/bench.cpp -./tests/cyl-ellipsoid-ll.cpp -./tests/stress_tensor -./tests/h5test.trs -./tests/three_d.o -./tests/array-slice-ll-ref.h5 -./tests/convergence_cyl_waveguide.log -./tests/one_dimensional.o -./tests/ring-ll.o -./tests/bench.log -./tests/bench -./tests/2D_convergence.trs -./tests/physical.trs -./tests/flux.cpp -./tests/h5test.cpp -./tests/h5test.log -./tests/flux.log -./tests/cyl-ellipsoid-ll.o -./tests/dump_load.log -./tests/dft-fields -./tests/aniso_disp -./tests/pw-source-ll.o -./tests/near2far.o -./tests/convergence_cyl_waveguide.trs -./tests/stress_tensor.cpp -./tests/h5test -./tests/pw-source-ll -./tests/integrate.cpp -./tests/harmonics -./tests/flux.o -./tests/known_results.o -./tests/array-metadata -./tests/known_results.log -./tests/harmonics.cpp -./tests/integrate -./tests/Makefile -./tests/bench.trs -./tests/aniso_disp.cpp -./tests/cyl-ellipsoid-ll.log -./tests/three_d.trs -./tests/absorber-1d-ll -./tests/cylindrical.o -./tests/symmetry.log -./tests/physical -./tests/pml -./tests/bragg_transmission.trs -./tests/dump_load.o -./tests/cylindrical -./tests/dft-fields.cpp -./tests/aniso_disp.o -./tests/harmonics.trs -./tests/.libs -./tests/.libs/near2far -./tests/.libs/cyl-ellipsoid-ll -./tests/.libs/array-slice-ll -./tests/.libs/gdsII-3d -./tests/.libs/2D_convergence -./tests/.libs/convergence_cyl_waveguide -./tests/.libs/one_dimensional -./tests/.libs/user-defined-material -./tests/.libs/two_dimensional -./tests/.libs/symmetry -./tests/.libs/known_results -./tests/.libs/dump_load -./tests/.libs/ring-ll -./tests/.libs/flux -./tests/.libs/bend-flux-ll -./tests/.libs/three_d -./tests/.libs/stress_tensor -./tests/.libs/bench -./tests/.libs/dft-fields -./tests/.libs/aniso_disp -./tests/.libs/h5test -./tests/.libs/pw-source-ll -./tests/.libs/harmonics -./tests/.libs/array-metadata -./tests/.libs/integrate -./tests/.libs/absorber-1d-ll -./tests/.libs/physical -./tests/.libs/pml -./tests/.libs/cylindrical -./tests/.libs/bragg_transmission -./tests/bragg_transmission -./autogen.sh +./src/.libs/stress.o +./src/.libs/fields.o +./src/h5file.cpp +./src/stress.o +./src/fields.o +./src/energy_and_flux.lo +./src/susceptibility.cpp +./src/structure_dump.cpp +./src/material_data.hpp +./src/sources.lo +./LICENSE +./configure.ac ./Makefile -./config.sub -./.mailmap +./meep-pkgconfig ./config.status +./AUTHORS +./test-driver +./monkeytype.sqlite3 +./version.sh +./aclocal.m4 +./m4 +./m4/ax_lapack.m4 +./m4/ax_blas.m4 +./m4/ltsugar.m4 +./m4/lt~obsolete.m4 +./m4/ax_gcc_archflag.m4 +./m4/libtool.m4 +./m4/ax_check_compiler_flags.m4 +./m4/ax_cxx_compile_stdcxx.m4 +./m4/pkg.m4 +./m4/ax_gcc_x86_cpuid.m4 +./m4/ax_cxx_maxopt.m4 +./m4/ax_openmp.m4 +./m4/ltoptions.m4 +./m4/ax_mpi.m4 +./m4/ax_compiler_vendor.m4 +./m4/ltversion.m4 ======================================== meep 1.25.0: python/test-suite.log ======================================== @@ -4216,7 +4252,7 @@ FAIL: tests/test_adjoint_solver =============================== -Matplotlib created a temporary cache directory at /tmp/matplotlib-3tvx0wue because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. +Matplotlib created a temporary cache directory at /tmp/matplotlib-6_0csi8w because the default path (/nonexistent/second-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_adjoint_solver.py", line 4, in import meep.adjoint as mpa @@ -4237,13 +4273,13 @@ from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' -Elapsed run time = 0.6643 s +Elapsed run time = 1.0034 s FAIL tests/test_adjoint_solver.py (exit status: 1) FAIL: tests/test_adjoint_utils ============================== -Matplotlib created a temporary cache directory at /tmp/matplotlib-154kt5h5 because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. +Matplotlib created a temporary cache directory at /tmp/matplotlib-m7qczg6q because the default path (/nonexistent/second-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_adjoint_utils.py", line 11, in import meep.adjoint as mpa @@ -4264,13 +4300,13 @@ from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' -Elapsed run time = 0.3412 s +Elapsed run time = 0.5673 s FAIL tests/test_adjoint_utils.py (exit status: 1) FAIL: tests/test_adjoint_cyl ============================ -Matplotlib created a temporary cache directory at /tmp/matplotlib-nto3ak5z because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. +Matplotlib created a temporary cache directory at /tmp/matplotlib-7adk7m82 because the default path (/nonexistent/second-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_adjoint_cyl.py", line 4, in import meep.adjoint as mpa @@ -4291,7 +4327,7 @@ from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' -Elapsed run time = 0.3464 s +Elapsed run time = 0.5644 s FAIL tests/test_adjoint_cyl.py (exit status: 1) FAIL: tests/test_adjoint_jax @@ -4306,13 +4342,13 @@ FAIL: tests/test_binary_partition_utils ======================================= -Matplotlib created a temporary cache directory at /tmp/matplotlib-erov58ha because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. +Matplotlib created a temporary cache directory at /tmp/matplotlib-tvbtgtpa because the default path (/nonexistent/second-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_binary_partition_utils.py", line 6, in import parameterized ModuleNotFoundError: No module named 'parameterized' -Elapsed run time = 0.0031 s +Elapsed run time = 0.0057 s FAIL tests/test_binary_partition_utils.py (exit status: 1) FAIL: tests/test_binary_grating @@ -4327,19 +4363,19 @@ FAIL: tests/test_chunk_balancer =============================== -Matplotlib created a temporary cache directory at /tmp/matplotlib-s9x_6im0 because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. +Matplotlib created a temporary cache directory at /tmp/matplotlib-_ppwfum3 because the default path (/nonexistent/second-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_chunk_balancer.py", line 5, in import parameterized ModuleNotFoundError: No module named 'parameterized' -Elapsed run time = 0.0007 s +Elapsed run time = 0.0013 s FAIL tests/test_chunk_balancer.py (exit status: 1) FAIL: tests/test_fragment_stats =============================== -Matplotlib created a temporary cache directory at /tmp/matplotlib-u9qa3fp_ because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. +Matplotlib created a temporary cache directory at /tmp/matplotlib-y4__yvp2 because the default path (/nonexistent/second-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. ssss....F.......................... ====================================================================== FAIL: test_1d_with_partial_fragment (__main__.TestFragmentStats.test_1d_with_partial_fragment) @@ -4352,17 +4388,17 @@ AssertionError: 483 != 480 ---------------------------------------------------------------------- -Ran 35 tests in 0.014s +Ran 35 tests in 0.023s FAILED (failures=1, skipped=4) -Elapsed run time = 0.0169 s +Elapsed run time = 0.0277 s FAIL tests/test_fragment_stats.py (exit status: 1) FAIL: tests/test_get_epsilon_grid ================================= -Matplotlib created a temporary cache directory at /tmp/matplotlib-vw5jnb_d because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. +Matplotlib created a temporary cache directory at /tmp/matplotlib-h49a_g79 because the default path (/nonexistent/second-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_get_epsilon_grid.py", line 3, in import meep.adjoint as mpa @@ -4372,19 +4408,19 @@ from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' -Elapsed run time = 0.3695 s +Elapsed run time = 0.5794 s FAIL tests/test_get_epsilon_grid.py (exit status: 1) FAIL: tests/test_material_dispersion ==================================== -Matplotlib created a temporary cache directory at /tmp/matplotlib-274fkxvb because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. +Matplotlib created a temporary cache directory at /tmp/matplotlib-ck_cv2ph because the default path (/nonexistent/second-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. ----------- Initializing structure... -time for choose_chunkdivision = 3.29528e-05 s +time for choose_chunkdivision = 2.80412e-05 s Working in 2D dimensions. Computational cell is 0.05 x 0.05 x 0 with resolution 20 -time for set_epsilon = 0.000809114 s +time for set_epsilon = 0.00225398 s ----------- F ====================================================================== @@ -4409,7 +4445,7 @@ y: array([0.41054 , 0.620241, 0.828574, 1.035074, 1.239278, 1.440721]) ---------------------------------------------------------------------- -Ran 1 test in 2.574s +Ran 1 test in 10.281s FAILED (failures=1) Meep: using complex fields. @@ -4448,13 +4484,13 @@ freqs:, 7, 2.2, 0.0, 0.0, 1.4407208712852115 freqs-im:, 7, 2.2, 0.0, 0.0, -1.0601848938221453e-13 -Elapsed run time = 2.5762 s +Elapsed run time = 10.2862 s FAIL tests/test_material_dispersion.py (exit status: 1) FAIL: tests/test_material_grid ============================== -Matplotlib created a temporary cache directory at /tmp/matplotlib-ej2lzk5l because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. +Matplotlib created a temporary cache directory at /tmp/matplotlib-30nlazgu because the default path (/nonexistent/second-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_material_grid.py", line 4, in import meep.adjoint as mpa @@ -4475,15 +4511,15 @@ from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' -Elapsed run time = 0.3812 s +Elapsed run time = 0.5605 s FAIL tests/test_material_grid.py (exit status: 1) FAIL: tests/test_mpb ==================== -Matplotlib created a temporary cache directory at /tmp/matplotlib-jh1kjlxq because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. +Matplotlib created a temporary cache directory at /tmp/matplotlib-ml36p42e because the default path (/nonexistent/second-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. -/tmp/meepGWbq13/test_anisotropic_2d_gap-0 +/tmp/meepGSue4y/test_anisotropic_2d_gap-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -4526,7 +4562,7 @@ 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: 0.003101825714111328 +elapsed time for initialization: 0.005645751953125 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... @@ -4637,7 +4673,7 @@ iteration 52: trace = 0.8320200571439202 (6.43433e-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: 0.15447592735290527 +elapsed time for k point: 0.3335738182067871 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -4732,7 +4768,7 @@ iteration 45: trace = 0.8305318838345979 (5.16658e-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: 0.2071218490600586 +elapsed time for k point: 0.44672393798828125 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. @@ -4825,7 +4861,7 @@ iteration 44: trace = 0.8299239457452544 (6.26464e-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: 0.20265650749206543 +elapsed time for k point: 0.43341708183288574 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -4926,7 +4962,7 @@ iteration 48: trace = 0.8282808406674247 (4.6123e-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: 0.22029447555541992 +elapsed time for k point: 0.46729540824890137 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 7 iterations. @@ -5009,7 +5045,7 @@ iteration 39: trace = 0.8195746262296734 (5.8195e-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: 0.17925405502319336 +elapsed time for k point: 0.3826911449432373 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -5086,7 +5122,7 @@ iteration 36: trace = 0.8152593107299858 (8.5317e-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: 0.1657118797302246 +elapsed time for k point: 0.3997523784637451 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -5167,7 +5203,7 @@ iteration 38: trace = 0.8101088212743904 (5.4284e-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: 0.17417502403259277 +elapsed time for k point: 0.44028425216674805 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -5246,7 +5282,7 @@ iteration 37: trace = 0.8027830712683001 (5.80985e-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: 0.17262721061706543 +elapsed time for k point: 0.42204713821411133 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -5327,7 +5363,7 @@ iteration 38: trace = 0.8027156837865849 (5.41477e-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: 0.17439556121826172 +elapsed time for k point: 0.4574778079986572 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -5416,7 +5452,7 @@ iteration 42: trace = 0.8111283942460427 (9.4484e-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: 0.1924600601196289 +elapsed time for k point: 0.4839186668395996 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -5528,7 +5564,7 @@ iteration 53: trace = 0.8190722270474012 (9.58584e-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: 0.24183177947998047 +elapsed time for k point: 0.60616135597229 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -5622,7 +5658,7 @@ iteration 44: trace = 0.8090111116370089 (7.55463e-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: 0.20112919807434082 +elapsed time for k point: 0.507469892501831 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -5695,7 +5731,7 @@ iteration 34: trace = 0.810101466164631 (5.20643e-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: 0.15635418891906738 +elapsed time for k point: 0.3926079273223877 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. @@ -5782,7 +5818,7 @@ iteration 41: trace = 0.8249014819373072 (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: 0.18817758560180664 +elapsed time for k point: 0.474717378616333 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. @@ -5863,7 +5899,7 @@ iteration 38: trace = 0.8293598597555045 (7.00917e-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: 0.17477703094482422 +elapsed time for k point: 0.4421651363372803 solve_kpoint (0,0,0): Solving for bands 3 to 8... linmin: converged after 4 iterations. @@ -5948,7 +5984,7 @@ iteration 40: trace = 0.8320200571443133 (8.05426e-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: 0.11780858039855957 +..elapsed time for k point: 0.2916560173034668 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.22135702280024677 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.23061915826414625 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.21696776954474636 at Vector3<0.5, 0.0, 0.0> to 0.3189924765685542 at Vector3<0.0, 0.0, 0.0> @@ -5957,15 +5993,15 @@ Band 6 range: 0.3419647255076196 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.39155468442595526 at Vector3<0.5, 0.1, 0.0> Band 7 range: 0.349538537661238 at Vector3<0.5, 0.5, 0.0> to 0.4073736001230443 at Vector3<0.4, 0.0, 0.0> Band 8 range: 0.3961388233101108 at Vector3<0.09999999999999998, 0.09999999999999998, 0.0> to 0.4773065722591594 at Vector3<0.5, 0.5, 0.0> -total elapsed time for run: 2.9269206523895264 +total elapsed time for run: 6.989462614059448 done -/tmp/meepGWbq13/test_anisotropic_2d_gap-0: 2.93s +/tmp/meepGSue4y/test_anisotropic_2d_gap-0: 6.99s -/tmp/meepGWbq13/test_attribute_accessors-0 +/tmp/meepGSue4y/test_attribute_accessors-0 ======================== -/tmp/meepGWbq13/test_attribute_accessors-0: 0.00s +/tmp/meepGSue4y/test_attribute_accessors-0: 0.00s -/tmp/meepGWbq13/test_bragg-0 +/tmp/meepGSue4y/test_bragg-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -5993,7 +6029,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.0, 0.0> -elapsed time for initialization: 0.00026988983154296875 +elapsed time for initialization: 0.0005443096160888672 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... @@ -6007,7 +6043,7 @@ linmin: converged after 7 iterations. iteration 4: trace = 18.64391851984282 (0.846506% change) linmin: converged after 8 iterations. - switching to approximate line minimization (decrease time by 50.2564%) + switching to approximate line minimization (decrease time by 51.236%) iteration 5: trace = 18.63017324218211 (0.0737524% change) iteration 6: trace = 18.62916003755744 (0.00543866% change) iteration 7: trace = 18.62909545220464 (0.00034669% change) @@ -6019,14 +6055,14 @@ iteration 13: trace = 18.62908769489475 (4.78677e-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: 0.002550840377807617 -total elapsed time for run: 0.002866029739379883 +elapsed time for k point: 0.0055408477783203125 +total elapsed time for run: 0.006180524826049805 done Fixing h-field (band 8) phase by 0.909537 + -0.415623i; max ampl. = 1.96664 -.Outputting fields to /tmp/meepGWbq13/test_bragg-0-h.k01.b08.y.tm.h5... -/tmp/meepGWbq13/test_bragg-0: 0.02s +.Outputting fields to /tmp/meepGSue4y/test_bragg-0-h.k01.b08.y.tm.h5... +/tmp/meepGSue4y/test_bragg-0: 0.03s -/tmp/meepGWbq13/test_bragg_sine-0 +/tmp/meepGSue4y/test_bragg_sine-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -6062,7 +6098,7 @@ 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: 0.003937244415283203 +elapsed time for initialization: 0.010538101196289062 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... @@ -6086,233 +6122,240 @@ iteration 8: trace = 11.08038976857812 (0.0163303% change) large trace change predicted (0.0812499%) linmin: converged after 9 iterations. - switching to approximate line minimization (decrease time by 50.6024%) + switching to approximate line minimization (decrease time by 51.505%) iteration 9: trace = 11.07305310957727 (0.0662349% change) iteration 10: trace = 11.071855171727 (0.0108191% change) + switching back to exact line minimization iteration 11: trace = 11.07168737865584 (0.0015155% change) - iteration 12: trace = 11.07167584612116 (0.000104162% change) - iteration 13: trace = 11.0716748249922 (9.22289e-06% change) - iteration 14: trace = 11.07167476327104 (5.57469e-07% change) - iteration 15: trace = 11.07167475287901 (9.38614e-08% change) - iteration 16: trace = 11.07167472991288 (2.07431e-07% change) - iteration 17: trace = 11.07167463687486 (8.40325e-07% change) - iteration 18: trace = 11.071674538881 (8.85086e-07% change) - iteration 19: trace = 11.07167451569485 (2.09419e-07% change) - iteration 20: trace = 11.07167451357825 (1.91173e-08% change) - iteration 21: trace = 11.07167451350159 (6.92354e-10% change) - iteration 22: trace = 11.0716745134967 (4.41696e-11% change) + linmin: converged after 6 iterations. + iteration 12: trace = 11.07167584603663 (0.000104163% change) + linmin: converged after 5 iterations. + iteration 13: trace = 11.07167482572338 (9.21553e-06% change) + linmin: converged after 5 iterations. + iteration 14: trace = 11.07167476357656 (5.61314e-07% change) + linmin: converged after 9 iterations. + switching to approximate line minimization (decrease time by 54.5679%) + iteration 15: trace = 11.07167475311313 (9.45062e-08% change) + iteration 16: trace = 11.07167473058103 (2.03511e-07% change) + iteration 17: trace = 11.07167463946857 (8.22933e-07% change) + iteration 18: trace = 11.07167453987719 (8.99515e-07% change) + iteration 19: trace = 11.07167451578271 (2.17623e-07% change) + iteration 20: trace = 11.07167451358402 (1.98587e-08% change) + iteration 21: trace = 11.07167451350765 (6.89835e-10% change) + iteration 22: trace = 11.07167451349856 (8.20338e-11% change) Finished solving for bands 2 to 8 after 22 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: 0.0033800601959228516 +elapsed time for k point: 0.007970809936523438 solve_kpoint (0.05,0,0): Solving for bands 1 to 8... linmin: converged after 9 iterations. - iteration 1: trace = 11.04205905041829 (0.320427% change) - linmin: converged after 11 iterations. - switching to approximate line minimization (decrease time by 56.3063%) - iteration 2: trace = 11.02779654905734 (0.129249% change) - iteration 3: trace = 11.02770775201116 (0.000805214% change) + iteration 1: trace = 11.04205941732901 (0.320429% change) + linmin: converged after 14 iterations. + switching to approximate line minimization (decrease time by 64.076%) + iteration 2: trace = 11.02779690256432 (0.129249% change) + iteration 3: trace = 11.0277081058487 (0.000805211% change) switching back to exact line minimization - large trace change predicted (0.0933116%) + large trace change predicted (0.0933114%) linmin: converged after 10 iterations. - iteration 4: trace = 11.01807044728324 (0.0874299% change) - linmin: converged after 6 iterations. - iteration 5: trace = 11.01664700154523 (0.01292% change) + iteration 4: trace = 11.01807085457891 (0.0874294% change) linmin: converged after 7 iterations. - iteration 6: trace = 11.01540644767792 (0.0112614% change) + iteration 5: trace = 11.01664740329773 (0.0129201% change) linmin: converged after 7 iterations. - iteration 7: trace = 11.0143420697646 (0.0096631% change) + iteration 6: trace = 11.0154068401471 (0.0112614% change) + linmin: converged after 8 iterations. + iteration 7: trace = 11.01434244622578 (0.00966324% change) + linmin: converged after 7 iterations. + iteration 8: trace = 11.01352966158673 (0.0073796% change) linmin: converged after 6 iterations. - iteration 8: trace = 11.01352933366348 (0.00737916% change) - linmin: converged after 10 iterations. - iteration 9: trace = 11.01297625652482 (0.00502192% change) + iteration 9: trace = 11.01297656921902 (0.00502206% change) linmin: converged after 5 iterations. - iteration 10: trace = 11.01260618034579 (0.00336042% change) - linmin: converged after 5 iterations. - iteration 11: trace = 11.01234847372382 (0.00234013% change) - linmin: converged after 9 iterations. - iteration 12: trace = 11.0121597944427 (0.00171336% change) - linmin: converged after 5 iterations. - iteration 13: trace = 11.01201512145357 (0.00131377% change) + iteration 10: trace = 11.01260648483712 (0.0033605% change) linmin: converged after 7 iterations. - iteration 14: trace = 11.01189960676129 (0.00104899% change) + iteration 11: trace = 11.0123487732124 (0.00234018% change) + linmin: converged after 9 iterations. + iteration 12: trace = 11.01216010101959 (0.00171329% change) linmin: converged after 6 iterations. - iteration 15: trace = 11.01180403392142 (0.000867909% change) + iteration 13: trace = 11.01201542575907 (0.00131379% change) + linmin: converged after 6 iterations. + iteration 14: trace = 11.01189990877993 (0.00104901% change) + linmin: converged after 6 iterations. + iteration 15: trace = 11.01180433473425 (0.00086792% change) + linmin: converged after 6 iterations. + iteration 16: trace = 11.0117227041796 (0.000741303% change) linmin: converged after 5 iterations. - iteration 16: trace = 11.011722404396 (0.000741294% change) + iteration 17: trace = 11.01165092868075 (0.000651812% change) linmin: converged after 5 iterations. - iteration 17: trace = 11.01165062959413 (0.000651806% change) + iteration 18: trace = 11.01158609068045 (0.000588814% change) linmin: converged after 5 iterations. - iteration 18: trace = 11.01158579201574 (0.000588811% change) + iteration 19: trace = 11.01152600469916 (0.000545663% change) linmin: converged after 5 iterations. - iteration 19: trace = 11.01152570644577 (0.000545659% change) - linmin: converged after 6 iterations. - iteration 20: trace = 11.0114686490991 (0.000518162% change) + iteration 20: trace = 11.01146894706556 (0.000518164% change) linmin: converged after 5 iterations. - iteration 21: trace = 11.01141318250549 (0.000503718% change) - linmin: converged after 7 iterations. - iteration 22: trace = 11.01135803879264 (0.000500788% change) + iteration 21: trace = 11.01141348036028 (0.000503719% change) linmin: converged after 5 iterations. - iteration 23: trace = 11.01130203760618 (0.000508578% change) + iteration 22: trace = 11.01135833643433 (0.00050079% change) linmin: converged after 5 iterations. - iteration 24: trace = 11.01124402888076 (0.000526812% change) + iteration 23: trace = 11.01130233524129 (0.000508578% change) + linmin: converged after 6 iterations. + iteration 24: trace = 11.01124432653597 (0.000526812% change) linmin: converged after 5 iterations. - iteration 25: trace = 11.01118285184001 (0.000555589% change) + iteration 25: trace = 11.01118314970196 (0.000555587% change) linmin: converged after 5 iterations. - iteration 26: trace = 11.01111730998259 (0.000595232% change) + iteration 26: trace = 11.01111760782075 (0.000595232% change) linmin: converged after 5 iterations. - iteration 27: trace = 11.01104615884841 (0.000646178% change) + iteration 27: trace = 11.01104645724507 (0.000646172% change) linmin: converged after 5 iterations. - iteration 28: trace = 11.01096811116407 (0.000708815% change) + iteration 28: trace = 11.01096841027927 (0.000708809% change) + linmin: converged after 8 iterations. + iteration 29: trace = 11.01088215551224 (0.000783356% change) linmin: converged after 5 iterations. - iteration 29: trace = 11.01088185598758 (0.00078336% change) - linmin: converged after 6 iterations. - iteration 30: trace = 11.01078609553969 (0.000869693% change) - linmin: converged after 6 iterations. - iteration 31: trace = 11.01067959126438 (0.000967277% change) - linmin: converged after 6 iterations. - iteration 32: trace = 11.01056122276012 (0.00107504% change) + iteration 30: trace = 11.01078639555874 (0.000869688% change) + linmin: converged after 5 iterations. + iteration 31: trace = 11.0106798898954 (0.000967289% change) linmin: converged after 6 iterations. - iteration 33: trace = 11.01043004664499 (0.00119137% change) + iteration 32: trace = 11.01056151877011 (0.00107506% change) linmin: converged after 5 iterations. - iteration 34: trace = 11.01028535471402 (0.00131414% change) - linmin: converged after 7 iterations. - iteration 35: trace = 11.01012671654874 (0.00144083% change) - linmin: converged after 7 iterations. - iteration 36: trace = 11.00995409763879 (0.00156783% change) - linmin: converged after 7 iterations. - iteration 37: trace = 11.00976781220614 (0.00169199% change) - linmin: converged after 11 iterations. - iteration 38: trace = 11.00956875300424 (0.00180804% change) - linmin: converged after 8 iterations. - iteration 39: trace = 11.0093584183874 (0.00191049% change) + iteration 33: trace = 11.01043034322669 (0.00119137% change) linmin: converged after 5 iterations. - iteration 40: trace = 11.0091389473237 (0.00199352% change) + iteration 34: trace = 11.01028564296412 (0.00131422% change) linmin: converged after 5 iterations. - iteration 41: trace = 11.00891301657614 (0.00205223% change) - linmin: converged after 8 iterations. - iteration 42: trace = 11.00868392631007 (0.00208097% change) + iteration 35: trace = 11.01012700527131 (0.00144082% change) linmin: converged after 7 iterations. - iteration 43: trace = 11.00845518327095 (0.00207786% change) + iteration 36: trace = 11.00995436449455 (0.00156803% change) + linmin: converged after 10 iterations. + iteration 37: trace = 11.00976807931062 (0.00169198% change) linmin: converged after 5 iterations. - iteration 44: trace = 11.00822975950556 (0.00204775% change) + iteration 38: trace = 11.00956906739918 (0.00180761% change) + linmin: converged after 6 iterations. + iteration 39: trace = 11.00935870547498 (0.00191074% change) + linmin: converged after 8 iterations. + iteration 40: trace = 11.00913917428928 (0.00199406% change) linmin: converged after 5 iterations. - iteration 45: trace = 11.00801037096044 (0.00199297% change) + iteration 41: trace = 11.0089133376741 (0.00205138% change) linmin: converged after 7 iterations. - iteration 46: trace = 11.00779886559102 (0.0019214% change) + iteration 42: trace = 11.00868424487703 (0.002081% change) linmin: converged after 5 iterations. - iteration 47: trace = 11.0075963672789 (0.00183961% change) + iteration 43: trace = 11.00845539563116 (0.00207883% change) linmin: converged after 7 iterations. - iteration 48: trace = 11.00740316320059 (0.0017552% change) - linmin: converged after 6 iterations. - iteration 49: trace = 11.00721926129506 (0.00167073% change) + iteration 44: trace = 11.0082299697037 (0.00204777% change) + linmin: converged after 7 iterations. + iteration 45: trace = 11.00801057891113 (0.00199299% change) + linmin: converged after 8 iterations. + iteration 46: trace = 11.00779913166774 (0.00192087% change) linmin: converged after 6 iterations. - iteration 50: trace = 11.00704419168062 (0.00159051% change) + iteration 47: trace = 11.00759663053383 (0.00183963% change) linmin: converged after 7 iterations. - iteration 51: trace = 11.00687745106205 (0.00151487% change) - linmin: converged after 5 iterations. - iteration 52: trace = 11.00671836635 (0.00144533% change) + iteration 48: trace = 11.00740342414085 (0.00175523% change) + linmin: converged after 7 iterations. + iteration 49: trace = 11.00721948377069 (0.00167107% change) + linmin: converged after 9 iterations. + iteration 50: trace = 11.00704444160911 (0.00159026% change) linmin: converged after 6 iterations. - iteration 53: trace = 11.00656634005642 (0.00138122% change) + iteration 51: trace = 11.00687769930077 (0.00151488% change) + linmin: converged after 9 iterations. + iteration 52: trace = 11.00671861315087 (0.00144534% change) linmin: converged after 6 iterations. - iteration 54: trace = 11.00642080893015 (0.00132223% change) - linmin: converged after 5 iterations. - iteration 55: trace = 11.00628124283196 (0.00126805% change) + iteration 53: trace = 11.00656660203262 (0.00138109% change) + linmin: converged after 9 iterations. + iteration 54: trace = 11.00642106961344 (0.00132224% change) linmin: converged after 6 iterations. - iteration 56: trace = 11.00614718802523 (0.00121799% change) - linmin: converged after 5 iterations. - iteration 57: trace = 11.00601829089926 (0.00117114% change) + iteration 55: trace = 11.00628150231027 (0.00126806% change) linmin: converged after 6 iterations. - iteration 58: trace = 11.00589422153675 (0.00112729% change) - linmin: converged after 5 iterations. - iteration 59: trace = 11.00577473314454 (0.00108568% change) - linmin: converged after 7 iterations. - iteration 60: trace = 11.0056596151316 (0.00104598% change) + iteration 56: trace = 11.00614745700783 (0.00121791% change) + linmin: converged after 6 iterations. + iteration 57: trace = 11.0060185586208 (0.00117116% change) linmin: converged after 6 iterations. - iteration 61: trace = 11.00554869385124 (0.00100786% change) + iteration 58: trace = 11.00589448831461 (0.0011273% change) + linmin: converged after 6 iterations. + iteration 59: trace = 11.00577500594526 (0.00108563% change) linmin: converged after 7 iterations. - iteration 62: trace = 11.00544182746235 (0.000971028% change) + iteration 60: trace = 11.0056598929136 (0.00104594% change) + linmin: converged after 9 iterations. + iteration 61: trace = 11.00554897024794 (0.00100787% change) + linmin: converged after 5 iterations. + iteration 62: trace = 11.00544210287468 (0.000971036% change) linmin: converged after 7 iterations. - iteration 63: trace = 11.00533888436911 (0.000935388% change) + iteration 63: trace = 11.00533915421459 (0.000935438% change) linmin: converged after 6 iterations. - iteration 64: trace = 11.0052397498342 (0.00090079% change) + iteration 64: trace = 11.00524001501838 (0.000900832% change) linmin: converged after 6 iterations. - iteration 65: trace = 11.00514431366968 (0.000867192% change) + iteration 65: trace = 11.0051445776705 (0.000867203% change) linmin: converged after 5 iterations. - iteration 66: trace = 11.00505247419697 (0.000834518% change) + iteration 66: trace = 11.00505273949055 (0.000834506% change) linmin: converged after 5 iterations. - iteration 67: trace = 11.00496412458757 (0.000802813% change) + iteration 67: trace = 11.00496438838376 (0.000802826% change) linmin: converged after 5 iterations. - iteration 68: trace = 11.0048791541295 (0.000772113% change) + iteration 68: trace = 11.0048794183027 (0.00077211% change) linmin: converged after 5 iterations. - iteration 69: trace = 11.00479744921932 (0.000742445% change) + iteration 69: trace = 11.00479771202941 (0.000742458% change) resetting CG direction... - large trace change predicted (0.11557%) + large trace change predicted (0.115573%) linmin: converged after 6 iterations. - iteration 70: trace = 10.99201985915464 (0.116177% change) + iteration 70: trace = 10.99201973776149 (0.11618% change) + linmin: converged after 11 iterations. + iteration 71: trace = 10.99062135958486 (0.0127226% change) linmin: converged after 6 iterations. - iteration 71: trace = 10.99062145119568 (0.0127228% change) + iteration 72: trace = 10.98948415178769 (0.0103476% change) + linmin: converged after 9 iterations. + iteration 73: trace = 10.9881866519749 (0.0118074% change) linmin: converged after 6 iterations. - iteration 72: trace = 10.98948416478909 (0.0103483% change) - linmin: converged after 10 iterations. - iteration 73: trace = 10.98818663549458 (0.0118077% change) - linmin: converged after 7 iterations. - iteration 74: trace = 10.98802560059352 (0.00146554% change) + iteration 74: trace = 10.98802560124443 (0.00146568% change) linmin: converged after 5 iterations. - iteration 75: trace = 10.98801515750253 (9.50407e-05% change) - linmin: converged after 5 iterations. - iteration 76: trace = 10.98801412695287 (9.37885e-06% change) + iteration 75: trace = 10.98801515752994 (9.50464e-05% change) + linmin: converged after 4 iterations. + iteration 76: trace = 10.98801412703162 (9.37839e-06% change) + linmin: converged after 6 iterations. + iteration 77: trace = 10.98801409624502 (2.80183e-07% change) linmin: converged after 4 iterations. - iteration 77: trace = 10.98801409649387 (2.77202e-07% change) + iteration 78: trace = 10.98801409339672 (2.59219e-08% change) linmin: converged after 3 iterations. - iteration 78: trace = 10.98801409334778 (2.8632e-08% change) + iteration 79: trace = 10.98801409310378 (2.66602e-09% change) linmin: converged after 3 iterations. - iteration 79: trace = 10.98801409309363 (2.31298e-09% change) - linmin: converged after 12 iterations. - iteration 80: trace = 10.98801409313976 (4.19855e-10% change) - linmin: converged after 4 iterations. - iteration 81: trace = 10.98801409292649 (1.94099e-09% change) - linmin: converged after 5 iterations. - iteration 82: trace = 10.98801409290431 (2.01853e-10% change) - linmin: converged after 26 iterations. - iteration 83: trace = 10.98801409286048 (3.98904e-10% change) - linmin: converged after 30 iterations. - iteration 84: trace = 10.98801409287005 (8.71364e-11% change) -Finished solving for bands 1 to 8 after 84 iterations. + iteration 80: trace = 10.98801409285775 (2.23905e-09% change) + linmin: converged after 3 iterations. + iteration 81: trace = 10.98801409295406 (8.76521e-10% change) + linmin: converged after 3 iterations. + iteration 82: trace = 10.98801409294131 (1.16074e-10% change) + linmin: converged after 51 iterations. + iteration 83: trace = 10.98801409295141 (9.1954e-11% change) +Finished solving for bands 1 to 8 after 83 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: 0.017852306365966797 +elapsed time for k point: 0.04066061973571777 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. - iteration 1: trace = 10.90376045743968 (0.00793499% change) - linmin: converged after 3 iterations. - iteration 2: trace = 10.90359830203835 (0.00148716% change) + iteration 1: trace = 10.9037604611268 (0.00793513% change) linmin: converged after 3 iterations. - iteration 3: trace = 10.90350960356808 (0.000813482% change) + iteration 2: trace = 10.90359830369451 (0.00148718% change) linmin: converged after 3 iterations. - iteration 4: trace = 10.90345230362587 (0.00052552% change) + iteration 3: trace = 10.90350960446994 (0.000813489% change) + linmin: converged after 4 iterations. + iteration 4: trace = 10.90345230369262 (0.000525527% change) linmin: converged after 3 iterations. - iteration 5: trace = 10.90344655288831 (5.27424e-05% change) - linmin: converged after 10 iterations. - switching to approximate line minimization (decrease time by 54.2857%) - iteration 6: trace = 10.90344608445302 (4.29621e-06% change) - iteration 7: trace = 10.90344604871546 (3.27764e-07% change) + iteration 5: trace = 10.90344655289649 (5.27429e-05% change) + linmin: converged after 4 iterations. + iteration 6: trace = 10.90344608445356 (4.29628e-06% change) + linmin: converged after 2 iterations. + iteration 7: trace = 10.90344604871546 (3.27769e-07% change) + linmin: converged after 2 iterations. iteration 8: trace = 10.9034460473527 (1.24984e-08% change) - iteration 9: trace = 10.9034460473056 (4.32023e-10% change) - iteration 10: trace = 10.90344604730442 (1.0834e-11% change) + linmin: converged after 2 iterations. + iteration 9: trace = 10.9034460473056 (4.31958e-10% change) + linmin: converged after 2 iterations. + iteration 10: trace = 10.90344604730441 (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: 0.0018558502197265625 +elapsed time for k point: 0.004475593566894531 solve_kpoint (0.15,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 10.82874318743892 (0.00713648% change) + iteration 1: trace = 10.82874318743821 (0.00713648% change) linmin: converged after 3 iterations. - iteration 2: trace = 10.82865179049086 (0.000844025% change) + iteration 2: trace = 10.82865179049031 (0.000844025% change) linmin: converged after 4 iterations. - iteration 3: trace = 10.8286391456444 (0.000116772% change) - linmin: converged after 5 iterations. - iteration 4: trace = 10.82863201430646 (6.58563e-05% change) + iteration 3: trace = 10.82863914564415 (0.000116772% change) + linmin: converged after 6 iterations. + iteration 4: trace = 10.82863201430644 (6.58563e-05% change) linmin: converged after 6 iterations. iteration 5: trace = 10.82863047384795 (1.42258e-05% change) linmin: converged after 2 iterations. @@ -6320,49 +6363,49 @@ linmin: converged after 2 iterations. iteration 7: trace = 10.82863032427763 (1.11044e-07% change) linmin: converged after 2 iterations. - iteration 8: trace = 10.82863032376797 (4.70655e-09% change) + iteration 8: trace = 10.82863032376797 (4.70656e-09% change) linmin: converged after 2 iterations. iteration 9: trace = 10.82863032375329 (1.35532e-10% change) linmin: converged after 2 iterations. - iteration 10: trace = 10.82863032375298 (2.95277e-12% change) + iteration 10: trace = 10.82863032375297 (2.96917e-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: 0.0020182132720947266 +elapsed time for k point: 0.004332065582275391 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.76383414066022 (0.00702665% change) linmin: converged after 4 iterations. iteration 2: trace = 10.76375283235569 (0.000755387% change) - linmin: converged after 5 iterations. + linmin: converged after 4 iterations. iteration 3: trace = 10.76374658323256 (5.80571e-05% change) linmin: converged after 5 iterations. iteration 4: trace = 10.76374528581931 (1.20535e-05% change) - linmin: converged after 4 iterations. + linmin: converged after 5 iterations. iteration 5: trace = 10.76374486740369 (3.88727e-06% change) linmin: converged after 2 iterations. - iteration 6: trace = 10.76374482182858 (4.23413e-07% change) + iteration 6: trace = 10.76374482182859 (4.23413e-07% change) linmin: converged after 2 iterations. - iteration 7: trace = 10.7637448172328 (4.26968e-08% change) + iteration 7: trace = 10.76374481723281 (4.26968e-08% change) linmin: converged after 2 iterations. - iteration 8: trace = 10.76374481699878 (2.17422e-09% change) + iteration 8: trace = 10.76374481699878 (2.17421e-09% change) linmin: converged after 2 iterations. - iteration 9: trace = 10.76374481699274 (5.61107e-11% change) + iteration 9: trace = 10.76374481699274 (5.61602e-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: 0.001851797103881836 +elapsed time for k point: 0.004190206527709961 solve_kpoint (0.25,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.70890918978214 (0.00701169% change) linmin: converged after 4 iterations. iteration 2: trace = 10.70883098425239 (0.000730287% change) - linmin: converged after 4 iterations. - iteration 3: trace = 10.70882611989432 (4.54238e-05% change) + linmin: converged after 5 iterations. + iteration 3: trace = 10.70882611989433 (4.54238e-05% change) linmin: converged after 2 iterations. iteration 4: trace = 10.70882574797966 (3.47297e-06% change) linmin: converged after 2 iterations. - iteration 5: trace = 10.70882564389909 (9.71914e-07% change) + iteration 5: trace = 10.70882564389908 (9.71914e-07% change) linmin: converged after 2 iterations. iteration 6: trace = 10.70882562957837 (1.33728e-07% change) linmin: converged after 2 iterations. @@ -6370,10 +6413,10 @@ linmin: converged after 2 iterations. iteration 8: trace = 10.70882562781417 (1.07348e-09% change) linmin: converged after 2 iterations. - iteration 9: trace = 10.70882562781128 (2.69717e-11% change) + iteration 9: trace = 10.70882562781128 (2.69883e-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: 0.0017819404602050781 +elapsed time for k point: 0.003984928131103516 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -6389,14 +6432,14 @@ linmin: converged after 2 iterations. iteration 6: trace = 10.66388494762051 (3.59533e-08% change) linmin: converged after 2 iterations. - iteration 7: trace = 10.66388494718304 (4.10239e-09% change) + iteration 7: trace = 10.66388494718303 (4.10242e-09% change) linmin: converged after 2 iterations. - iteration 8: trace = 10.66388494713198 (4.78759e-10% change) + iteration 8: trace = 10.66388494713198 (4.78725e-10% change) linmin: converged after 2 iterations. - iteration 9: trace = 10.66388494713049 (1.39925e-11% change) + iteration 9: trace = 10.66388494713049 (1.40258e-11% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 7, 0.3, 0, 0, 0.3, 0.137834, 0.362445, 0.657758, 0.859352, 1.15583, 1.35526, 1.65379, 1.8533 -elapsed time for k point: 0.0018031597137451172 +elapsed time for k point: 0.003604412078857422 solve_kpoint (0.35,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -6410,16 +6453,16 @@ linmin: converged after 2 iterations. iteration 5: trace = 10.62892804707553 (8.71056e-08% change) linmin: converged after 2 iterations. - iteration 6: trace = 10.62892804604185 (9.72514e-09% change) + iteration 6: trace = 10.62892804604186 (9.72509e-09% change) linmin: converged after 2 iterations. - iteration 7: trace = 10.62892804597542 (6.2503e-10% change) + iteration 7: trace = 10.62892804597542 (6.25047e-10% change) linmin: converged after 2 iterations. - iteration 8: trace = 10.62892804596424 (1.05238e-10% change) + iteration 8: trace = 10.62892804596423 (1.05305e-10% change) linmin: converged after 2 iterations. - iteration 9: trace = 10.62892804596352 (6.75184e-12% change) + iteration 9: trace = 10.62892804596351 (6.75184e-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: 0.0018014907836914062 +elapsed time for k point: 0.0039293766021728516 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -6433,22 +6476,22 @@ linmin: converged after 2 iterations. iteration 5: trace = 10.60395753615697 (4.57751e-08% change) linmin: converged after 2 iterations. - iteration 6: trace = 10.60395753572879 (4.03793e-09% change) + iteration 6: trace = 10.60395753572879 (4.03786e-09% change) linmin: converged after 2 iterations. - iteration 7: trace = 10.60395753570916 (1.85074e-10% change) + iteration 7: trace = 10.60395753570917 (1.85074e-10% change) linmin: converged after 2 iterations. iteration 8: trace = 10.6039575357088 (3.41737e-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: 0.0016362667083740234 +elapsed time for k point: 0.0038552284240722656 solve_kpoint (0.45,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 10.58905458874505 (0.00704958% change) + iteration 1: trace = 10.58905458874506 (0.00704958% change) linmin: converged after 4 iterations. - iteration 2: trace = 10.58897895638373 (0.000714253% change) + iteration 2: trace = 10.58897895638372 (0.000714253% change) linmin: converged after 4 iterations. - iteration 3: trace = 10.58897488550179 (3.84445e-05% change) + iteration 3: trace = 10.5889748855018 (3.84445e-05% change) linmin: converged after 2 iterations. iteration 4: trace = 10.58897478737543 (9.26684e-07% change) linmin: converged after 2 iterations. @@ -6456,53 +6499,53 @@ linmin: converged after 2 iterations. iteration 6: trace = 10.58897478378885 (2.18206e-09% change) linmin: converged after 2 iterations. - iteration 7: trace = 10.58897478377235 (1.55912e-10% change) + iteration 7: trace = 10.58897478377234 (1.55929e-10% change) linmin: converged after 2 iterations. - iteration 8: trace = 10.58897478377203 (2.95249e-12% change) + iteration 8: trace = 10.58897478377203 (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: 0.0016140937805175781 +elapsed time for k point: 0.0036487579345703125 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.58406017889885 (0.00705116% change) linmin: converged after 4 iterations. - iteration 2: trace = 10.58398461985989 (0.000713897% change) - linmin: converged after 6 iterations. + iteration 2: trace = 10.58398461985988 (0.000713897% change) + linmin: converged after 4 iterations. iteration 3: trace = 10.58398056403726 (3.83204e-05% change) linmin: converged after 2 iterations. iteration 4: trace = 10.58398046806651 (9.06755e-07% change) linmin: converged after 2 iterations. - iteration 5: trace = 10.58398046509703 (2.80563e-08% change) + iteration 5: trace = 10.58398046509703 (2.80564e-08% change) linmin: converged after 2 iterations. - iteration 6: trace = 10.58398046493152 (1.56376e-09% change) + iteration 6: trace = 10.58398046493153 (1.56371e-09% change) linmin: converged after 2 iterations. - iteration 7: trace = 10.58398046491725 (1.34889e-10% change) + iteration 7: trace = 10.58398046491724 (1.34989e-10% change) linmin: converged after 1 iterations. - iteration 8: trace = 10.58398046491709 (1.51051e-12% change) + iteration 8: trace = 10.58398046491708 (1.46016e-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: 0.0016438961029052734 -Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.19477466366820298 at Vector3<0.5, 0.0, 0.0> -Band 2 range: 0.3064030262308439 at Vector3<0.5, 0.0, 0.0> to 0.46877485258672674 at Vector3<0.0, 0.0, 0.0> -Band 3 range: 0.5466257501318902 at Vector3<0.0, 0.0, 0.0> to 0.7316504426541635 at Vector3<0.5, 0.0, 0.0> -Band 4 range: 0.7842615905093819 at Vector3<0.5, 0.0, 0.0> to 0.9893486155436494 at Vector3<0.0, 0.0, 0.0> -Band 5 range: 1.0240548648147412 at Vector3<0.0, 0.0, 0.0> to 1.2440980042025864 at Vector3<0.5, 0.0, 0.0> -Band 6 range: 1.2666566861855062 at Vector3<0.5, 0.0, 0.0> to 1.4970379696965925 at Vector3<0.0, 0.0, 0.0> -Band 7 range: 1.5115800994650426 at Vector3<0.0, 0.0, 0.0> to 1.7488359039910495 at Vector3<0.5, 0.0, 0.0> -Band 8 range: 1.7581683208483643 at Vector3<0.5, 0.0, 0.0> to 1.9999072006800203 at Vector3<0.0, 0.0, 0.0> -Gap from band 1 (0.19477466366820298) to band 2 (0.3064030262308439), 44.546421284286% -Gap from band 2 (0.46877485258672674) to band 3 (0.5466257501318902), 15.334026262487285% -Gap from band 3 (0.7316504426541635) to band 4 (0.7842615905093819), 6.941187444158572% -Gap from band 4 (0.9893486155436494) to band 5 (1.0240548648147412), 3.4475205401864097% -Gap from band 5 (1.2440980042025864) to band 6 (1.2666566861855062), 1.7969642410133524% -Gap from band 6 (1.4970379696965925) to band 7 (1.5115800994650426), 0.9666982936456452% -Gap from band 7 (1.7488359039910495) to band 8 (1.7581683208483643), 0.532215889060819% -total elapsed time for run: 0.041550397872924805 +.elapsed time for k point: 0.003688812255859375 +Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.19477466366820295 at Vector3<0.5, 0.0, 0.0> +Band 2 range: 0.3064030262308444 at Vector3<0.5, 0.0, 0.0> to 0.46877485258676477 at Vector3<0.0, 0.0, 0.0> +Band 3 range: 0.5466257501320709 at Vector3<0.0, 0.0, 0.0> to 0.7316504426541645 at Vector3<0.5, 0.0, 0.0> +Band 4 range: 0.7842615905093822 at Vector3<0.5, 0.0, 0.0> to 0.9893486155437395 at Vector3<0.0, 0.0, 0.0> +Band 5 range: 1.0240548648147285 at Vector3<0.0, 0.0, 0.0> to 1.2440980042025873 at Vector3<0.5, 0.0, 0.0> +Band 6 range: 1.266656686185507 at Vector3<0.5, 0.0, 0.0> to 1.4970379696968354 at Vector3<0.0, 0.0, 0.0> +Band 7 range: 1.511580099465035 at Vector3<0.0, 0.0, 0.0> to 1.7488359039910497 at Vector3<0.5, 0.0, 0.0> +Band 8 range: 1.7581683208483654 at Vector3<0.5, 0.0, 0.0> to 1.9999072006799044 at Vector3<0.0, 0.0, 0.0> +Gap from band 1 (0.19477466366820295) to band 2 (0.3064030262308444), 44.546421284286154% +Gap from band 2 (0.46877485258676477) to band 3 (0.5466257501320709), 15.33402626251209% +Gap from band 3 (0.7316504426541645) to band 4 (0.7842615905093822), 6.941187444158464% +Gap from band 4 (0.9893486155437395) to band 5 (1.0240548648147285), 3.447520540176065% +Gap from band 5 (1.2440980042025873) to band 6 (1.266656686185507), 1.7969642410133513% +Gap from band 6 (1.4970379696968354) to band 7 (1.511580099465035), 0.9666982936289196% +Gap from band 7 (1.7488359039910497) to band 8 (1.7581683208483654), 0.5322158890608695% +total elapsed time for run: 0.09598731994628906 done -/tmp/meepGWbq13/test_bragg_sine-0: 0.04s +/tmp/meepGSue4y/test_bragg_sine-0: 0.10s -/tmp/meepGWbq13/test_compute_field_energy-0 +/tmp/meepGSue4y/test_compute_field_energy-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -6545,7 +6588,7 @@ 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: 0.002936840057373047 +elapsed time for initialization: 0.006086111068725586 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... @@ -6656,7 +6699,7 @@ iteration 52: trace = 5.548117725324874 (4.74016e-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: 0.1806039810180664 +elapsed time for k point: 0.4535095691680908 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -6907,7 +6950,7 @@ iteration 121: trace = 5.540497242579405 (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: 0.5341658592224121 +elapsed time for k point: 1.3482882976531982 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -6964,7 +7007,7 @@ iteration 26: trace = 5.499374946276068 (6.759e-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: 0.11712908744812012 +elapsed time for k point: 0.2773399353027344 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7017,7 +7060,7 @@ iteration 24: trace = 5.48545908008786 (6.15763e-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: 0.10817575454711914 +elapsed time for k point: 0.25498533248901367 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7078,7 +7121,7 @@ iteration 28: trace = 5.504362091981045 (5.80892e-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: 0.12567424774169922 +elapsed time for k point: 0.30608582496643066 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7163,7 +7206,7 @@ iteration 40: trace = 5.538866868600049 (9.99485e-11% change) Finished solving for bands 1 to 8 after 40 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: 0.17766618728637695 +elapsed time for k point: 0.4201161861419678 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -7234,7 +7277,7 @@ iteration 33: trace = 5.41979773295833 (8.29052e-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: 0.14737749099731445 +elapsed time for k point: 0.35138845443725586 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7295,7 +7338,7 @@ iteration 28: trace = 5.240853948733921 (3.70127e-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: 0.12563419342041016 +elapsed time for k point: 0.2966780662536621 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7348,7 +7391,7 @@ iteration 24: trace = 5.096544273410621 (7.59123e-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: 0.10808396339416504 +elapsed time for k point: 0.2579042911529541 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7400,7 +7443,7 @@ iteration 23: trace = 5.00643649634139 (6.08862e-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: 0.10367822647094727 +elapsed time for k point: 0.2501029968261719 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7452,7 +7495,7 @@ iteration 23: trace = 4.975984265381786 (5.44939e-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: 0.10314631462097168 +elapsed time for k point: 0.23625874519348145 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7493,7 +7536,7 @@ iteration 18: trace = 5.036378479895263 (5.47046e-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: 0.08178997039794922 +elapsed time for k point: 0.18597197532653809 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7540,7 +7583,7 @@ iteration 21: trace = 5.206566305891691 (3.92012e-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: 0.09528923034667969 +elapsed time for k point: 0.22298908233642578 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7603,7 +7646,7 @@ iteration 29: trace = 5.417088766409222 (6.15501e-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: 0.1324174404144287 +elapsed time for k point: 0.2974557876586914 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7676,7 +7719,7 @@ iteration 34: trace = 5.522267645664736 (5.17409e-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: 0.15186452865600586 +elapsed time for k point: 0.3610248565673828 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -7871,7 +7914,7 @@ iteration 93: trace = 5.548117725324985 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.3203611373901367 +elapsed time for k point: 0.7591125965118408 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489877 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497226764 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160889 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> @@ -7883,13 +7926,13 @@ Gap from band 2 (0.5931405141160889) to band 3 (0.5931535863117833), 0.002203870977633219% Gap from band 4 (0.8096891551677093) to band 5 (0.8241814443502165), 1.77398249124295% Gap from band 7 (1.0860729323744873) to band 8 (1.0878689635115244), 0.16523267162162025% -total elapsed time for run: 2.616607427597046 +total elapsed time for run: 6.287177562713623 done Fixing h-field (band 8) phase by -1 + 2.59056e-07i; max ampl. = 4.48388 D-energy-components:, 16, 8, 0.499991, 0.500009, 0 -./tmp/meepGWbq13/test_compute_field_energy-0: 2.62s +./tmp/meepGSue4y/test_compute_field_energy-0: 6.30s -/tmp/meepGWbq13/test_compute_group_velocity-0 +/tmp/meepGSue4y/test_compute_group_velocity-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -7932,7 +7975,7 @@ 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: 0.002792835235595703 +elapsed time for initialization: 0.005335569381713867 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... @@ -8043,7 +8086,7 @@ iteration 52: trace = 5.548117725324874 (4.74016e-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: 0.18056535720825195 +elapsed time for k point: 0.40308403968811035 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -8294,7 +8337,7 @@ iteration 121: trace = 5.540497242579405 (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: 0.5338566303253174 +elapsed time for k point: 1.219747543334961 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -8351,7 +8394,7 @@ iteration 26: trace = 5.499374946276068 (6.759e-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: 0.11775732040405273 +elapsed time for k point: 0.26235461235046387 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -8404,7 +8447,7 @@ iteration 24: trace = 5.48545908008786 (6.15763e-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: 0.1088263988494873 +elapsed time for k point: 0.24162721633911133 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -8465,7 +8508,7 @@ iteration 28: trace = 5.504362091981045 (5.80892e-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: 0.12595605850219727 +elapsed time for k point: 0.2782151699066162 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -8550,7 +8593,7 @@ iteration 40: trace = 5.538866868600049 (9.99485e-11% change) Finished solving for bands 1 to 8 after 40 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: 0.19354009628295898 +elapsed time for k point: 0.38521695137023926 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -8621,7 +8664,7 @@ iteration 33: trace = 5.41979773295833 (8.29052e-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: 0.15690112113952637 +elapsed time for k point: 0.3271183967590332 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -8682,7 +8725,7 @@ iteration 28: trace = 5.240853948733921 (3.70127e-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: 0.12528634071350098 +elapsed time for k point: 0.2713477611541748 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -8735,7 +8778,7 @@ iteration 24: trace = 5.096544273410621 (7.59123e-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: 0.10802578926086426 +elapsed time for k point: 0.2374897003173828 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -8787,7 +8830,7 @@ iteration 23: trace = 5.00643649634139 (6.08862e-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: 0.10374307632446289 +elapsed time for k point: 0.22925996780395508 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -8839,7 +8882,7 @@ iteration 23: trace = 4.975984265381786 (5.44939e-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: 0.10312318801879883 +elapsed time for k point: 0.22833991050720215 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -8880,7 +8923,7 @@ iteration 18: trace = 5.036378479895263 (5.47046e-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: 0.08204364776611328 +elapsed time for k point: 0.18477439880371094 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -8927,7 +8970,7 @@ iteration 21: trace = 5.206566305891691 (3.92012e-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: 0.09508442878723145 +elapsed time for k point: 0.20916080474853516 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -8990,7 +9033,7 @@ iteration 29: trace = 5.417088766409222 (6.15501e-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: 0.12984156608581543 +elapsed time for k point: 0.2876424789428711 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -9063,7 +9106,7 @@ iteration 34: trace = 5.522267645664736 (5.17409e-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: 0.15163636207580566 +elapsed time for k point: 0.33742356300354004 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -9258,7 +9301,7 @@ iteration 93: trace = 5.548117725324985 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -.elapsed time for k point: 0.32015419006347656 +.elapsed time for k point: 0.6818075180053711 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489877 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497226764 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160889 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> @@ -9270,11 +9313,11 @@ Gap from band 2 (0.5931405141160889) to band 3 (0.5931535863117833), 0.002203870977633219% Gap from band 4 (0.8096891551677093) to band 5 (0.8241814443502165), 1.77398249124295% Gap from band 7 (1.0860729323744873) to band 8 (1.0878689635115244), 0.16523267162162025% -total elapsed time for run: 2.639939308166504 +total elapsed time for run: 5.791790962219238 done -/tmp/meepGWbq13/test_compute_group_velocity-0: 2.64s +/tmp/meepGSue4y/test_compute_group_velocity-0: 5.80s -/tmp/meepGWbq13/test_compute_integrals-0 +/tmp/meepGSue4y/test_compute_integrals-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -9317,7 +9360,7 @@ 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: 0.0028705596923828125 +elapsed time for initialization: 0.005072593688964844 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... @@ -9428,7 +9471,7 @@ iteration 52: trace = 5.548117725324874 (4.74016e-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: 0.18080639839172363 +elapsed time for k point: 0.3764476776123047 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -9679,7 +9722,7 @@ iteration 121: trace = 5.540497242579405 (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: 0.5355987548828125 +elapsed time for k point: 1.1727328300476074 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -9736,7 +9779,7 @@ iteration 26: trace = 5.499374946276068 (6.759e-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: 0.1170809268951416 +elapsed time for k point: 0.2485790252685547 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -9789,7 +9832,7 @@ iteration 24: trace = 5.48545908008786 (6.15763e-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: 0.10802507400512695 +elapsed time for k point: 0.22698545455932617 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -9850,7 +9893,7 @@ iteration 28: trace = 5.504362091981045 (5.80892e-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: 0.1254260540008545 +elapsed time for k point: 0.2709238529205322 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -9935,7 +9978,7 @@ iteration 40: trace = 5.538866868600049 (9.99485e-11% change) Finished solving for bands 1 to 8 after 40 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: 0.17808222770690918 +elapsed time for k point: 0.40787196159362793 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -10006,7 +10049,7 @@ iteration 33: trace = 5.41979773295833 (8.29052e-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: 0.14707231521606445 +elapsed time for k point: 0.3383481502532959 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10067,7 +10110,7 @@ iteration 28: trace = 5.240853948733921 (3.70127e-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: 0.1252150535583496 +elapsed time for k point: 0.3125908374786377 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10120,7 +10163,7 @@ iteration 24: trace = 5.096544273410621 (7.59123e-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: 0.10794878005981445 +elapsed time for k point: 0.27744102478027344 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10172,7 +10215,7 @@ iteration 23: trace = 5.00643649634139 (6.08862e-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: 0.10358166694641113 +elapsed time for k point: 0.2659878730773926 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10224,7 +10267,7 @@ iteration 23: trace = 4.975984265381786 (5.44939e-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: 0.10344505310058594 +elapsed time for k point: 0.26325035095214844 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10265,7 +10308,7 @@ iteration 18: trace = 5.036378479895263 (5.47046e-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: 0.0818641185760498 +elapsed time for k point: 0.21267008781433105 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10312,7 +10355,7 @@ iteration 21: trace = 5.206566305891691 (3.92012e-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: 0.09531354904174805 +elapsed time for k point: 0.24474859237670898 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10375,7 +10418,7 @@ iteration 29: trace = 5.417088766409222 (6.15501e-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: 0.13012480735778809 +elapsed time for k point: 0.33451271057128906 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10448,7 +10491,7 @@ iteration 34: trace = 5.522267645664736 (5.17409e-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: 0.15215468406677246 +elapsed time for k point: 0.38792896270751953 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -10643,7 +10686,7 @@ iteration 93: trace = 5.548117725324985 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.32323217391967773 +elapsed time for k point: 0.8202991485595703 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489877 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497226764 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160889 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> @@ -10655,14 +10698,14 @@ Gap from band 2 (0.5931405141160889) to band 3 (0.5931535863117833), 0.002203870977633219% Gap from band 4 (0.8096891551677093) to band 5 (0.8241814443502165), 1.77398249124295% Gap from band 7 (1.0860729323744873) to band 8 (1.0878689635115244), 0.16523267162162025% -total elapsed time for run: 2.618530035018921 +total elapsed time for run: 6.168338298797607 done Fixing h-field (band 8) phase by -1 + 2.59056e-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/meepGWbq13/test_compute_integrals-0: 2.62s +./tmp/meepGSue4y/test_compute_integrals-0: 6.18s -/tmp/meepGWbq13/test_diamond-0 +/tmp/meepGSue4y/test_diamond-0 ======================== Initializing eigensolver data Computing 5 bands with 1e-12 tolerance @@ -10722,7 +10765,7 @@ 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: 0.05269670486450195 +elapsed time for initialization: 0.10388946533203125 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... @@ -10839,7 +10882,7 @@ iteration 54: trace = 1.074849119575324 (7.09403e-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: 0.5305912494659424 +elapsed time for k point: 1.322272777557373 solve_kpoint (0,0.525,0.475): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -10913,7 +10956,7 @@ iteration 34: trace = 1.072165029269352 (4.88961e-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: 0.33645033836364746 +elapsed time for k point: 0.835174560546875 solve_kpoint (0,0.55,0.45): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -10978,7 +11021,7 @@ iteration 30: trace = 1.065499269609328 (4.31586e-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: 0.3200047016143799 +elapsed time for k point: 0.7337021827697754 solve_kpoint (0,0.575,0.425): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -11041,7 +11084,7 @@ iteration 29: trace = 1.057289565863228 (3.36861e-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: 0.2873694896697998 +elapsed time for k point: 0.7177667617797852 solve_kpoint (0,0.6,0.4): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -11102,7 +11145,7 @@ iteration 28: trace = 1.049127482148509 (7.79919e-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: 0.30010223388671875 +elapsed time for k point: 0.6820902824401855 solve_kpoint (0,0.625,0.375): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -11201,26 +11244,26 @@ iteration 45: trace = 1.041449455858893 (8.35346e-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: 0.4479405879974365 +elapsed time for k point: 1.069911241531372 Fixing d-field (band 1) phase by 0.997721 + 0.0674732i; max ampl. = 12.9762 D-energy-components:, 6, 1, 0.0477669, 0.476092, 0.476141 -Outputting /tmp/meepGWbq13/test_diamond-0-dpwr.k06.b01.h5... +Outputting /tmp/meepGSue4y/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 + 0.0674732i; max ampl. = 12.1515 D-energy-components:, 6, 2, 0.232067, 0.383937, 0.383996 -Outputting /tmp/meepGWbq13/test_diamond-0-dpwr.k06.b02.h5... +Outputting /tmp/meepGSue4y/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 0.0674732 + -0.997721i; max ampl. = 13.3616 D-energy-components:, 6, 3, 0.736337, 0.13197, 0.131693 -Outputting /tmp/meepGWbq13/test_diamond-0-dpwr.k06.b03.h5... +Outputting /tmp/meepGSue4y/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 + 0.0674732i; max ampl. = 7.97913 D-energy-components:, 6, 4, 0.11714, 0.441055, 0.441805 -Outputting /tmp/meepGWbq13/test_diamond-0-dpwr.k06.b04.h5... +Outputting /tmp/meepGSue4y/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 + -0.0674732i; max ampl. = 12.8979 D-energy-components:, 6, 5, 0.238579, 0.435371, 0.32605 -Outputting /tmp/meepGWbq13/test_diamond-0-dpwr.k06.b05.h5... +Outputting /tmp/meepGSue4y/test_diamond-0-dpwr.k06.b05.h5... D-energy-components:, 6, 5, 0.238579, 0.435371, 0.32605 solve_kpoint (0,0.6,0.3): Solving for bands 1 to 5... @@ -11315,7 +11358,7 @@ iteration 44: trace = 1.012177879712723 (7.98957e-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: 0.4306764602661133 +elapsed time for k point: 0.9456782341003418 solve_kpoint (0,0.575,0.225): Solving for bands 1 to 5... linmin: converged after 4 iterations. @@ -11524,7 +11567,7 @@ iteration 98: trace = 0.9843245962009872 (8.23031e-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: 0.9500546455383301 +elapsed time for k point: 2.3160758018493652 solve_kpoint (0,0.55,0.15): Solving for bands 1 to 5... linmin: converged after 4 iterations. @@ -11585,7 +11628,7 @@ iteration 28: trace = 0.9576556548415067 (3.50576e-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: 0.2831580638885498 +elapsed time for k point: 0.6866927146911621 solve_kpoint (0,0.525,0.075): Solving for bands 1 to 5... linmin: converged after 4 iterations. @@ -11644,7 +11687,7 @@ iteration 27: trace = 0.9411112540785541 (6.02823e-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: 0.2675926685333252 +elapsed time for k point: 0.6763274669647217 solve_kpoint (0,0.5,0): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -11699,7 +11742,7 @@ iteration 25: trace = 0.9357235187165454 (8.38252e-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: 0.2469785213470459 +elapsed time for k point: 0.6240863800048828 solve_kpoint (0,0.4,0): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -11750,7 +11793,7 @@ iteration 23: trace = 0.9457902789861149 (2.35241e-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: 0.22821426391601562 +elapsed time for k point: 0.5714430809020996 solve_kpoint (0,0.3,0): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -11803,7 +11846,7 @@ iteration 24: trace = 0.9752654193362962 (4.58198e-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: 0.2382800579071045 +elapsed time for k point: 0.5941281318664551 solve_kpoint (0,0.2,0): Solving for bands 1 to 5... linmin: converged after 7 iterations. @@ -11866,7 +11909,7 @@ iteration 29: trace = 1.01810313171719 (4.24634e-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: 0.28638601303100586 +elapsed time for k point: 0.7152130603790283 solve_kpoint (0,0.1,0): Solving for bands 1 to 5... linmin: converged after 13 iterations. @@ -11949,7 +11992,7 @@ iteration 39: trace = 1.053033028339033 (3.39699e-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: 0.39766860008239746 +elapsed time for k point: 0.9199190139770508 solve_kpoint (0,0,0): Solving for bands 3 to 5... linmin: converged after 7 iterations. @@ -12014,7 +12057,7 @@ iteration 30: trace = 1.064751564401208 (6.97362e-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: 0.16383743286132812 +elapsed time for k point: 0.36536502838134766 solve_kpoint (0,0.1,0.1): Solving for bands 1 to 5... linmin: converged after 8 iterations. @@ -12077,7 +12120,7 @@ iteration 29: trace = 1.0539009732219 (7.77229e-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: 0.2856166362762451 +elapsed time for k point: 0.6055562496185303 solve_kpoint (0,0.2,0.2): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -12146,7 +12189,7 @@ iteration 32: trace = 1.05069894559715 (7.02251e-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: 0.3161792755126953 +elapsed time for k point: 0.7425191402435303 solve_kpoint (0,0.3,0.3): Solving for bands 1 to 5... linmin: converged after 4 iterations. @@ -12556,7 +12599,7 @@ iteration 196: trace = 1.068626506457554 (2.50589e-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: 1.901993989944458 +elapsed time for k point: 3.9354164600372314 solve_kpoint (0,0.4,0.4): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -12793,7 +12836,7 @@ iteration 111: trace = 1.073945817633486 (7.47216e-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: 1.0770232677459717 +elapsed time for k point: 2.21390438079834 solve_kpoint (0,0.5,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -12874,7 +12917,7 @@ iteration 38: trace = 1.074849119556919 (9.57095e-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: 0.3775055408477783 +elapsed time for k point: 0.7658326625823975 solve_kpoint (0.05,0.55,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -12990,7 +13033,7 @@ iteration 54: trace = 1.07229592142945 (8.17735e-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: 0.528141975402832 +elapsed time for k point: 1.1092524528503418 solve_kpoint (0.1,0.6,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -13079,7 +13122,7 @@ iteration 41: trace = 1.068969912904174 (7.12266e-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: 0.40297579765319824 +elapsed time for k point: 0.8255612850189209 solve_kpoint (0.15,0.65,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -13171,7 +13214,7 @@ iteration 43: trace = 1.066421514875839 (5.37818e-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: 0.4223494529724121 +elapsed time for k point: 0.8739771842956543 solve_kpoint (0.2,0.7,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -13263,7 +13306,7 @@ iteration 42: trace = 1.064700418518055 (3.78312e-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: 0.4122493267059326 +elapsed time for k point: 0.8684811592102051 solve_kpoint (0.25,0.75,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -13422,7 +13465,7 @@ iteration 73: trace = 1.065402852836689 (7.35284e-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: 0.7100141048431396 +elapsed time for k point: 1.439333438873291 solve_kpoint (0.275,0.75,0.475): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -13511,7 +13554,7 @@ iteration 42: trace = 1.057545259395153 (4.76404e-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: 0.43688058853149414 +elapsed time for k point: 0.8248157501220703 solve_kpoint (0.3,0.75,0.45): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -13576,7 +13619,7 @@ iteration 30: trace = 1.048737747994243 (6.74346e-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: 0.3142738342285156 +elapsed time for k point: 0.5925462245941162 solve_kpoint (0.325,0.75,0.425): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -13647,7 +13690,7 @@ iteration 33: trace = 1.042055200585646 (5.93863e-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: 0.32632017135620117 +elapsed time for k point: 0.6555240154266357 solve_kpoint (0.35,0.75,0.4): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -13730,7 +13773,7 @@ iteration 39: trace = 1.039345693140003 (8.32978e-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: 0.38467836380004883 +elapsed time for k point: 0.768801212310791 solve_kpoint (0.375,0.75,0.375): Solving for bands 1 to 5... linmin: converged after 4 iterations. @@ -13846,18 +13889,18 @@ iteration 54: trace = 1.040877628560377 (8.59911e-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: 0.5284435749053955 +Felapsed time for k point: 1.0610756874084473 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.3945510747904869 at Vector3<0.25, 0.75, 0.5> Band 2 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.3967657985676837 at Vector3<0.3, 0.75, 0.45> Band 3 range: 0.44237077092750754 at Vector3<0.0, 0.5, 0.0> to 0.5955899543441988 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.44355516364013836 at Vector3<0.0, 0.5, 0.0> to 0.5958191247379799 at Vector3<0.0, 0.0, 0.0> Band 5 range: 0.5030135898269759 at Vector3<0.0, 0.6, 0.4> to 0.5958386872987961 at Vector3<0.0, 0.0, 0.0> Gap from band 2 (0.3967657985676837) to band 3 (0.44237077092750754), 10.86949943970597% -total elapsed time for run: 14.216294765472412 +total elapsed time for run: 31.20748782157898 done -/tmp/meepGWbq13/test_diamond-0: 14.22s +/tmp/meepGSue4y/test_diamond-0: 31.22s -/tmp/meepGWbq13/test_epsilon_input_file-0 +/tmp/meepGSue4y/test_epsilon_input_file-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -13899,7 +13942,7 @@ 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: 0.004377841949462891 +elapsed time for initialization: 0.0065708160400390625 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... @@ -14028,7 +14071,7 @@ iteration 61: trace = 5.414470666068264 (7.20126e-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: 0.21267127990722656 +elapsed time for k point: 0.4362332820892334 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -14077,7 +14120,7 @@ iteration 22: trace = 5.384693219081497 (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: 0.10209870338439941 +elapsed time for k point: 0.210784912109375 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -14120,7 +14163,7 @@ iteration 19: trace = 5.344827613715934 (7.50614e-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: 0.08690714836120605 +elapsed time for k point: 0.18156170845031738 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -14167,7 +14210,7 @@ iteration 21: trace = 5.332538776580061 (2.57666e-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: 0.09569573402404785 +elapsed time for k point: 0.20139002799987793 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -14220,7 +14263,7 @@ iteration 24: trace = 5.352151659035265 (5.8646e-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: 0.10865402221679688 +elapsed time for k point: 0.22893166542053223 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -14291,7 +14334,7 @@ iteration 33: trace = 5.378204986194202 (9.65927e-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: 0.14914155006408691 +elapsed time for k point: 0.30918359756469727 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -14346,7 +14389,7 @@ iteration 25: trace = 5.280991714818072 (8.74221e-11% change) Finished solving for bands 1 to 8 after 25 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.410728, 0.444341, 0.636537, 0.78389, 0.839813, 0.968201, 1.03809, 1.08391 -elapsed time for k point: 0.1128084659576416 +elapsed time for k point: 0.2372298240661621 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -14395,7 +14438,7 @@ iteration 22: trace = 5.121436678029979 (6.86238e-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: 0.09965062141418457 +elapsed time for k point: 0.20943641662597656 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -14434,7 +14477,7 @@ iteration 17: trace = 4.989265495381124 (5.01476e-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: 0.07759356498718262 +elapsed time for k point: 0.16301512718200684 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -14471,7 +14514,7 @@ iteration 16: trace = 4.906005206120701 (8.87815e-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: 0.07328534126281738 +elapsed time for k point: 0.1543445587158203 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -14508,7 +14551,7 @@ iteration 16: trace = 4.877776571705256 (7.50015e-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: 0.0732579231262207 +elapsed time for k point: 0.15478754043579102 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -14545,7 +14588,7 @@ iteration 16: trace = 4.933541210214674 (4.65554e-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: 0.07322430610656738 +elapsed time for k point: 0.15445327758789062 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -14590,7 +14633,7 @@ iteration 20: trace = 5.086788979299675 (3.48162e-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: 0.0909113883972168 +elapsed time for k point: 0.19163250923156738 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -14645,7 +14688,7 @@ iteration 25: trace = 5.263256512288836 (3.39526e-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: 0.11264181137084961 +elapsed time for k point: 0.23662734031677246 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -14704,7 +14747,7 @@ iteration 27: trace = 5.362887848881175 (8.61533e-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: 0.12164497375488281 +elapsed time for k point: 0.25536584854125977 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -14782,7 +14825,7 @@ iteration 36: trace = 5.414470666066691 (4.42246e-11% change) Finished solving for bands 2 to 8 after 36 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.554399, 0.761333, 0.761334, 0.894089, 0.998343, 0.998344, 1.07475 -F.elapsed time for k point: 0.12696337699890137 +F.elapsed time for k point: 0.25841307640075684 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4970977843772993 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4402896410505964 at Vector3<0.5, 0.0, 0.0> to 0.5781812856814899 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5781815082009814 at Vector3<0.5, 0.5, 0.0> to 0.7613327775255612 at Vector3<0.0, 0.0, 0.0> @@ -14794,15 +14837,15 @@ Gap from band 2 (0.5781812856814899) to band 3 (0.5781815082009814), 3.8486103613284535e-05% Gap from band 4 (0.8051999839699244) to band 5 (0.8170847453549143), 1.4651880980148324% Gap from band 7 (1.058030983248979) to band 8 (1.0660233597945297), 0.7525585747583696% -total elapsed time for run: 1.7226226329803467 +total elapsed time for run: 3.5916121006011963 done -/tmp/meepGWbq13/test_epsilon_input_file-0: 1.72s +/tmp/meepGSue4y/test_epsilon_input_file-0: 3.59s -/tmp/meepGWbq13/test_first_brillouin_zone-0 +/tmp/meepGSue4y/test_first_brillouin_zone-0 ======================== -/tmp/meepGWbq13/test_first_brillouin_zone-0: 0.14s +/tmp/meepGSue4y/test_first_brillouin_zone-0: 0.30s -/tmp/meepGWbq13/test_fractional_lattice-0 +/tmp/meepGSue4y/test_fractional_lattice-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -14845,7 +14888,7 @@ 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: 0.0003046989440917969 +elapsed time for initialization: 0.0005488395690917969 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... @@ -14854,144 +14897,143 @@ linmin: converged after 7 iterations. iteration 2: trace = 83.85049109174223 (11.9223% change) linmin: converged after 5 iterations. - switching to approximate line minimization (decrease time by 52.7473%) iteration 3: trace = 83.3461110942817 (0.603338% change) - iteration 4: trace = 83.33359978597117 (0.0150124% change) - iteration 5: trace = 83.33333949085062 (0.000312354% change) - iteration 6: trace = 83.3333335246606 (7.15943e-06% change) - iteration 7: trace = 83.33333333657075 (2.25708e-07% change) - iteration 8: trace = 83.33333333338291 (3.8254e-09% change) - iteration 9: trace = 83.33333333333468 (5.7878e-11% change) + linmin: converged after 5 iterations. + switching to approximate line minimization (decrease time by 51.6854%) + iteration 4: trace = 83.3335993018773 (0.015013% change) + iteration 5: trace = 83.33333948917726 (0.000311775% change) + iteration 6: trace = 83.33333352915554 (7.15203e-06% change) + iteration 7: trace = 83.33333333669557 (2.30952e-07% change) + iteration 8: trace = 83.33333333338201 (3.97627e-09% change) + iteration 9: trace = 83.33333333333452 (5.69912e-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: 0.0025255680084228516 +elapsed time for k point: 0.00403904914855957 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... - linmin: converged after 10 iterations. - iteration 1: trace = 82.33333333334654 (0.722248% change) + linmin: converged after 6 iterations. + iteration 1: trace = 82.33333333334556 (0.722249% change) linmin: converged after 2 iterations. - iteration 2: trace = 82.3333333333338 (1.54824e-11% change) + iteration 2: trace = 82.33333333333377 (1.43259e-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: 0.001514434814453125 +elapsed time for k point: 0.0026597976684570312 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. - iteration 1: trace = 82.66666666666671 (5.32907e-13% change) + iteration 1: trace = 82.66666666666669 (5.15717e-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: 0.0002868175506591797 +elapsed time for k point: 0.0005385875701904297 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. - iteration 1: trace = 84.33333333333333 (3.37016e-14% change) + iteration 1: trace = 84.33333333333334 (3.37016e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 4, 0.3, 0, 0, 3, 0.866025, 2.02073, 3.01386, 3.01386, 3.52373, 3.52373, 3.75278, 4.73462 -elapsed time for k point: 0.00029158592224121094 +elapsed time for k point: 0.0005156993865966797 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. - iteration 1: trace = 87.33333333333329 (4.88159e-14% change) + iteration 1: trace = 87.33333333333334 (3.25439e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 5, 0.4, 0, 0, 4, 1.1547, 1.73205, 3.10913, 3.10913, 3.3665, 3.3665, 4.04145, 4.96655 -elapsed time for k point: 0.0002903938293457031 +elapsed time for k point: 0.0005109310150146484 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... - linmin: converged after 6 iterations. - switching to approximate line minimization (decrease time by 54.3307%) - iteration 1: trace = 91.66666666666664 (0% change) + linmin: converged after 47 iterations. + iteration 1: trace = 91.66666666666667 (0% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 6, 0.5, 0, 0, 5, 1.44338, 1.44338, 3.22749, 3.22749, 3.22749, 3.22749, 4.33013, 5.20416 -elapsed time for k point: 0.00033092498779296875 +elapsed time for k point: 0.0012123584747314453 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... near maximum in trace - linmin: converged after 8 iterations. - switching to approximate line minimization (decrease time by 60.5442%) - iteration 1: trace = 90.66666666677224 (3.571% change) - iteration 2: trace = 90.66666784145588 (1.29561e-06% change) - iteration 3: trace = 90.66666666666723 (1.29572e-06% change) - iteration 4: trace = 90.66666666666669 (5.95602e-13% change) + linmin: converged after 9 iterations. + switching to approximate line minimization (decrease time by 65.6934%) + iteration 1: trace = 90.66666666667413 (3.571% change) + iteration 2: trace = 90.66666671016627 (4.79693e-08% change) + iteration 3: trace = 90.66666666666673 (4.79774e-08% change) + iteration 4: trace = 90.66666666666663 (1.09716e-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: 0.0005819797515869141 +elapsed time for k point: 0.001329183578491211 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. - iteration 1: trace = 91.00000000000001 (4.6849e-14% change) + iteration 1: trace = 91 (4.6849e-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: 0.0002796649932861328 +elapsed time for k point: 0.0005135536193847656 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... - linmin: converged after 42 iterations. - iteration 1: trace = 92.66666666666666 (3.06709e-14% change) + linmin: converged after 1 iterations. + iteration 1: trace = 92.66666666666663 (4.60064e-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: 0.0006299018859863281 +elapsed time for k point: 0.0005035400390625 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. - iteration 1: trace = 95.66666666666664 (2.97091e-14% change) + 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: 0.0002741813659667969 +elapsed time for k point: 0.0005230903625488281 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. - iteration 1: trace = 100 (0% change) + iteration 1: trace = 99.99999999999996 (2.84217e-14% 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: 0.00026988983154296875 +elapsed time for k point: 0.0005078315734863281 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. - iteration 1: trace = 91.33333333333333 (0% change) + iteration 1: trace = 91.33333333333334 (1.55593e-14% 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: 0.00027179718017578125 +elapsed time for k point: 0.0005059242248535156 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... - linmin: converged after 44 iterations. - switching to approximate line minimization (decrease time by 87.7778%) - iteration 1: trace = 85.33333333333333 (1.66533e-14% change) + linmin: converged after 4 iterations. + iteration 1: trace = 85.33333333333333 (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: 0.0006537437438964844 +elapsed time for k point: 0.0005543231964111328 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... - linmin: converged after 3 iterations. - iteration 1: trace = 81.99999999999997 (1.73303e-14% change) + linmin: converged after 6 iterations. + iteration 1: trace = 81.99999999999997 (3.46606e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 14, 0.2, 0.2, 0, 2.82843, 0.816497, 2.38048, 2.38048, 3.26599, 3.51188, 3.51188, 4.16333, 4.16333 -elapsed time for k point: 0.00029397010803222656 +elapsed time for k point: 0.0006365776062011719 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... - linmin: converged after 5 iterations. - iteration 1: trace = 81.3333333333333 (5.24171e-14% change) + linmin: converged after 3 iterations. + iteration 1: trace = 81.33333333333334 (0% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 15, 0.1, 0.1, 0, 1.41421, 0.408248, 2.61406, 2.61406, 3.18852, 3.18852, 3.67423, 4.10284, 4.10284 -elapsed time for k point: 0.000308990478515625 +elapsed time for k point: 0.00054168701171875 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 3 iterations. - iteration 1: trace = 83.33333333333334 (3.41061e-14% change) + iteration 1: trace = 83.33333333333331 (3.41061e-14% change) Finished solving for bands 2 to 8 after 1 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 2.88675, 2.88675, 2.88675, 2.88675, 4.08248, 4.08248, 4.08248 -.elapsed time for k point: 0.0002758502960205078 -Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 2.0412414523193134 at Vector3<0.5, 0.5, 0.0> -Band 2 range: 1.4433756729740652 at Vector3<0.5, 0.0, 0.0> to 2.886751345948134 at Vector3<0.0, 0.0, 0.0> -Band 3 range: 2.0412414523193148 at Vector3<0.5, 0.5, 0.0> to 3.2274861218395126 at Vector3<0.5, 0.0, 0.0> -Band 4 range: 2.0412414523193156 at Vector3<0.5, 0.5, 0.0> to 3.265986323710902 at Vector3<0.19999999999999996, 0.19999999999999996, 0.0> -Band 5 range: 2.8867513459481295 at Vector3<0.0, 0.0, 0.0> to 4.564354645876382 at Vector3<0.5, 0.5, 0.0> -Band 6 range: 3.2274861218395166 at Vector3<0.5, 0.0, 0.0> to 4.564354645876383 at Vector3<0.5, 0.5, 0.0> -Band 7 range: 3.696845502136472 at Vector3<0.2, 0.0, 0.0> to 4.564354645876384 at Vector3<0.5, 0.5, 0.0> -Band 8 range: 4.08248290463863 at Vector3<0.0, 0.0, 0.0> to 5.204164998665332 at Vector3<0.5, 0.0, 0.0> -total elapsed time for run: 0.009816169738769531 +.elapsed time for k point: 0.0004813671112060547 +Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 2.0412414523193148 at Vector3<0.5, 0.5, 0.0> +Band 2 range: 1.443375672974064 at Vector3<0.5, 0.0, 0.0> to 2.8867513459481287 at Vector3<0.0, 0.0, 0.0> +Band 3 range: 2.041241452319316 at Vector3<0.5, 0.5, 0.0> to 3.227486121839513 at Vector3<0.5, 0.0, 0.0> +Band 4 range: 2.041241452319317 at Vector3<0.5, 0.5, 0.0> to 3.2659863237109046 at Vector3<0.19999999999999996, 0.19999999999999996, 0.0> +Band 5 range: 2.88675134594813 at Vector3<0.0, 0.0, 0.0> to 4.564354645876383 at Vector3<0.5, 0.5, 0.0> +Band 6 range: 3.2274861218395157 at Vector3<0.5, 0.0, 0.0> to 4.564354645876384 at Vector3<0.5, 0.5, 0.0> +Band 7 range: 3.696845502136472 at Vector3<0.2, 0.0, 0.0> to 4.564354645876385 at Vector3<0.5, 0.5, 0.0> +Band 8 range: 4.082482904638632 at Vector3<0.0, 0.0, 0.0> to 5.204164998665332 at Vector3<0.5, 0.0, 0.0> +total elapsed time for run: 0.01678156852722168 done -/tmp/meepGWbq13/test_fractional_lattice-0: 0.01s +/tmp/meepGSue4y/test_fractional_lattice-0: 0.02s -/tmp/meepGWbq13/test_get_bfield-0 +/tmp/meepGSue4y/test_get_bfield-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -15034,7 +15076,7 @@ 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: 0.002884387969970703 +elapsed time for initialization: 0.0050122737884521484 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... @@ -15145,7 +15187,7 @@ iteration 52: trace = 5.548117725324874 (4.74016e-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: 0.18145012855529785 +elapsed time for k point: 0.37107300758361816 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -15396,7 +15438,7 @@ iteration 121: trace = 5.540497242579405 (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: 0.5372278690338135 +elapsed time for k point: 1.1370532512664795 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -15453,7 +15495,7 @@ iteration 26: trace = 5.499374946276068 (6.759e-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: 0.11755990982055664 +elapsed time for k point: 0.2548208236694336 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -15506,7 +15548,7 @@ iteration 24: trace = 5.48545908008786 (6.15763e-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: 0.10838890075683594 +elapsed time for k point: 0.24353528022766113 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -15567,7 +15609,7 @@ iteration 28: trace = 5.504362091981045 (5.80892e-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: 0.12593531608581543 +elapsed time for k point: 0.2685275077819824 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -15652,7 +15694,7 @@ iteration 40: trace = 5.538866868600049 (9.99485e-11% change) Finished solving for bands 1 to 8 after 40 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: 0.17850303649902344 +elapsed time for k point: 0.37873268127441406 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -15723,7 +15765,7 @@ iteration 33: trace = 5.41979773295833 (8.29052e-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: 0.1479511260986328 +elapsed time for k point: 0.3204195499420166 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -15784,7 +15826,7 @@ iteration 28: trace = 5.240853948733921 (3.70127e-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: 0.12575793266296387 +elapsed time for k point: 0.27083730697631836 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -15837,7 +15879,7 @@ iteration 24: trace = 5.096544273410621 (7.59123e-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: 0.10841178894042969 +elapsed time for k point: 0.26262831687927246 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -15889,7 +15931,7 @@ iteration 23: trace = 5.00643649634139 (6.08862e-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: 0.10404491424560547 +elapsed time for k point: 0.21786284446716309 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -15941,7 +15983,7 @@ iteration 23: trace = 4.975984265381786 (5.44939e-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: 0.10374164581298828 +elapsed time for k point: 0.22070646286010742 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -15982,7 +16024,7 @@ iteration 18: trace = 5.036378479895263 (5.47046e-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: 0.08198857307434082 +elapsed time for k point: 0.17626047134399414 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -16029,7 +16071,7 @@ iteration 21: trace = 5.206566305891691 (3.92012e-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: 0.0955955982208252 +elapsed time for k point: 0.20609331130981445 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -16092,7 +16134,7 @@ iteration 29: trace = 5.417088766409222 (6.15501e-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: 0.1319277286529541 +elapsed time for k point: 0.29083919525146484 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -16165,7 +16207,7 @@ iteration 34: trace = 5.522267645664736 (5.17409e-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: 0.15296149253845215 +elapsed time for k point: 0.33130693435668945 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -16360,7 +16402,7 @@ iteration 93: trace = 5.548117725324985 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.32358741760253906 +elapsed time for k point: 0.8261158466339111 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489877 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497226764 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160889 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> @@ -16372,12 +16414,12 @@ Gap from band 2 (0.5931405141160889) to band 3 (0.5931535863117833), 0.002203870977633219% Gap from band 4 (0.8096891551677093) to band 5 (0.8241814443502165), 1.77398249124295% Gap from band 7 (1.0860729323744873) to band 8 (1.0878689635115244), 0.16523267162162025% -total elapsed time for run: 2.628857135772705 +total elapsed time for run: 5.783655405044556 done Fixing b-field (band 8) phase by -1 + 2.59056e-07i; max ampl. = 4.48388 -./tmp/meepGWbq13/test_get_bfield-0: 2.63s +./tmp/meepGSue4y/test_get_bfield-0: 5.79s -/tmp/meepGWbq13/test_get_dfield-0 +/tmp/meepGSue4y/test_get_dfield-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -16420,7 +16462,7 @@ 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: 0.0028705596923828125 +elapsed time for initialization: 0.006016731262207031 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... @@ -16531,7 +16573,7 @@ iteration 52: trace = 5.548117725324874 (4.74016e-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: 0.18243861198425293 +elapsed time for k point: 0.4582955837249756 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -16782,7 +16824,7 @@ iteration 121: trace = 5.540497242579405 (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: 0.532630205154419 +elapsed time for k point: 1.3392491340637207 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -16839,7 +16881,7 @@ iteration 26: trace = 5.499374946276068 (6.759e-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: 0.11694931983947754 +elapsed time for k point: 0.27863073348999023 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -16892,7 +16934,7 @@ iteration 24: trace = 5.48545908008786 (6.15763e-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: 0.10795259475708008 +elapsed time for k point: 0.256253719329834 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -16953,7 +16995,7 @@ iteration 28: trace = 5.504362091981045 (5.80892e-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: 0.12514853477478027 +elapsed time for k point: 0.2972280979156494 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17038,7 +17080,7 @@ iteration 40: trace = 5.538866868600049 (9.99485e-11% change) Finished solving for bands 1 to 8 after 40 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: 0.17788338661193848 +elapsed time for k point: 0.43961572647094727 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -17109,7 +17151,7 @@ iteration 33: trace = 5.41979773295833 (8.29052e-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: 0.14726805686950684 +elapsed time for k point: 0.3459134101867676 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17170,7 +17212,7 @@ iteration 28: trace = 5.240853948733921 (3.70127e-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: 0.12677216529846191 +elapsed time for k point: 0.2965998649597168 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17223,7 +17265,7 @@ iteration 24: trace = 5.096544273410621 (7.59123e-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: 0.10836148262023926 +elapsed time for k point: 0.2678241729736328 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17275,7 +17317,7 @@ iteration 23: trace = 5.00643649634139 (6.08862e-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: 0.10389876365661621 +elapsed time for k point: 0.2554636001586914 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17327,7 +17369,7 @@ iteration 23: trace = 4.975984265381786 (5.44939e-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: 0.10320496559143066 +elapsed time for k point: 0.2576935291290283 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17368,7 +17410,7 @@ iteration 18: trace = 5.036378479895263 (5.47046e-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: 0.08186101913452148 +elapsed time for k point: 0.20037555694580078 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17415,7 +17457,7 @@ iteration 21: trace = 5.206566305891691 (3.92012e-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: 0.0950932502746582 +elapsed time for k point: 0.2154397964477539 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17478,7 +17520,7 @@ iteration 29: trace = 5.417088766409222 (6.15501e-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: 0.12955713272094727 +elapsed time for k point: 0.29175353050231934 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17551,7 +17593,7 @@ iteration 34: trace = 5.522267645664736 (5.17409e-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: 0.15155816078186035 +elapsed time for k point: 0.3389580249786377 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -17746,7 +17788,7 @@ iteration 93: trace = 5.548117725324985 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.321535587310791 +elapsed time for k point: 0.6871011257171631 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489877 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497226764 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160889 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> @@ -17758,12 +17800,12 @@ Gap from band 2 (0.5931405141160889) to band 3 (0.5931535863117833), 0.002203870977633219% Gap from band 4 (0.8096891551677093) to band 5 (0.8241814443502165), 1.77398249124295% Gap from band 7 (1.0860729323744873) to band 8 (1.0878689635115244), 0.16523267162162025% -total elapsed time for run: 2.6158761978149414 +total elapsed time for run: 6.2342753410339355 done Fixing d-field (band 8) phase by 2.59056e-07 + 1i; max ampl. = 8.66842 -./tmp/meepGWbq13/test_get_dfield-0: 2.62s +./tmp/meepGSue4y/test_get_dfield-0: 6.24s -/tmp/meepGWbq13/test_get_efield-0 +/tmp/meepGSue4y/test_get_efield-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -17806,7 +17848,7 @@ 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: 0.0028650760650634766 +elapsed time for initialization: 0.005152702331542969 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... @@ -17917,7 +17959,7 @@ iteration 52: trace = 5.548117725324874 (4.74016e-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: 0.18115925788879395 +elapsed time for k point: 0.3866844177246094 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -18168,7 +18210,7 @@ iteration 121: trace = 5.540497242579405 (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: 0.5383145809173584 +elapsed time for k point: 1.1673645973205566 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -18225,7 +18267,7 @@ iteration 26: trace = 5.499374946276068 (6.759e-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: 0.11770844459533691 +elapsed time for k point: 0.25485920906066895 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -18278,7 +18320,7 @@ iteration 24: trace = 5.48545908008786 (6.15763e-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: 0.10866236686706543 +elapsed time for k point: 0.25270891189575195 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -18339,7 +18381,7 @@ iteration 28: trace = 5.504362091981045 (5.80892e-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: 0.12607860565185547 +elapsed time for k point: 0.28787970542907715 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -18424,7 +18466,7 @@ iteration 40: trace = 5.538866868600049 (9.99485e-11% change) Finished solving for bands 1 to 8 after 40 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: 0.17925429344177246 +elapsed time for k point: 0.3891451358795166 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -18495,7 +18537,7 @@ iteration 33: trace = 5.41979773295833 (8.29052e-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: 0.14792108535766602 +elapsed time for k point: 0.325045108795166 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -18556,7 +18598,7 @@ iteration 28: trace = 5.240853948733921 (3.70127e-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: 0.12583398818969727 +elapsed time for k point: 0.283646821975708 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -18609,7 +18651,7 @@ iteration 24: trace = 5.096544273410621 (7.59123e-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: 0.10867881774902344 +elapsed time for k point: 0.2683281898498535 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -18661,7 +18703,7 @@ iteration 23: trace = 5.00643649634139 (6.08862e-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: 0.10435676574707031 +elapsed time for k point: 0.24480485916137695 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -18713,7 +18755,7 @@ iteration 23: trace = 4.975984265381786 (5.44939e-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: 0.10366392135620117 +elapsed time for k point: 0.24754738807678223 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -18754,7 +18796,7 @@ iteration 18: trace = 5.036378479895263 (5.47046e-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: 0.082061767578125 +elapsed time for k point: 0.19550132751464844 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -18801,7 +18843,7 @@ iteration 21: trace = 5.206566305891691 (3.92012e-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: 0.09542346000671387 +elapsed time for k point: 0.2366948127746582 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -18864,7 +18906,7 @@ iteration 29: trace = 5.417088766409222 (6.15501e-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: 0.13022089004516602 +elapsed time for k point: 0.3357839584350586 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -18937,7 +18979,7 @@ iteration 34: trace = 5.522267645664736 (5.17409e-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: 0.15242385864257812 +elapsed time for k point: 0.3906431198120117 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -19132,7 +19174,7 @@ iteration 93: trace = 5.548117725324985 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.32294297218322754 +elapsed time for k point: 0.8057646751403809 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489877 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497226764 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160889 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> @@ -19144,12 +19186,12 @@ Gap from band 2 (0.5931405141160889) to band 3 (0.5931535863117833), 0.002203870977633219% Gap from band 4 (0.8096891551677093) to band 5 (0.8241814443502165), 1.77398249124295% Gap from band 7 (1.0860729323744873) to band 8 (1.0878689635115244), 0.16523267162162025% -total elapsed time for run: 2.6285510063171387 +total elapsed time for run: 6.079341411590576 done Fixing e-field (band 8) phase by 2.59056e-07 + 1i; max ampl. = 1.10099 -./tmp/meepGWbq13/test_get_efield-0: 2.63s +./tmp/meepGSue4y/test_get_efield-0: 6.09s -/tmp/meepGWbq13/test_get_eigenvectors-0 +/tmp/meepGSue4y/test_get_eigenvectors-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -19192,7 +19234,7 @@ 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: 0.0028831958770751953 +elapsed time for initialization: 0.006142139434814453 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... @@ -19303,7 +19345,7 @@ iteration 52: trace = 5.548117725324874 (4.74016e-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: 0.1813809871673584 +elapsed time for k point: 0.4527623653411865 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 @@ -19562,7 +19604,7 @@ iteration 121: trace = 5.540497242579404 (3.79766e-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: 0.534886360168457 +elapsed time for k point: 1.3344318866729736 Fixing h-field (band 1) phase by -1 + 2.59196e-07i; max ampl. = 1.02721 Fixing h-field (band 2) phase by -0.999999 + 0.00113305i; max ampl. = 5.09036 Fixing h-field (band 3) phase by 0.00042147 + -1i; max ampl. = 3.73536 @@ -19627,7 +19669,7 @@ iteration 26: trace = 5.499374946276076 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.1172184944152832 +elapsed time for k point: 0.2823512554168701 Fixing h-field (band 1) phase by 1 + -4.11211e-12i; max ampl. = 1.11365 Fixing h-field (band 2) phase by -1 + 5.18691e-09i; max ampl. = 4.92243 Fixing h-field (band 3) phase by -1.10145e-09 + 1i; max ampl. = 2.65638 @@ -19688,7 +19730,7 @@ 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: 0.1082761287689209 +elapsed time for k point: 0.272216796875 Fixing h-field (band 1) phase by 1 + 7.27662e-16i; max ampl. = 1.27437 Fixing h-field (band 2) phase by -1 + -7.75672e-14i; max ampl. = 4.45322 Fixing h-field (band 3) phase by 1 + 2.58731e-13i; max ampl. = 2.62315 @@ -19757,7 +19799,7 @@ iteration 28: trace = 5.504362091981032 (5.83636e-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: 0.12640619277954102 +elapsed time for k point: 0.30145764350891113 Fixing h-field (band 1) phase by 1 + -8.61367e-18i; max ampl. = 1.5052 Fixing h-field (band 2) phase by -1 + 2.17749e-14i; max ampl. = 3.59052 Fixing h-field (band 3) phase by -1 + -8.71241e-16i; max ampl. = 3.69829 @@ -19858,7 +19900,7 @@ iteration 44: trace = 5.538866868553973 (9.64849e-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: 0.19553804397583008 +elapsed time for k point: 0.46311402320861816 Fixing h-field (band 1) phase by 1 + -2.17709e-16i; max ampl. = 1.38878 Fixing h-field (band 2) phase by 1 + -9.39832e-16i; max ampl. = 3.48407 Fixing h-field (band 3) phase by 1 + 3.36734e-15i; max ampl. = 4.1103 @@ -19937,7 +19979,7 @@ iteration 33: trace = 5.419797732958386 (9.13285e-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: 0.14765119552612305 +elapsed time for k point: 0.35035037994384766 Fixing h-field (band 1) phase by 1 + 9.26554e-17i; max ampl. = 1.39153 Fixing h-field (band 2) phase by -1 + 2.48815e-13i; max ampl. = 3.54504 Fixing h-field (band 3) phase by 1 + -3.24415e-13i; max ampl. = 3.95334 @@ -20006,7 +20048,7 @@ iteration 28: trace = 5.240853948733919 (3.68771e-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: 0.12588953971862793 +elapsed time for k point: 0.3017904758453369 Fixing h-field (band 1) phase by 1 + 1.45418e-15i; max ampl. = 1.40192 Fixing h-field (band 2) phase by -1 + 1.63045e-12i; max ampl. = 3.73151 Fixing h-field (band 3) phase by 1 + -1.06411e-12i; max ampl. = 3.50756 @@ -20067,7 +20109,7 @@ iteration 24: trace = 5.096544273410628 (7.58252e-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: 0.10800576210021973 +elapsed time for k point: 0.25871944427490234 Fixing h-field (band 1) phase by -1 + 7.72062e-13i; max ampl. = 4.05119 Fixing h-field (band 2) phase by 1 + -1.00345e-15i; max ampl. = 1.42991 Fixing h-field (band 3) phase by -1 + -1.78409e-13i; max ampl. = 2.78416 @@ -20127,7 +20169,7 @@ iteration 23: trace = 5.006436496341387 (6.09039e-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: 0.10408306121826172 +elapsed time for k point: 0.2448136806488037 Fixing h-field (band 1) phase by 1 + 3.42127e-16i; max ampl. = 4.46619 Fixing h-field (band 2) phase by 1 + 6.14564e-12i; max ampl. = 1.51506 Fixing h-field (band 3) phase by 1 + 2.28033e-15i; max ampl. = 1.66014 @@ -20187,7 +20229,7 @@ iteration 23: trace = 4.975984265381785 (5.45296e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.1035912036895752 +elapsed time for k point: 0.24523401260375977 Fixing h-field (band 1) phase by 1 + 7.36552e-17i; max ampl. = 4.70977 Fixing h-field (band 2) phase by 1 + 4.17197e-14i; max ampl. = 1.38038 Fixing h-field (band 3) phase by -4.06954e-14 + 1i; max ampl. = 1.85505 @@ -20236,7 +20278,7 @@ iteration 18: trace = 5.036378479895267 (5.46869e-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: 0.08206963539123535 +elapsed time for k point: 0.20434045791625977 Fixing h-field (band 1) phase by 1 + -7.70041e-17i; max ampl. = 3.59873 Fixing h-field (band 2) phase by 1 + 7.53608e-17i; max ampl. = 3.10702 Fixing h-field (band 3) phase by 3.40781e-10 + -1i; max ampl. = 1.92561 @@ -20291,7 +20333,7 @@ iteration 21: trace = 5.206566305891689 (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: 0.09495282173156738 +elapsed time for k point: 0.2398693561553955 Fixing h-field (band 1) phase by 1 + -5.58261e-17i; max ampl. = 1.81199 Fixing h-field (band 2) phase by -1 + -2.34457e-16i; max ampl. = 4.51433 Fixing h-field (band 3) phase by -7.66503e-10 + 1i; max ampl. = 2.16532 @@ -20362,7 +20404,7 @@ iteration 29: trace = 5.417088766409226 (6.14025e-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: 0.1300969123840332 +elapsed time for k point: 0.32806396484375 Fixing h-field (band 1) phase by 1 + 7.83277e-17i; max ampl. = 1.2604 Fixing h-field (band 2) phase by -1 + -6.80442e-15i; max ampl. = 4.86397 Fixing h-field (band 3) phase by -1.77698e-10 + 1i; max ampl. = 2.6696 @@ -20443,7 +20485,7 @@ iteration 34: trace = 5.522267645664738 (5.17409e-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: 0.15511655807495117 +elapsed time for k point: 0.3771493434906006 Fixing h-field (band 1) phase by 1 + -2.24746e-16i; max ampl. = 1.05606 Fixing h-field (band 2) phase by -1 + -8.20455e-15i; max ampl. = 5.06002 Fixing h-field (band 3) phase by 6.41721e-11 + 1i; max ampl. = 3.59476 @@ -20646,7 +20688,7 @@ iteration 93: trace = 5.548117725325008 (3.72361e-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: 0.3235163688659668 +elapsed time for k point: 0.6958017349243164 Fixing h-field (band 1) phase by 1 + -0i; max ampl. = 1 Fixing h-field (band 2) phase by 1 + 1.25583e-14i; max ampl. = 5.12967 Fixing h-field (band 3) phase by 5.68529e-12 + -1i; max ampl. = 4.27896 @@ -20666,11 +20708,11 @@ Gap from band 2 (0.5931405141160888) to band 3 (0.5931535863117834), 0.0022038709776706538% Gap from band 4 (0.8096891551677092) to band 5 (0.824181444350217), 1.773982491243031% Gap from band 7 (1.0860729323594136) to band 8 (1.0878689635052707), 0.16523267243467563% -total elapsed time for run: 2.6578192710876465 +total elapsed time for run: 6.391287565231323 done -/tmp/meepGWbq13/test_get_eigenvectors-0: 2.69s +/tmp/meepGSue4y/test_get_eigenvectors-0: 6.43s -/tmp/meepGWbq13/test_get_hfield-0 +/tmp/meepGSue4y/test_get_hfield-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -20713,7 +20755,7 @@ 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: 0.0029265880584716797 +elapsed time for initialization: 0.005181789398193359 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... @@ -20824,7 +20866,7 @@ iteration 52: trace = 5.548117725324874 (4.74016e-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: 0.18277740478515625 +elapsed time for k point: 0.37160801887512207 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -21075,7 +21117,7 @@ iteration 121: trace = 5.540497242579405 (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: 0.5331487655639648 +elapsed time for k point: 1.1317248344421387 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21132,7 +21174,7 @@ iteration 26: trace = 5.499374946276068 (6.759e-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: 0.11713147163391113 +elapsed time for k point: 0.24695420265197754 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21185,7 +21227,7 @@ iteration 24: trace = 5.48545908008786 (6.15763e-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: 0.11131072044372559 +elapsed time for k point: 0.22748851776123047 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21246,7 +21288,7 @@ iteration 28: trace = 5.504362091981045 (5.80892e-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: 0.12929487228393555 +elapsed time for k point: 0.26391172409057617 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21331,7 +21373,7 @@ iteration 40: trace = 5.538866868600049 (9.99485e-11% change) Finished solving for bands 1 to 8 after 40 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: 0.18187904357910156 +elapsed time for k point: 0.38069748878479004 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -21402,7 +21444,7 @@ iteration 33: trace = 5.41979773295833 (8.29052e-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: 0.14974761009216309 +elapsed time for k point: 0.3541224002838135 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21463,7 +21505,7 @@ iteration 28: trace = 5.240853948733921 (3.70127e-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: 0.1268467903137207 +elapsed time for k point: 0.3162112236022949 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21516,7 +21558,7 @@ iteration 24: trace = 5.096544273410621 (7.59123e-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: 0.10939717292785645 +elapsed time for k point: 0.27271580696105957 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21568,7 +21610,7 @@ iteration 23: trace = 5.00643649634139 (6.08862e-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: 0.10480618476867676 +elapsed time for k point: 0.26436543464660645 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21620,7 +21662,7 @@ iteration 23: trace = 4.975984265381786 (5.44939e-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: 0.10417437553405762 +elapsed time for k point: 0.2855405807495117 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21661,7 +21703,7 @@ iteration 18: trace = 5.036378479895263 (5.47046e-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: 0.08310532569885254 +elapsed time for k point: 0.2033226490020752 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21708,7 +21750,7 @@ iteration 21: trace = 5.206566305891691 (3.92012e-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: 0.09947657585144043 +elapsed time for k point: 0.23726201057434082 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21771,7 +21813,7 @@ iteration 29: trace = 5.417088766409222 (6.15501e-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: 0.13234615325927734 +elapsed time for k point: 0.31352949142456055 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21844,7 +21886,7 @@ iteration 34: trace = 5.522267645664736 (5.17409e-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: 0.15478110313415527 +elapsed time for k point: 0.34124016761779785 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -22039,7 +22081,7 @@ iteration 93: trace = 5.548117725324985 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.3271493911743164 +elapsed time for k point: 0.6830887794494629 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489877 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497226764 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160889 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> @@ -22051,12 +22093,12 @@ Gap from band 2 (0.5931405141160889) to band 3 (0.5931535863117833), 0.002203870977633219% Gap from band 4 (0.8096891551677093) to band 5 (0.8241814443502165), 1.77398249124295% Gap from band 7 (1.0860729323744873) to band 8 (1.0878689635115244), 0.16523267162162025% -total elapsed time for run: 2.651446580886841 +total elapsed time for run: 5.900757074356079 done Fixing h-field (band 8) phase by -1 + 2.59056e-07i; max ampl. = 4.48388 -./tmp/meepGWbq13/test_get_hfield-0: 2.66s +./tmp/meepGSue4y/test_get_hfield-0: 5.91s -/tmp/meepGWbq13/test_handle_cvector-0 +/tmp/meepGSue4y/test_handle_cvector-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -22099,7 +22141,7 @@ 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: 0.0030770301818847656 +elapsed time for initialization: 0.005829334259033203 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... @@ -22154,7 +22196,7 @@ iteration 24: trace = 4.577894626572786 (4.46816e-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: 0.0870826244354248 +elapsed time for k point: 0.18192410469055176 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -22195,7 +22237,7 @@ iteration 18: trace = 4.546667003404457 (4.24489e-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: 0.08336591720581055 +elapsed time for k point: 0.17949485778808594 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22230,7 +22272,7 @@ iteration 15: trace = 4.456771796562712 (4.07941e-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: 0.06916046142578125 +elapsed time for k point: 0.14996933937072754 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22263,7 +22305,7 @@ iteration 14: trace = 4.364565233298257 (3.14404e-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: 0.06510090827941895 +elapsed time for k point: 0.14204812049865723 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22294,7 +22336,7 @@ iteration 13: trace = 4.304069964437605 (7.18538e-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: 0.0612032413482666 +elapsed time for k point: 0.1314394474029541 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22325,7 +22367,7 @@ iteration 13: trace = 4.283477065616431 (4.14492e-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: 0.06060481071472168 +elapsed time for k point: 0.13169217109680176 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22354,7 +22396,7 @@ iteration 12: trace = 4.264474631199774 (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: 0.05622982978820801 +elapsed time for k point: 0.12515020370483398 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22383,7 +22425,7 @@ iteration 12: trace = 4.228595652264469 (8.17059e-12% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.265671, 0.453801, 0.535912, 0.761319, 0.795166, 0.866056, 0.869135, 0.973413 -elapsed time for k point: 0.056214094161987305 +elapsed time for k point: 0.12400102615356445 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22408,7 +22450,7 @@ iteration 10: trace = 4.196577821229713 (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: 0.047498464584350586 +elapsed time for k point: 0.10426902770996094 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22433,7 +22475,7 @@ iteration 10: trace = 4.175651761333514 (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: 0.04773592948913574 +elapsed time for k point: 0.1046297550201416 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -22456,7 +22498,7 @@ iteration 9: trace = 4.168411689609144 (8.91074e-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: 0.043096065521240234 +elapsed time for k point: 0.0942683219909668 Fixing e-field (band 1) phase by -1 + 4.11972e-08i; max ampl. = 0.93911 Fixing e-field (band 2) phase by -4.11972e-08 + -1i; max ampl. = 1.08316 Fixing e-field (band 3) phase by 1 + -4.11972e-08i; max ampl. = 0.877953 @@ -22491,7 +22533,7 @@ iteration 11: trace = 4.197854050309301 (1.33718e-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: 0.05228018760681152 +elapsed time for k point: 0.11846685409545898 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22520,7 +22562,7 @@ iteration 12: trace = 4.283266488990683 (1.11767e-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: 0.05687260627746582 +elapsed time for k point: 0.12531471252441406 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -22551,7 +22593,7 @@ iteration 13: trace = 4.410102274545242 (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: 0.06157207489013672 +elapsed time for k point: 0.15679311752319336 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22590,7 +22632,7 @@ iteration 17: trace = 4.534517622757207 (7.8407e-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: 0.07797050476074219 +elapsed time for k point: 0.20512747764587402 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. @@ -22627,7 +22669,7 @@ iteration 16: trace = 4.577894626572483 (2.55905e-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: 0.059123992919921875 +elapsed time for k point: 0.15108036994934082 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2746902258623629 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.44533108084715833 at Vector3<0.0, 0.5, 0.0> to 0.5605181423162844 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.49023891490276683 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.5605607947797752 at Vector3<0.0, 0.0, 0.0> @@ -22641,7 +22683,7 @@ Gap from band 4 (0.79071959744437) to band 5 (0.7908320763327578), 0.014223865113315824% Gap from band 5 (0.8374511167537574) to band 6 (0.8375948528443272), 0.017162047272568082% Gap from band 6 (0.8672009264903449) to band 7 (0.8691349955739198), 0.2227759109280675% -total elapsed time for run: 0.9914069175720215 +total elapsed time for run: 2.2379302978515625 done Read lattice vectors Read Bloch wavevector (-0.333333, 0.333333, 0) @@ -22659,9 +22701,9 @@ imag part range: -6.6866e-33 .. 6.6866e-33 real part range: -1.03932 .. 1.03493 imag part range: -1.08496 .. 1.08496 -./tmp/meepGWbq13/test_handle_cvector-0: 1.03s +./tmp/meepGSue4y/test_handle_cvector-0: 2.35s -/tmp/meepGWbq13/test_hermitian_eps-0 +/tmp/meepGSue4y/test_hermitian_eps-0 ======================== Initializing eigensolver data Computing 10 bands with 1e-12 tolerance @@ -22699,7 +22741,7 @@ 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: 0.0033273696899414062 +elapsed time for initialization: 0.006942272186279297 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... @@ -26311,7 +26353,7 @@ iteration 1600: trace = 2.393039433614877 (7.2727e-11% change) Finished solving for bands 2 to 10 after 1600 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: 13.487943172454834 +elapsed time for k point: 36.49257779121399 solve_kpoint (0.166667,0,0): Solving for bands 1 to 10... linmin: converged after 5 iterations. @@ -29845,7 +29887,7 @@ iteration 1567: trace = 2.412629747151596 (8.61073e-11% change) Finished solving for bands 1 to 10 after 1567 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: 15.533253192901611 +elapsed time for k point: 41.628456830978394 solve_kpoint (0.333333,0,0): Solving for bands 1 to 10... linmin: converged after 4 iterations. @@ -32827,7 +32869,7 @@ iteration 1331: trace = 2.451789423896146 (9.19952e-11% change) Finished solving for bands 1 to 10 after 1331 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: 13.100672960281372 +elapsed time for k point: 43.809871196746826 solve_kpoint (0.5,0,0): Solving for bands 1 to 10... linmin: converged after 4 iterations. @@ -35908,7 +35950,7 @@ iteration 1371: trace = 2.449292757192449 (6.94611e-11% change) Finished solving for bands 1 to 10 after 1371 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: 13.481593370437622 +elapsed time for k point: 39.470075607299805 solve_kpoint (0.5,0.166667,0): Solving for bands 1 to 10... linmin: converged after 4 iterations. @@ -38264,7 +38306,7 @@ iteration 1047: trace = 2.485865194972738 (7.34055e-11% change) Finished solving for bands 1 to 10 after 1047 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: 10.382132053375244 +elapsed time for k point: 30.478854417800903 solve_kpoint (0.5,0.333333,0): Solving for bands 1 to 10... linmin: converged after 5 iterations. @@ -39831,7 +39873,7 @@ iteration 695: trace = 2.578881665331004 (9.27137e-11% change) Finished solving for bands 1 to 10 after 695 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: 6.810424327850342 +elapsed time for k point: 20.829601526260376 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 10... linmin: converged after 5 iterations. @@ -40976,7 +41018,7 @@ iteration 504: trace = 2.65386095688817 (8.29657e-11% change) Finished solving for bands 1 to 10 after 504 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: 4.934818506240845 +elapsed time for k point: 16.90604019165039 solve_kpoint (0.333333,0.333333,0): Solving for bands 1 to 10... linmin: converged after 6 iterations. @@ -42419,7 +42461,7 @@ iteration 635: trace = 2.532226604459286 (6.79403e-11% change) Finished solving for bands 1 to 10 after 635 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: 6.297122240066528 +elapsed time for k point: 20.861759424209595 solve_kpoint (0.166667,0.166667,0): Solving for bands 1 to 10... linmin: converged after 5 iterations. @@ -44369,7 +44411,7 @@ iteration 863: trace = 2.429159854402552 (6.97626e-11% change) Finished solving for bands 1 to 10 after 863 iterations. tmfreqs:, 9, 0.166667, 0.166667, 0, 0.235702, 0.162353, 0.295874, 0.356214, 0.372161, 0.504258, 0.506735, 0.537355, 0.633231, 0.645916, 0.65717 -elapsed time for k point: 8.456959009170532 +elapsed time for k point: 26.002326726913452 solve_kpoint (0,0,0): Solving for bands 2 to 10... linmin: converged after 4 iterations. @@ -45839,7 +45881,7 @@ iteration 654: trace = 2.393039431891898 (8.4177e-11% change) Finished solving for bands 2 to 10 after 654 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: 5.529649019241333 +.elapsed time for k point: 16.946566104888916 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2156485263004528 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.26588497856536614 at Vector3<0.0, 0.0, 0.0> to 0.35463024054636866 at Vector3<0.33333333333333337, 0.33333333333333337, 0.0> Band 3 range: 0.3562142355908947 at Vector3<0.16666666666666669, 0.16666666666666669, 0.0> to 0.36527833517582053 at Vector3<0.5, 0.0, 0.0> @@ -45855,11 +45897,11 @@ Gap from band 3 (0.36527833517582053) to band 4 (0.3689901366659233), 1.0110202555184071% Gap from band 7 (0.6079200818073007) to band 8 (0.6150518764852911), 1.16630551168928% Gap from band 8 (0.635680784601736) to band 9 (0.6397097609333313), 0.6318027596644891% -total elapsed time for run: 98.01919603347778 +total elapsed time for run: 293.4459891319275 done -/tmp/meepGWbq13/test_hermitian_eps-0: 98.02s +/tmp/meepGSue4y/test_hermitian_eps-0: 293.71s -/tmp/meepGWbq13/test_hole_slab-0 +/tmp/meepGSue4y/test_hole_slab-0 ======================== Initializing eigensolver data Computing 9 bands with 1e-12 tolerance @@ -45893,7 +45935,7 @@ Initializing fields to random numbers... 1 k-points Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> -elapsed time for initialization: 0.22751069068908691 +elapsed time for initialization: 0.5369064807891846 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... @@ -45962,17 +46004,17 @@ iteration 31: trace = 2.187958069704349 (9.36705e-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: 14.460952758789062 -total elapsed time for run: 14.689711570739746 +elapsed time for k point: 51.37017369270325 +total elapsed time for run: 51.907241106033325 done Fixing h-field (band 9) phase by 0.0246538 + 0.999696i; max ampl. = 2.37913 -FOutputting fields to /tmp/meepGWbq13/test_hole_slab-0-h.k01.b09.z.zeven.h5... +FOutputting fields to /tmp/meepGSue4y/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 = 0.47386166357224985 s -/tmp/meepGWbq13/test_hole_slab-0: 14.73s +mean time per iteration = 1.6744271324526878 s +/tmp/meepGSue4y/test_hole_slab-0: 53.40s -/tmp/meepGWbq13/test_honey_rods-0 +/tmp/meepGSue4y/test_honey_rods-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -46017,7 +46059,7 @@ 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: 0.0031800270080566406 +elapsed time for initialization: 0.010505914688110352 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... @@ -46103,7 +46145,7 @@ iteration 38: trace = 4.38487035911433 (2.56637e-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: 0.13351082801818848 +elapsed time for k point: 0.5512440204620361 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 7 iterations. @@ -46177,7 +46219,7 @@ iteration 34: trace = 4.363900038828967 (4.24154e-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: 0.15320181846618652 +elapsed time for k point: 0.42549753189086914 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -46216,7 +46258,7 @@ iteration 17: trace = 4.325994457593166 (2.5356e-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: 0.0802161693572998 +elapsed time for k point: 0.20446419715881348 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -46253,7 +46295,7 @@ iteration 16: trace = 4.298080976434066 (6.69531e-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: 0.07325339317321777 +elapsed time for k point: 0.18937444686889648 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -46288,7 +46330,7 @@ iteration 15: trace = 4.286087121421346 (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: 0.06897258758544922 +elapsed time for k point: 0.17617082595825195 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -46319,7 +46361,7 @@ iteration 13: trace = 4.283886820302828 (6.60761e-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: 0.06040835380554199 +elapsed time for k point: 0.15767598152160645 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -46348,7 +46390,7 @@ iteration 12: trace = 4.287889499871685 (9.82241e-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: 0.055837154388427734 +elapsed time for k point: 0.21379733085632324 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -46381,7 +46423,7 @@ iteration 14: trace = 4.299904770939231 (1.58636e-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: 0.06473159790039062 +elapsed time for k point: 0.39632439613342285 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -46414,7 +46456,7 @@ iteration 14: trace = 4.319879224622893 (9.40221e-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: 0.06476473808288574 +elapsed time for k point: 0.21814727783203125 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -46451,7 +46493,7 @@ iteration 16: trace = 4.347482286295501 (4.98485e-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: 0.07403826713562012 +elapsed time for k point: 0.19091439247131348 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -46516,7 +46558,7 @@ 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: 0.12630033493041992 +elapsed time for k point: 0.38025760650634766 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -46551,7 +46593,7 @@ iteration 15: trace = 4.322737319376869 (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: 0.0691080093383789 +elapsed time for k point: 0.17706561088562012 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -46582,7 +46624,7 @@ iteration 13: trace = 4.300851491405954 (5.98885e-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: 0.06036233901977539 +elapsed time for k point: 0.15509605407714844 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -46613,7 +46655,7 @@ iteration 13: trace = 4.317112896788797 (5.00963e-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: 0.0605006217956543 +elapsed time for k point: 0.1558542251586914 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -46650,7 +46692,7 @@ iteration 16: trace = 4.35829751621239 (8.24331e-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: 0.07366371154785156 +elapsed time for k point: 0.20378661155700684 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -46851,7 +46893,7 @@ iteration 93: trace = 4.384870359106209 (1.56778e-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: 0.32265233993530273 +elapsed time for k point: 0.8625884056091309 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.33511676603549895 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.3351850759916977 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.4298481123781638 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.5751709345431465 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7255897672261694 at Vector3<0.0, 0.0, 0.0> @@ -46864,7 +46906,7 @@ Gap from band 2 (0.4298481123781638) to band 3 (0.5751709345431465), 28.919416524523044% Gap from band 5 (0.7793792212092521) to band 6 (0.7852786984418483), 0.7540916335133137% Gap from band 7 (0.9122560439014175) to band 8 (1.054035050813511), 14.420958045649755% -total elapsed time for run: 1.5456233024597168 +total elapsed time for run: 4.6708879470825195 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -46908,7 +46950,7 @@ 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: 0.0032095909118652344 +elapsed time for initialization: 0.007344484329223633 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... @@ -47110,7 +47152,7 @@ iteration 91: trace = 6.466405545431808 (3.67556e-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: 0.3134419918060303 +elapsed time for k point: 0.8150968551635742 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -47215,7 +47257,7 @@ iteration 50: trace = 6.367909049127854 (9.13018e-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: 0.22006773948669434 +elapsed time for k point: 0.568795919418335 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 14 iterations. @@ -47272,7 +47314,7 @@ iteration 26: trace = 6.307408527722557 (7.9293e-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: 0.12013936042785645 +elapsed time for k point: 0.463334321975708 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -47329,7 +47371,7 @@ iteration 26: trace = 6.281971560075131 (8.24559e-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: 0.11612534523010254 +elapsed time for k point: 0.299746036529541 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -47396,7 +47438,7 @@ iteration 31: trace = 6.282671766119803 (5.95873e-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: 0.13753437995910645 +elapsed time for k point: 0.3788015842437744 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -47479,7 +47521,7 @@ iteration 39: trace = 6.29440570326861 (7.75095e-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: 0.1723334789276123 +elapsed time for k point: 0.5042750835418701 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -47544,7 +47586,7 @@ iteration 30: trace = 6.296467689265774 (7.75265e-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: 0.13330769538879395 +elapsed time for k point: 0.3403794765472412 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -47615,7 +47657,7 @@ iteration 33: trace = 6.301845550822886 (4.1112e-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: 0.146453857421875 +elapsed time for k point: 0.5549354553222656 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -47688,7 +47730,7 @@ iteration 34: trace = 6.309184046353366 (7.89047e-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: 0.15047335624694824 +elapsed time for k point: 0.4007575511932373 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -47763,7 +47805,7 @@ iteration 35: trace = 6.318322876593968 (6.70106e-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: 0.15471863746643066 +elapsed time for k point: 0.403545618057251 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -47920,7 +47962,7 @@ iteration 72: trace = 6.329316110445949 (8.96413e-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: 0.31554508209228516 +elapsed time for k point: 0.8389124870300293 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -48131,7 +48173,7 @@ iteration 101: trace = 6.298594861654117 (6.21864e-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: 0.44156479835510254 +elapsed time for k point: 1.3045358657836914 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -48186,7 +48228,7 @@ iteration 25: trace = 6.282608553113039 (8.71128e-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: 0.11126327514648438 +elapsed time for k point: 0.2871711254119873 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -48239,7 +48281,7 @@ iteration 24: trace = 6.296830790289762 (6.42631e-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: 0.10877847671508789 +elapsed time for k point: 0.3084399700164795 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -48296,7 +48338,7 @@ iteration 26: trace = 6.356049883130341 (5.77535e-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: 0.11622428894042969 +elapsed time for k point: 0.2975809574127197 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. @@ -48445,7 +48487,7 @@ iteration 67: trace = 6.466405545350961 (9.26307e-11% change) Finished solving for bands 2 to 8 after 67 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.727845, 0.788088, 0.920961, 0.922085, 1.01687, 1.01845, 1.24334 -.elapsed time for k point: 0.231475830078125 +.elapsed time for k point: 0.8229994773864746 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.5535093489972592 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.5203183590840945 at Vector3<0.0, 0.5, 0.0> to 0.7278447515454931 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.5763358596513122 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7880878930618368 at Vector3<0.0, 0.0, 0.0> @@ -48457,11 +48499,11 @@ Gap from band 3 (0.7880878930618368) to band 4 (0.816173029367493), 3.5013177610942434% Gap from band 5 (0.9220849425898026) to band 6 (1.0168656683915518), 9.776497169649742% Gap from band 7 (1.1593702273707203) to band 8 (1.1636719050364366), 0.3703486566779469% -total elapsed time for run: 2.993647575378418 +total elapsed time for run: 8.598690032958984 done -/tmp/meepGWbq13/test_honey_rods-0: 4.54s +/tmp/meepGSue4y/test_honey_rods-0: 13.46s -/tmp/meepGWbq13/test_line_defect-0 +/tmp/meepGSue4y/test_line_defect-0 ======================== Initializing eigensolver data Computing 12 bands with 1e-12 tolerance @@ -48508,7 +48550,7 @@ Vector3<0.3, 1.0499999999999998, 0.0> Vector3<0.39999999999999997, 1.4, 0.0> Vector3<0.49999999999999994, 1.75, 0.0> -elapsed time for initialization: 0.023639202117919922 +elapsed time for initialization: 0.05842280387878418 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... @@ -48705,7 +48747,7 @@ Finished solving for bands 8 to 12 after 76 iterations. Finished k-point with 39.6667 mean iterations/band. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.100888, 0.110544, 0.191438, 0.209077, 0.252769, 0.337337, 0.453613, 0.461172, 0.496485, 0.499488, 0.545123 -elapsed time for k point: 2.2975456714630127 +elapsed time for k point: 7.816305637359619 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 @@ -48718,18 +48760,18 @@ 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/meepGWbq13/test_line_defect-0-e.k01.b01.z.tm.h5... -Outputting fields to /tmp/meepGWbq13/test_line_defect-0-e.k01.b02.z.tm.h5... -Outputting fields to /tmp/meepGWbq13/test_line_defect-0-e.k01.b03.z.tm.h5... -Outputting fields to /tmp/meepGWbq13/test_line_defect-0-e.k01.b04.z.tm.h5... -Outputting fields to /tmp/meepGWbq13/test_line_defect-0-e.k01.b05.z.tm.h5... -Outputting fields to /tmp/meepGWbq13/test_line_defect-0-e.k01.b06.z.tm.h5... -Outputting fields to /tmp/meepGWbq13/test_line_defect-0-e.k01.b07.z.tm.h5... -Outputting fields to /tmp/meepGWbq13/test_line_defect-0-e.k01.b08.z.tm.h5... -Outputting fields to /tmp/meepGWbq13/test_line_defect-0-e.k01.b09.z.tm.h5... -Outputting fields to /tmp/meepGWbq13/test_line_defect-0-e.k01.b10.z.tm.h5... -Outputting fields to /tmp/meepGWbq13/test_line_defect-0-e.k01.b11.z.tm.h5... -Outputting fields to /tmp/meepGWbq13/test_line_defect-0-e.k01.b12.z.tm.h5... +Outputting fields to /tmp/meepGSue4y/test_line_defect-0-e.k01.b01.z.tm.h5... +Outputting fields to /tmp/meepGSue4y/test_line_defect-0-e.k01.b02.z.tm.h5... +Outputting fields to /tmp/meepGSue4y/test_line_defect-0-e.k01.b03.z.tm.h5... +Outputting fields to /tmp/meepGSue4y/test_line_defect-0-e.k01.b04.z.tm.h5... +Outputting fields to /tmp/meepGSue4y/test_line_defect-0-e.k01.b05.z.tm.h5... +Outputting fields to /tmp/meepGSue4y/test_line_defect-0-e.k01.b06.z.tm.h5... +Outputting fields to /tmp/meepGSue4y/test_line_defect-0-e.k01.b07.z.tm.h5... +Outputting fields to /tmp/meepGSue4y/test_line_defect-0-e.k01.b08.z.tm.h5... +Outputting fields to /tmp/meepGSue4y/test_line_defect-0-e.k01.b09.z.tm.h5... +Outputting fields to /tmp/meepGSue4y/test_line_defect-0-e.k01.b10.z.tm.h5... +Outputting fields to /tmp/meepGSue4y/test_line_defect-0-e.k01.b11.z.tm.h5... +Outputting fields to /tmp/meepGSue4y/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. @@ -48827,7 +48869,7 @@ 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: 1.3810462951660156 +elapsed time for k point: 4.628782749176025 Fixing e-field (band 1) phase by -1 + 2.71685e-09i; max ampl. = 0.279221 Fixing e-field (band 2) phase by 0.0662327 + 0.997804i; max ampl. = 0.368961 Fixing e-field (band 3) phase by 1 + -3.08277e-07i; max ampl. = 0.357513 @@ -48840,18 +48882,18 @@ Fixing e-field (band 10) phase by 1 + 8.06441e-05i; max ampl. = 0.50134 Fixing e-field (band 11) phase by 2.03319e-05 + 1i; max ampl. = 0.518018 Fixing e-field (band 12) phase by -0.000314791 + -1i; max ampl. = 0.377816 -Outputting fields to /tmp/meepGWbq13/test_line_defect-0-e.k02.b01.z.tm.h5... -Outputting fields to /tmp/meepGWbq13/test_line_defect-0-e.k02.b02.z.tm.h5... -Outputting fields to /tmp/meepGWbq13/test_line_defect-0-e.k02.b03.z.tm.h5... -Outputting fields to /tmp/meepGWbq13/test_line_defect-0-e.k02.b04.z.tm.h5... -Outputting fields to /tmp/meepGWbq13/test_line_defect-0-e.k02.b05.z.tm.h5... -Outputting fields to /tmp/meepGWbq13/test_line_defect-0-e.k02.b06.z.tm.h5... -Outputting fields to /tmp/meepGWbq13/test_line_defect-0-e.k02.b07.z.tm.h5... -Outputting fields to /tmp/meepGWbq13/test_line_defect-0-e.k02.b08.z.tm.h5... -Outputting fields to /tmp/meepGWbq13/test_line_defect-0-e.k02.b09.z.tm.h5... -Outputting fields to /tmp/meepGWbq13/test_line_defect-0-e.k02.b10.z.tm.h5... -Outputting fields to /tmp/meepGWbq13/test_line_defect-0-e.k02.b11.z.tm.h5... -Outputting fields to /tmp/meepGWbq13/test_line_defect-0-e.k02.b12.z.tm.h5... +Outputting fields to /tmp/meepGSue4y/test_line_defect-0-e.k02.b01.z.tm.h5... +Outputting fields to /tmp/meepGSue4y/test_line_defect-0-e.k02.b02.z.tm.h5... +Outputting fields to /tmp/meepGSue4y/test_line_defect-0-e.k02.b03.z.tm.h5... +Outputting fields to /tmp/meepGSue4y/test_line_defect-0-e.k02.b04.z.tm.h5... +Outputting fields to /tmp/meepGSue4y/test_line_defect-0-e.k02.b05.z.tm.h5... +Outputting fields to /tmp/meepGSue4y/test_line_defect-0-e.k02.b06.z.tm.h5... +Outputting fields to /tmp/meepGSue4y/test_line_defect-0-e.k02.b07.z.tm.h5... +Outputting fields to /tmp/meepGSue4y/test_line_defect-0-e.k02.b08.z.tm.h5... +Outputting fields to /tmp/meepGSue4y/test_line_defect-0-e.k02.b09.z.tm.h5... +Outputting fields to /tmp/meepGSue4y/test_line_defect-0-e.k02.b10.z.tm.h5... +Outputting fields to /tmp/meepGSue4y/test_line_defect-0-e.k02.b11.z.tm.h5... +Outputting fields to /tmp/meepGSue4y/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. @@ -48941,7 +48983,7 @@ 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: 1.226917028427124 +elapsed time for k point: 4.5295188426971436 Fixing e-field (band 1) phase by 1 + -6.73909e-16i; max ampl. = 0.316626 Fixing e-field (band 2) phase by 1.18012e-10 + 1i; max ampl. = 0.383063 Fixing e-field (band 3) phase by 1 + -1.02081e-14i; max ampl. = 0.3761 @@ -48954,18 +48996,18 @@ Fixing e-field (band 10) phase by -1 + 3.83177e-10i; max ampl. = 0.454743 Fixing e-field (band 11) phase by 4.76626e-08 + 1i; max ampl. = 0.493615 Fixing e-field (band 12) phase by -1.94517e-06 + -1i; max ampl. = 0.473136 -Outputting fields to /tmp/meepGWbq13/test_line_defect-0-e.k03.b01.z.tm.h5... -Outputting fields to /tmp/meepGWbq13/test_line_defect-0-e.k03.b02.z.tm.h5... -Outputting fields to /tmp/meepGWbq13/test_line_defect-0-e.k03.b03.z.tm.h5... -Outputting fields to /tmp/meepGWbq13/test_line_defect-0-e.k03.b04.z.tm.h5... -Outputting fields to /tmp/meepGWbq13/test_line_defect-0-e.k03.b05.z.tm.h5... -Outputting fields to /tmp/meepGWbq13/test_line_defect-0-e.k03.b06.z.tm.h5... -Outputting fields to /tmp/meepGWbq13/test_line_defect-0-e.k03.b07.z.tm.h5... -Outputting fields to /tmp/meepGWbq13/test_line_defect-0-e.k03.b08.z.tm.h5... -Outputting fields to /tmp/meepGWbq13/test_line_defect-0-e.k03.b09.z.tm.h5... -Outputting fields to /tmp/meepGWbq13/test_line_defect-0-e.k03.b10.z.tm.h5... -Outputting fields to /tmp/meepGWbq13/test_line_defect-0-e.k03.b11.z.tm.h5... -Outputting fields to /tmp/meepGWbq13/test_line_defect-0-e.k03.b12.z.tm.h5... +Outputting fields to /tmp/meepGSue4y/test_line_defect-0-e.k03.b01.z.tm.h5... +Outputting fields to /tmp/meepGSue4y/test_line_defect-0-e.k03.b02.z.tm.h5... +Outputting fields to /tmp/meepGSue4y/test_line_defect-0-e.k03.b03.z.tm.h5... +Outputting fields to /tmp/meepGSue4y/test_line_defect-0-e.k03.b04.z.tm.h5... +Outputting fields to /tmp/meepGSue4y/test_line_defect-0-e.k03.b05.z.tm.h5... +Outputting fields to /tmp/meepGSue4y/test_line_defect-0-e.k03.b06.z.tm.h5... +Outputting fields to /tmp/meepGSue4y/test_line_defect-0-e.k03.b07.z.tm.h5... +Outputting fields to /tmp/meepGSue4y/test_line_defect-0-e.k03.b08.z.tm.h5... +Outputting fields to /tmp/meepGSue4y/test_line_defect-0-e.k03.b09.z.tm.h5... +Outputting fields to /tmp/meepGSue4y/test_line_defect-0-e.k03.b10.z.tm.h5... +Outputting fields to /tmp/meepGSue4y/test_line_defect-0-e.k03.b11.z.tm.h5... +Outputting fields to /tmp/meepGSue4y/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. @@ -49187,7 +49229,7 @@ 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: 3.157979726791382 +elapsed time for k point: 11.215826511383057 Fixing e-field (band 1) phase by 1 + -4.6229e-17i; max ampl. = 0.362092 Fixing e-field (band 2) phase by 3.66735e-12 + 1i; max ampl. = 0.407764 Fixing e-field (band 3) phase by 1 + 4.17696e-16i; max ampl. = 0.420136 @@ -49200,18 +49242,18 @@ Fixing e-field (band 10) phase by 1 + -4.03304e-13i; max ampl. = 0.483552 Fixing e-field (band 11) phase by -1.20957e-10 + 1i; max ampl. = 0.523494 Fixing e-field (band 12) phase by -1 + -7.30084e-11i; max ampl. = 0.423458 -Outputting fields to /tmp/meepGWbq13/test_line_defect-0-e.k04.b01.z.tm.h5... -Outputting fields to /tmp/meepGWbq13/test_line_defect-0-e.k04.b02.z.tm.h5... -Outputting fields to /tmp/meepGWbq13/test_line_defect-0-e.k04.b03.z.tm.h5... -Outputting fields to /tmp/meepGWbq13/test_line_defect-0-e.k04.b04.z.tm.h5... -Outputting fields to /tmp/meepGWbq13/test_line_defect-0-e.k04.b05.z.tm.h5... -Outputting fields to /tmp/meepGWbq13/test_line_defect-0-e.k04.b06.z.tm.h5... -Outputting fields to /tmp/meepGWbq13/test_line_defect-0-e.k04.b07.z.tm.h5... -Outputting fields to /tmp/meepGWbq13/test_line_defect-0-e.k04.b08.z.tm.h5... -Outputting fields to /tmp/meepGWbq13/test_line_defect-0-e.k04.b09.z.tm.h5... -Outputting fields to /tmp/meepGWbq13/test_line_defect-0-e.k04.b10.z.tm.h5... -Outputting fields to /tmp/meepGWbq13/test_line_defect-0-e.k04.b11.z.tm.h5... -Outputting fields to /tmp/meepGWbq13/test_line_defect-0-e.k04.b12.z.tm.h5... +Outputting fields to /tmp/meepGSue4y/test_line_defect-0-e.k04.b01.z.tm.h5... +Outputting fields to /tmp/meepGSue4y/test_line_defect-0-e.k04.b02.z.tm.h5... +Outputting fields to /tmp/meepGSue4y/test_line_defect-0-e.k04.b03.z.tm.h5... +Outputting fields to /tmp/meepGSue4y/test_line_defect-0-e.k04.b04.z.tm.h5... +Outputting fields to /tmp/meepGSue4y/test_line_defect-0-e.k04.b05.z.tm.h5... +Outputting fields to /tmp/meepGSue4y/test_line_defect-0-e.k04.b06.z.tm.h5... +Outputting fields to /tmp/meepGSue4y/test_line_defect-0-e.k04.b07.z.tm.h5... +Outputting fields to /tmp/meepGSue4y/test_line_defect-0-e.k04.b08.z.tm.h5... +Outputting fields to /tmp/meepGSue4y/test_line_defect-0-e.k04.b09.z.tm.h5... +Outputting fields to /tmp/meepGSue4y/test_line_defect-0-e.k04.b10.z.tm.h5... +Outputting fields to /tmp/meepGSue4y/test_line_defect-0-e.k04.b11.z.tm.h5... +Outputting fields to /tmp/meepGSue4y/test_line_defect-0-e.k04.b12.z.tm.h5... solve_kpoint (0.4,1.4,0): Solving for bands 1 to 6... linmin: converged after 5 iterations. @@ -49373,7 +49415,7 @@ 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: 2.3347036838531494 +elapsed time for k point: 8.072905540466309 Fixing e-field (band 1) phase by 1 + -5.70545e-17i; max ampl. = 0.407996 Fixing e-field (band 2) phase by -3.78215e-12 + 1i; max ampl. = 0.441101 Fixing e-field (band 3) phase by -1 + -1.25589e-15i; max ampl. = 0.464954 @@ -49386,18 +49428,18 @@ Fixing e-field (band 10) phase by -1.20409e-13 + 1i; max ampl. = 0.518507 Fixing e-field (band 11) phase by -1 + 1.90851e-12i; max ampl. = 0.471405 Fixing e-field (band 12) phase by -3.22577e-14 + 1i; max ampl. = 0.443866 -Outputting fields to /tmp/meepGWbq13/test_line_defect-0-e.k05.b01.z.tm.h5... -Outputting fields to /tmp/meepGWbq13/test_line_defect-0-e.k05.b02.z.tm.h5... -Outputting fields to /tmp/meepGWbq13/test_line_defect-0-e.k05.b03.z.tm.h5... -Outputting fields to /tmp/meepGWbq13/test_line_defect-0-e.k05.b04.z.tm.h5... -Outputting fields to /tmp/meepGWbq13/test_line_defect-0-e.k05.b05.z.tm.h5... -Outputting fields to /tmp/meepGWbq13/test_line_defect-0-e.k05.b06.z.tm.h5... -Outputting fields to /tmp/meepGWbq13/test_line_defect-0-e.k05.b07.z.tm.h5... -Outputting fields to /tmp/meepGWbq13/test_line_defect-0-e.k05.b08.z.tm.h5... -Outputting fields to /tmp/meepGWbq13/test_line_defect-0-e.k05.b09.z.tm.h5... -Outputting fields to /tmp/meepGWbq13/test_line_defect-0-e.k05.b10.z.tm.h5... -Outputting fields to /tmp/meepGWbq13/test_line_defect-0-e.k05.b11.z.tm.h5... -Outputting fields to /tmp/meepGWbq13/test_line_defect-0-e.k05.b12.z.tm.h5... +Outputting fields to /tmp/meepGSue4y/test_line_defect-0-e.k05.b01.z.tm.h5... +Outputting fields to /tmp/meepGSue4y/test_line_defect-0-e.k05.b02.z.tm.h5... +Outputting fields to /tmp/meepGSue4y/test_line_defect-0-e.k05.b03.z.tm.h5... +Outputting fields to /tmp/meepGSue4y/test_line_defect-0-e.k05.b04.z.tm.h5... +Outputting fields to /tmp/meepGSue4y/test_line_defect-0-e.k05.b05.z.tm.h5... +Outputting fields to /tmp/meepGSue4y/test_line_defect-0-e.k05.b06.z.tm.h5... +Outputting fields to /tmp/meepGSue4y/test_line_defect-0-e.k05.b07.z.tm.h5... +Outputting fields to /tmp/meepGSue4y/test_line_defect-0-e.k05.b08.z.tm.h5... +Outputting fields to /tmp/meepGSue4y/test_line_defect-0-e.k05.b09.z.tm.h5... +Outputting fields to /tmp/meepGSue4y/test_line_defect-0-e.k05.b10.z.tm.h5... +Outputting fields to /tmp/meepGSue4y/test_line_defect-0-e.k05.b11.z.tm.h5... +Outputting fields to /tmp/meepGSue4y/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. @@ -49453,7 +49495,7 @@ 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: 0.726926326751709 +elapsed time for k point: 2.3385767936706543 Fixing e-field (band 1) phase by 1 + -5.03646e-17i; max ampl. = 0.422882 Fixing e-field (band 2) phase by 2.80271e-12 + -1i; max ampl. = 0.466091 Fixing e-field (band 3) phase by -1 + -2.5993e-16i; max ampl. = 0.462198 @@ -49466,18 +49508,18 @@ Fixing e-field (band 10) phase by 8.81578e-13 + 1i; max ampl. = 0.472551 Fixing e-field (band 11) phase by 1 + -2.00359e-14i; max ampl. = 0.507635 Fixing e-field (band 12) phase by -1.13227e-12 + 1i; max ampl. = 0.465525 -..Outputting fields to /tmp/meepGWbq13/test_line_defect-0-e.k06.b01.z.tm.h5... -Outputting fields to /tmp/meepGWbq13/test_line_defect-0-e.k06.b02.z.tm.h5... -Outputting fields to /tmp/meepGWbq13/test_line_defect-0-e.k06.b03.z.tm.h5... -Outputting fields to /tmp/meepGWbq13/test_line_defect-0-e.k06.b04.z.tm.h5... -Outputting fields to /tmp/meepGWbq13/test_line_defect-0-e.k06.b05.z.tm.h5... -Outputting fields to /tmp/meepGWbq13/test_line_defect-0-e.k06.b06.z.tm.h5... -Outputting fields to /tmp/meepGWbq13/test_line_defect-0-e.k06.b07.z.tm.h5... -Outputting fields to /tmp/meepGWbq13/test_line_defect-0-e.k06.b08.z.tm.h5... -Outputting fields to /tmp/meepGWbq13/test_line_defect-0-e.k06.b09.z.tm.h5... -Outputting fields to /tmp/meepGWbq13/test_line_defect-0-e.k06.b10.z.tm.h5... -Outputting fields to /tmp/meepGWbq13/test_line_defect-0-e.k06.b11.z.tm.h5... -Outputting fields to /tmp/meepGWbq13/test_line_defect-0-e.k06.b12.z.tm.h5... +..Outputting fields to /tmp/meepGSue4y/test_line_defect-0-e.k06.b01.z.tm.h5... +Outputting fields to /tmp/meepGSue4y/test_line_defect-0-e.k06.b02.z.tm.h5... +Outputting fields to /tmp/meepGSue4y/test_line_defect-0-e.k06.b03.z.tm.h5... +Outputting fields to /tmp/meepGSue4y/test_line_defect-0-e.k06.b04.z.tm.h5... +Outputting fields to /tmp/meepGSue4y/test_line_defect-0-e.k06.b05.z.tm.h5... +Outputting fields to /tmp/meepGSue4y/test_line_defect-0-e.k06.b06.z.tm.h5... +Outputting fields to /tmp/meepGSue4y/test_line_defect-0-e.k06.b07.z.tm.h5... +Outputting fields to /tmp/meepGSue4y/test_line_defect-0-e.k06.b08.z.tm.h5... +Outputting fields to /tmp/meepGSue4y/test_line_defect-0-e.k06.b09.z.tm.h5... +Outputting fields to /tmp/meepGSue4y/test_line_defect-0-e.k06.b10.z.tm.h5... +Outputting fields to /tmp/meepGSue4y/test_line_defect-0-e.k06.b11.z.tm.h5... +Outputting fields to /tmp/meepGSue4y/test_line_defect-0-e.k06.b12.z.tm.h5... Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.25635010535444464 at Vector3<0.49999999999999994, 1.75, 0.0> Band 2 range: 0.10088801014542138 at Vector3<0.0, 0.0, 0.0> to 0.25697767129278265 at Vector3<0.49999999999999994, 1.75, 0.0> Band 3 range: 0.11054374616923922 at Vector3<0.0, 0.0, 0.0> to 0.25834187991797386 at Vector3<0.49999999999999994, 1.75, 0.0> @@ -49492,15 +49534,15 @@ Band 12 range: 0.46569046397212344 at Vector3<0.49999999999999994, 1.75, 0.0> to 0.5451229846661456 at Vector3<0.0, 0.0, 0.0> Gap from band 6 (0.27082126366760045) to band 7 (0.33733710311255777), 21.874512652722238% Gap from band 7 (0.4424976649169414) to band 8 (0.44826277655382296), 1.2944247113988512% -total elapsed time for run: 11.487948894500732 +total elapsed time for run: 39.575995445251465 done -/tmp/meepGWbq13/test_line_defect-0: 11.50s +/tmp/meepGSue4y/test_line_defect-0: 39.61s -/tmp/meepGWbq13/test_list_split-0 +/tmp/meepGSue4y/test_list_split-0 ======================== -/tmp/meepGWbq13/test_list_split-0: 0.00s +/tmp/meepGSue4y/test_list_split-0: 0.00s -/tmp/meepGWbq13/test_load_and_save_eigenvectors-0 +/tmp/meepGSue4y/test_load_and_save_eigenvectors-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -49543,7 +49585,7 @@ 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: 0.0027799606323242188 +elapsed time for initialization: 0.005814790725708008 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... @@ -49654,7 +49696,7 @@ iteration 52: trace = 5.548117725324874 (4.74016e-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: 0.18071293830871582 +elapsed time for k point: 0.40563273429870605 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -49905,7 +49947,7 @@ iteration 121: trace = 5.540497242579405 (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: 0.5335001945495605 +elapsed time for k point: 1.6760735511779785 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -49962,7 +50004,7 @@ iteration 26: trace = 5.499374946276068 (6.759e-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: 0.11929464340209961 +elapsed time for k point: 0.27843737602233887 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -50015,7 +50057,7 @@ iteration 24: trace = 5.48545908008786 (6.15763e-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: 0.10815286636352539 +elapsed time for k point: 0.28470802307128906 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -50076,7 +50118,7 @@ iteration 28: trace = 5.504362091981045 (5.80892e-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: 0.1254262924194336 +elapsed time for k point: 0.29144287109375 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -50161,7 +50203,7 @@ iteration 40: trace = 5.538866868600049 (9.99485e-11% change) Finished solving for bands 1 to 8 after 40 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: 0.1775496006011963 +elapsed time for k point: 0.4182090759277344 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -50232,7 +50274,7 @@ iteration 33: trace = 5.41979773295833 (8.29052e-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: 0.14729905128479004 +elapsed time for k point: 0.3426682949066162 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -50293,7 +50335,7 @@ iteration 28: trace = 5.240853948733921 (3.70127e-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: 0.12544751167297363 +elapsed time for k point: 0.2916097640991211 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -50346,7 +50388,7 @@ iteration 24: trace = 5.096544273410621 (7.59123e-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: 0.10810613632202148 +elapsed time for k point: 0.25008201599121094 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -50398,7 +50440,7 @@ iteration 23: trace = 5.00643649634139 (6.08862e-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: 0.10385918617248535 +elapsed time for k point: 0.29496216773986816 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -50450,7 +50492,7 @@ iteration 23: trace = 4.975984265381786 (5.44939e-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: 0.10330414772033691 +elapsed time for k point: 0.23868441581726074 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -50491,7 +50533,7 @@ iteration 18: trace = 5.036378479895263 (5.47046e-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: 0.08179092407226562 +elapsed time for k point: 0.18770527839660645 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -50538,7 +50580,7 @@ iteration 21: trace = 5.206566305891691 (3.92012e-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: 0.09505939483642578 +elapsed time for k point: 0.23938918113708496 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -50601,7 +50643,7 @@ iteration 29: trace = 5.417088766409222 (6.15501e-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: 0.1297299861907959 +elapsed time for k point: 0.40895700454711914 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -50674,7 +50716,7 @@ iteration 34: trace = 5.522267645664736 (5.17409e-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: 0.1516883373260498 +elapsed time for k point: 0.38656044006347656 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -50869,7 +50911,7 @@ iteration 93: trace = 5.548117725324985 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.3203141689300537 +elapsed time for k point: 0.8811838626861572 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489877 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497226764 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160889 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> @@ -50881,7 +50923,7 @@ Gap from band 2 (0.5931405141160889) to band 3 (0.5931535863117833), 0.002203870977633219% Gap from band 4 (0.8096891551677093) to band 5 (0.8241814443502165), 1.77398249124295% Gap from band 7 (1.0860729323744873) to band 8 (1.0878689635115244), 0.16523267162162025% -total elapsed time for run: 2.614581346511841 +total elapsed time for run: 6.884005784988403 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -50923,7 +50965,7 @@ 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: 0.004797697067260742 +elapsed time for initialization: 0.011703968048095703 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... @@ -51034,7 +51076,7 @@ iteration 52: trace = 5.548117725324874 (4.74016e-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: 0.18145322799682617 +elapsed time for k point: 0.6502809524536133 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -51285,7 +51327,7 @@ iteration 121: trace = 5.540497242579405 (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: 0.5314829349517822 +elapsed time for k point: 2.16853666305542 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -51342,7 +51384,7 @@ iteration 26: trace = 5.499374946276068 (6.759e-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: 0.11679434776306152 +elapsed time for k point: 0.30663514137268066 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -51395,7 +51437,7 @@ iteration 24: trace = 5.48545908008786 (6.15763e-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: 0.10771489143371582 +elapsed time for k point: 0.2796187400817871 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -51456,7 +51498,7 @@ iteration 28: trace = 5.504362091981045 (5.80892e-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: 0.1250298023223877 +elapsed time for k point: 0.3506755828857422 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -51541,7 +51583,7 @@ iteration 40: trace = 5.538866868600049 (9.99485e-11% change) Finished solving for bands 1 to 8 after 40 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: 0.17714262008666992 +elapsed time for k point: 0.5968532562255859 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -51612,7 +51654,7 @@ iteration 33: trace = 5.41979773295833 (8.29052e-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: 0.14675545692443848 +elapsed time for k point: 0.39777112007141113 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -51673,7 +51715,7 @@ iteration 28: trace = 5.240853948733921 (3.70127e-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: 0.12483930587768555 +elapsed time for k point: 0.38743138313293457 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -51726,7 +51768,7 @@ iteration 24: trace = 5.096544273410621 (7.59123e-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: 0.10766339302062988 +elapsed time for k point: 0.3039989471435547 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -51778,7 +51820,7 @@ iteration 23: trace = 5.00643649634139 (6.08862e-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: 0.10337328910827637 +elapsed time for k point: 0.26856350898742676 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -51830,7 +51872,7 @@ iteration 23: trace = 4.975984265381786 (5.44939e-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: 0.10283088684082031 +elapsed time for k point: 0.2802565097808838 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -51871,7 +51913,7 @@ iteration 18: trace = 5.036378479895263 (5.47046e-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: 0.08334827423095703 +elapsed time for k point: 0.2142350673675537 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -51918,7 +51960,7 @@ iteration 21: trace = 5.206566305891691 (3.92012e-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: 0.0948030948638916 +elapsed time for k point: 0.2658815383911133 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -51981,7 +52023,7 @@ iteration 29: trace = 5.417088766409222 (6.15501e-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: 0.12934565544128418 +elapsed time for k point: 0.3337087631225586 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -52054,7 +52096,7 @@ iteration 34: trace = 5.522267645664736 (5.17409e-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: 0.15128374099731445 +elapsed time for k point: 0.39326977729797363 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -52249,7 +52291,7 @@ iteration 93: trace = 5.548117725324985 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -.elapsed time for k point: 0.32068514823913574 +.elapsed time for k point: 0.9206457138061523 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489877 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497226764 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160889 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> @@ -52261,11 +52303,11 @@ Gap from band 2 (0.5931405141160889) to band 3 (0.5931535863117833), 0.002203870977633219% Gap from band 4 (0.8096891551677093) to band 5 (0.8241814443502165), 1.77398249124295% Gap from band 7 (1.0860729323744873) to band 8 (1.0878689635115244), 0.16523267162162025% -total elapsed time for run: 2.6099202632904053 +total elapsed time for run: 8.132099390029907 done -/tmp/meepGWbq13/test_load_and_save_eigenvectors-0: 5.23s +/tmp/meepGSue4y/test_load_and_save_eigenvectors-0: 15.04s -/tmp/meepGWbq13/test_maximize_first_tm_gap-0 +/tmp/meepGSue4y/test_maximize_first_tm_gap-0 ======================== Initializing eigensolver data Computing 2 bands with 1e-12 tolerance @@ -52308,7 +52350,7 @@ 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: 0.0022230148315429688 +elapsed time for initialization: 0.0046977996826171875 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... @@ -52347,7 +52389,7 @@ iteration 16: trace = 0.20908352617051 (4.52408e-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: 0.006728410720825195 +elapsed time for k point: 0.017104148864746094 solve_kpoint (0.1,0,0): Solving for bands 1 to 2... linmin: converged after 10 iterations. @@ -52414,7 +52456,7 @@ iteration 30: trace = 0.2014046501599139 (1.70195e-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: 0.022798538208007812 +elapsed time for k point: 0.05782747268676758 solve_kpoint (0.2,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. @@ -52437,7 +52479,7 @@ iteration 9: trace = 0.1879007300173179 (4.37972e-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: 0.007387399673461914 +elapsed time for k point: 0.01819133758544922 solve_kpoint (0.3,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -52460,7 +52502,7 @@ iteration 9: trace = 0.1768571842568804 (3.89206e-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: 0.0071942806243896484 +elapsed time for k point: 0.018299579620361328 solve_kpoint (0.4,0,0): Solving for bands 1 to 2... linmin: converged after 8 iterations. @@ -52481,7 +52523,7 @@ iteration 8: trace = 0.170163043677122 (4.10389e-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: 0.006459951400756836 +elapsed time for k point: 0.01635456085205078 solve_kpoint (0.5,0,0): Solving for bands 1 to 2... linmin: converged after 12 iterations. @@ -52502,7 +52544,7 @@ iteration 8: trace = 0.1679542017748687 (3.80752e-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: 0.0064923763275146484 +elapsed time for k point: 0.016434907913208008 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 2... linmin: converged after 3 iterations. @@ -52523,7 +52565,7 @@ iteration 8: trace = 0.1727422479677606 (9.4799e-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: 0.006434917449951172 +elapsed time for k point: 0.016286611557006836 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -52544,7 +52586,7 @@ iteration 8: trace = 0.1859937688378515 (2.13546e-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: 0.0064733028411865234 +elapsed time for k point: 0.01625204086303711 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -52565,7 +52607,7 @@ iteration 8: trace = 0.2041420413289721 (7.62339e-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: 0.006468772888183594 +elapsed time for k point: 0.01586627960205078 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -52588,7 +52630,7 @@ iteration 9: trace = 0.2207583578967242 (6.07268e-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: 0.007181406021118164 +elapsed time for k point: 0.017993450164794922 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -52611,7 +52653,7 @@ iteration 9: trace = 0.2277122843842423 (1.07628e-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: 0.007256269454956055 +elapsed time for k point: 0.018125534057617188 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -52653,7 +52695,7 @@ iteration 17: trace = 0.2194624955004414 (3.58291e-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: 0.013023853302001953 +elapsed time for k point: 0.032736778259277344 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -52676,7 +52718,7 @@ iteration 9: trace = 0.2042021396245496 (5.47766e-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: 0.007182121276855469 +elapsed time for k point: 0.018475055694580078 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. @@ -52699,7 +52741,7 @@ iteration 9: trace = 0.1959313854307183 (4.6606e-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: 0.00718235969543457 +elapsed time for k point: 0.018311500549316406 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 2... linmin: converged after 9 iterations. @@ -52724,7 +52766,7 @@ iteration 10: trace = 0.2007748484301816 (1.10041e-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: 0.007946491241455078 +elapsed time for k point: 0.020008087158203125 solve_kpoint (0,0,0): Solving for bands 2 to 2... linmin: converged after 6 iterations. @@ -52753,11 +52795,11 @@ iteration 12: trace = 0.2090835122571491 (3.46474e-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: 0.0049669742584228516 +elapsed time for k point: 0.012652158737182617 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.24902949992221993 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.3512008353051186 at Vector3<0.5, 0.0, 0.0> to 0.45725652118970406 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.24902949992221993) to band 2 (0.3512008353051186), 34.04404255716301% -total elapsed time for run: 0.13373780250549316 +total elapsed time for run: 0.3375520706176758 done Initializing eigensolver data Computing 2 bands with 1e-12 tolerance @@ -52799,7 +52841,7 @@ 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: 0.0031936168670654297 +elapsed time for initialization: 0.006582975387573242 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... @@ -52840,7 +52882,7 @@ iteration 17: trace = 0.132652929662027 (9.98886e-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: 0.007047891616821289 +elapsed time for k point: 0.018095731735229492 solve_kpoint (0.1,0,0): Solving for bands 1 to 2... linmin: converged after 11 iterations. @@ -52900,7 +52942,7 @@ iteration 27: trace = 0.1274079622121576 (4.53777e-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: 0.020536184310913086 +elapsed time for k point: 0.0520784854888916 solve_kpoint (0.2,0,0): Solving for bands 1 to 2... linmin: converged after 8 iterations. @@ -52923,7 +52965,7 @@ iteration 9: trace = 0.1169623869301464 (5.37374e-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: 0.007222652435302734 +elapsed time for k point: 0.018494367599487305 solve_kpoint (0.3,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. @@ -52946,7 +52988,7 @@ iteration 9: trace = 0.1074794489925547 (2.76318e-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: 0.007237911224365234 +elapsed time for k point: 0.018418073654174805 solve_kpoint (0.4,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -52967,7 +53009,7 @@ iteration 8: trace = 0.1013401281478577 (3.12914e-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: 0.006441593170166016 +elapsed time for k point: 0.016602516174316406 solve_kpoint (0.5,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -52988,7 +53030,7 @@ iteration 8: trace = 0.09924540234965093 (1.06133e-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: 0.006454944610595703 +elapsed time for k point: 0.01632237434387207 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -53009,7 +53051,7 @@ iteration 8: trace = 0.1023441112106414 (1.99331e-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: 0.006463289260864258 +elapsed time for k point: 0.016314029693603516 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -53030,7 +53072,7 @@ iteration 8: trace = 0.1111004875044771 (8.78132e-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: 0.006439208984375 +elapsed time for k point: 0.01642131805419922 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -53051,7 +53093,7 @@ iteration 8: trace = 0.1236552584709828 (3.20865e-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: 0.00648951530456543 +elapsed time for k point: 0.01640629768371582 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 2... linmin: converged after 9 iterations. @@ -53074,7 +53116,7 @@ iteration 9: trace = 0.1360211172747792 (1.03251e-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: 0.007216215133666992 +elapsed time for k point: 0.018247127532958984 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 2... linmin: converged after 9 iterations. @@ -53097,7 +53139,7 @@ iteration 9: trace = 0.1415827248187513 (3.30912e-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: 0.007168292999267578 +elapsed time for k point: 0.018131017684936523 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -53147,7 +53189,7 @@ iteration 21: trace = 0.1366069801387 (1.81235e-11% change) Finished solving for bands 1 to 2 after 21 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.206544, 0.306507 -elapsed time for k point: 0.015958547592163086 +elapsed time for k point: 0.04081916809082031 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. @@ -53170,7 +53212,7 @@ iteration 9: trace = 0.1283044775563506 (4.18158e-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: 0.007179737091064453 +elapsed time for k point: 0.018098831176757812 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. @@ -53193,7 +53235,7 @@ iteration 9: trace = 0.1250652866471588 (9.25443e-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: 0.007212638854980469 +elapsed time for k point: 0.018221616744995117 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 2... linmin: converged after 8 iterations. @@ -53218,7 +53260,7 @@ iteration 10: trace = 0.128743150462253 (1.28275e-11% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0617389, 0.353456 -elapsed time for k point: 0.007980823516845703 +elapsed time for k point: 0.019916534423828125 solve_kpoint (0,0,0): Solving for bands 2 to 2... linmin: converged after 4 iterations. @@ -53249,11 +53291,11 @@ iteration 13: trace = 0.1326529452607797 (4.35626e-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: 0.005361080169677734 +elapsed time for k point: 0.013737201690673828 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.21862256910517538 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.259996144374749 at Vector3<0.5, 0.0, 0.0> to 0.36421552034582483 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.21862256910517538) to band 2 (0.259996144374749), 17.288741164655285% -total elapsed time for run: 0.1359260082244873 +total elapsed time for run: 0.34444093704223633 done Initializing eigensolver data Computing 2 bands with 1e-12 tolerance @@ -53295,7 +53337,7 @@ 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: 0.0021355152130126953 +elapsed time for initialization: 0.005017995834350586 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... @@ -53342,7 +53384,7 @@ iteration 20: trace = 0.298251955149003 (5.18349e-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: 0.008224010467529297 +elapsed time for k point: 0.02169322967529297 solve_kpoint (0.1,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -53379,7 +53421,7 @@ iteration 16: trace = 0.2795911378478663 (6.17472e-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: 0.012411355972290039 +elapsed time for k point: 0.03161907196044922 solve_kpoint (0.2,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -53404,7 +53446,7 @@ iteration 10: trace = 0.2611842409470009 (6.08917e-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: 0.0079345703125 +elapsed time for k point: 0.020345449447631836 solve_kpoint (0.3,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -53427,7 +53469,7 @@ iteration 9: trace = 0.2490993774400129 (1.40728e-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: 0.007194042205810547 +elapsed time for k point: 0.018479585647583008 solve_kpoint (0.4,0,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -53448,7 +53490,7 @@ iteration 8: trace = 0.2424457144899839 (6.6136e-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: 0.0064313411712646484 +elapsed time for k point: 0.016479969024658203 solve_kpoint (0.5,0,0): Solving for bands 1 to 2... linmin: converged after 10 iterations. @@ -53469,7 +53511,7 @@ iteration 8: trace = 0.2403442724329469 (2.8709e-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: 0.006463289260864258 +elapsed time for k point: 0.016473770141601562 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -53490,7 +53532,7 @@ iteration 8: trace = 0.2478135698278219 (2.71044e-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: 0.006484270095825195 +elapsed time for k point: 0.016062021255493164 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -53511,7 +53553,7 @@ iteration 8: trace = 0.2687921840070467 (1.52206e-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: 0.006442070007324219 +elapsed time for k point: 0.01597285270690918 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -53532,7 +53574,7 @@ iteration 8: trace = 0.2984106619036125 (7.54322e-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: 0.006478071212768555 +elapsed time for k point: 0.01630425453186035 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. @@ -53555,7 +53597,7 @@ iteration 9: trace = 0.3267691033102513 (4.19601e-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: 0.007180452346801758 +elapsed time for k point: 0.017566204071044922 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. @@ -53578,7 +53620,7 @@ iteration 9: trace = 0.3391341088633687 (2.86776e-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: 0.007189273834228516 +elapsed time for k point: 0.01868414878845215 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -53617,7 +53659,7 @@ iteration 17: trace = 0.3215197827688706 (6.92163e-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: 0.013045549392700195 +elapsed time for k point: 0.03299736976623535 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -53640,7 +53682,7 @@ iteration 9: trace = 0.2901214013723646 (2.08175e-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: 0.0071828365325927734 +elapsed time for k point: 0.01818537712097168 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -53665,7 +53707,7 @@ iteration 10: trace = 0.2708607258851711 (6.14831e-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: 0.007886648178100586 +elapsed time for k point: 0.02008843421936035 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. @@ -53692,7 +53734,7 @@ iteration 11: trace = 0.2750943676881145 (3.71293e-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: 0.008651256561279297 +elapsed time for k point: 0.02173018455505371 solve_kpoint (0,0,0): Solving for bands 2 to 2... linmin: converged after 5 iterations. @@ -53729,11 +53771,11 @@ iteration 16: trace = 0.2982519551492236 (9.19627e-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: 0.006579160690307617 +elapsed time for k point: 0.016640663146972656 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2854038105785692 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4241150516194396 at Vector3<0.5, 0.0, 0.0> to 0.5461244868610305 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.2854038105785692) to band 2 (0.4241150516194396), 39.10008554562137% -total elapsed time for run: 0.12823104858398438 +total elapsed time for run: 0.32590770721435547 done Initializing eigensolver data Computing 2 bands with 1e-12 tolerance @@ -53775,7 +53817,7 @@ 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: 0.0022635459899902344 +elapsed time for initialization: 0.004424571990966797 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... @@ -53810,7 +53852,7 @@ iteration 14: trace = 0.3025956959406486 (2.02162e-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: 0.005903482437133789 +elapsed time for k point: 0.014628171920776367 solve_kpoint (0.1,0,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. @@ -53835,7 +53877,7 @@ iteration 10: trace = 0.3009297177018308 (7.18309e-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: 0.007990837097167969 +elapsed time for k point: 0.019988298416137695 solve_kpoint (0.2,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. @@ -53860,7 +53902,7 @@ iteration 10: trace = 0.2969598361818405 (3.28439e-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: 0.007907390594482422 +elapsed time for k point: 0.01969313621520996 solve_kpoint (0.3,0,0): Solving for bands 1 to 2... linmin: converged after 14 iterations. @@ -53885,7 +53927,7 @@ iteration 10: trace = 0.2926449175807001 (3.66097e-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: 0.007959127426147461 +elapsed time for k point: 0.01951313018798828 solve_kpoint (0.4,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -53908,7 +53950,7 @@ iteration 9: trace = 0.2895143959121309 (5.63712e-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: 0.0072116851806640625 +elapsed time for k point: 0.01813483238220215 solve_kpoint (0.5,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -53929,7 +53971,7 @@ iteration 8: trace = 0.2883886767737718 (2.70445e-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: 0.006472349166870117 +elapsed time for k point: 0.01599597930908203 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -53950,7 +53992,7 @@ iteration 8: trace = 0.2982086196943481 (6.68274e-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: 0.006453037261962891 +elapsed time for k point: 0.016392946243286133 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -53971,7 +54013,7 @@ iteration 8: trace = 0.3264979228223411 (2.75432e-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: 0.006481170654296875 +elapsed time for k point: 0.016462087631225586 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -53992,7 +54034,7 @@ iteration 8: trace = 0.369066417318032 (8.28757e-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: 0.006495952606201172 +elapsed time for k point: 0.020529747009277344 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -54017,7 +54059,7 @@ iteration 10: trace = 0.4155447999210048 (6.05147e-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: 0.007945775985717773 +elapsed time for k point: 0.037232160568237305 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. @@ -54042,7 +54084,7 @@ iteration 10: trace = 0.4398182199057509 (3.19952e-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: 0.007959365844726562 +elapsed time for k point: 0.04460263252258301 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54081,7 +54123,7 @@ iteration 17: trace = 0.4024754384446907 (8.99267e-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: 0.013059616088867188 +elapsed time for k point: 0.06500697135925293 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54104,7 +54146,7 @@ iteration 9: trace = 0.3476919187043949 (5.9919e-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: 0.00719141960144043 +elapsed time for k point: 0.03349041938781738 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54129,7 +54171,7 @@ iteration 10: trace = 0.3124701859233177 (7.26599e-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: 0.007944107055664062 +elapsed time for k point: 0.042310237884521484 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. @@ -54154,7 +54196,7 @@ iteration 10: trace = 0.3014386377955973 (5.1821e-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: 0.00793313980102539 +elapsed time for k point: 0.04116415977478027 solve_kpoint (0,0,0): Solving for bands 2 to 2... linmin: converged after 6 iterations. @@ -54183,15 +54225,15 @@ iteration 12: trace = 0.3025956959406537 (2.06748e-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: 0.005017280578613281 +.elapsed time for k point: 0.03539562225341797 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.3174441229723216 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4615121898996916 at Vector3<0.5, 0.0, 0.0> to 0.5822778105819292 at Vector3<0.5, 0.5, 0.0> Gap from band 1 (0.3174441229723216) to band 2 (0.4615121898996916), 36.99002486960811% -total elapsed time for run: 0.12251138687133789 +total elapsed time for run: 0.46651148796081543 done -/tmp/meepGWbq13/test_maximize_first_tm_gap-0: 0.52s +/tmp/meepGSue4y/test_maximize_first_tm_gap-0: 1.49s -/tmp/meepGWbq13/test_multiply_bloch_in_mpb_data-0 +/tmp/meepGSue4y/test_multiply_bloch_in_mpb_data-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -54234,7 +54276,7 @@ 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: 0.002828359603881836 +elapsed time for initialization: 0.005795001983642578 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... @@ -54345,7 +54387,7 @@ iteration 52: trace = 5.548117725324874 (4.74016e-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: 0.18140220642089844 +elapsed time for k point: 0.4564852714538574 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -54596,7 +54638,7 @@ iteration 121: trace = 5.540497242579405 (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: 0.5393195152282715 +elapsed time for k point: 1.6067683696746826 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -54653,7 +54695,7 @@ iteration 26: trace = 5.499374946276068 (6.759e-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: 0.11629152297973633 +elapsed time for k point: 0.31011223793029785 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -54706,7 +54748,7 @@ iteration 24: trace = 5.48545908008786 (6.15763e-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: 0.10736322402954102 +elapsed time for k point: 0.28671932220458984 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -54767,7 +54809,7 @@ iteration 28: trace = 5.504362091981045 (5.80892e-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: 0.16067790985107422 +elapsed time for k point: 0.35820889472961426 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -54852,7 +54894,7 @@ iteration 40: trace = 5.538866868600049 (9.99485e-11% change) Finished solving for bands 1 to 8 after 40 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: 0.21505951881408691 +elapsed time for k point: 0.4967067241668701 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -54923,7 +54965,7 @@ iteration 33: trace = 5.41979773295833 (8.29052e-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: 0.1515486240386963 +elapsed time for k point: 0.39998960494995117 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -54984,7 +55026,7 @@ iteration 28: trace = 5.240853948733921 (3.70127e-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: 0.12512683868408203 +elapsed time for k point: 0.4782850742340088 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55037,7 +55079,7 @@ iteration 24: trace = 5.096544273410621 (7.59123e-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: 0.10779047012329102 +elapsed time for k point: 0.3070662021636963 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55089,7 +55131,7 @@ iteration 23: trace = 5.00643649634139 (6.08862e-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: 0.10339164733886719 +elapsed time for k point: 0.2995574474334717 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55141,7 +55183,7 @@ iteration 23: trace = 4.975984265381786 (5.44939e-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: 0.10308408737182617 +elapsed time for k point: 0.5683331489562988 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55182,7 +55224,7 @@ iteration 18: trace = 5.036378479895263 (5.47046e-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: 0.08167457580566406 +elapsed time for k point: 0.27952075004577637 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55229,7 +55271,7 @@ iteration 21: trace = 5.206566305891691 (3.92012e-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: 0.09486198425292969 +elapsed time for k point: 0.2709379196166992 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55292,7 +55334,7 @@ iteration 29: trace = 5.417088766409222 (6.15501e-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: 0.12909722328186035 +elapsed time for k point: 0.35244321823120117 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55365,7 +55407,7 @@ iteration 34: trace = 5.522267645664736 (5.17409e-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: 0.1510608196258545 +elapsed time for k point: 0.46248888969421387 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -55560,7 +55602,7 @@ iteration 93: trace = 5.548117725324985 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.3236124515533447 +elapsed time for k point: 0.8062887191772461 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489877 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497226764 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160889 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> @@ -55572,7 +55614,7 @@ Gap from band 2 (0.5931405141160889) to band 3 (0.5931535863117833), 0.002203870977633219% Gap from band 4 (0.8096891551677093) to band 5 (0.8241814443502165), 1.77398249124295% Gap from band 7 (1.0860729323744873) to band 8 (1.0878689635115244), 0.16523267162162025% -total elapsed time for run: 2.6952245235443115 +total elapsed time for run: 7.747589826583862 done Fixing e-field (band 8) phase by 2.59056e-07 + 1i; max ampl. = 1.10099 real part range: -1.10098 .. 1.10098 @@ -55621,7 +55663,7 @@ 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: 0.0028100013732910156 +elapsed time for initialization: 0.006753683090209961 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... @@ -55732,7 +55774,7 @@ iteration 52: trace = 5.548117725324874 (4.74016e-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: 0.18079733848571777 +elapsed time for k point: 0.5058979988098145 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -55983,7 +56025,7 @@ iteration 121: trace = 5.540497242579405 (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: 0.5334968566894531 +elapsed time for k point: 1.510223388671875 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -56040,7 +56082,7 @@ iteration 26: trace = 5.499374946276068 (6.759e-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: 0.11684060096740723 +elapsed time for k point: 0.37119579315185547 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -56093,7 +56135,7 @@ iteration 24: trace = 5.48545908008786 (6.15763e-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: 0.1076192855834961 +elapsed time for k point: 0.3381309509277344 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -56154,7 +56196,7 @@ iteration 28: trace = 5.504362091981045 (5.80892e-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: 0.12480568885803223 +elapsed time for k point: 0.3232541084289551 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -56239,7 +56281,7 @@ iteration 40: trace = 5.538866868600049 (9.99485e-11% change) Finished solving for bands 1 to 8 after 40 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: 0.17676901817321777 +elapsed time for k point: 0.5223093032836914 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -56310,7 +56352,7 @@ iteration 33: trace = 5.41979773295833 (8.29052e-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: 0.14694690704345703 +elapsed time for k point: 0.3751657009124756 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -56371,7 +56413,7 @@ iteration 28: trace = 5.240853948733921 (3.70127e-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: 0.12787771224975586 +elapsed time for k point: 0.31610774993896484 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -56424,7 +56466,7 @@ iteration 24: trace = 5.096544273410621 (7.59123e-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: 0.10777020454406738 +elapsed time for k point: 0.4288930892944336 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -56476,7 +56518,7 @@ iteration 23: trace = 5.00643649634139 (6.08862e-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: 0.1034383773803711 +elapsed time for k point: 0.3245275020599365 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -56528,7 +56570,7 @@ iteration 23: trace = 4.975984265381786 (5.44939e-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: 0.10301947593688965 +elapsed time for k point: 0.26103663444519043 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -56569,7 +56611,7 @@ iteration 18: trace = 5.036378479895263 (5.47046e-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: 0.08169198036193848 +elapsed time for k point: 0.21307086944580078 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -56616,7 +56658,7 @@ iteration 21: trace = 5.206566305891691 (3.92012e-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: 0.0948784351348877 +elapsed time for k point: 0.2803208827972412 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -56679,7 +56721,7 @@ iteration 29: trace = 5.417088766409222 (6.15501e-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: 0.12950634956359863 +elapsed time for k point: 0.33567214012145996 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -56752,7 +56794,7 @@ iteration 34: trace = 5.522267645664736 (5.17409e-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: 0.1515486240386963 +elapsed time for k point: 0.4441955089569092 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -56947,7 +56989,7 @@ iteration 93: trace = 5.548117725324985 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.3208599090576172 +elapsed time for k point: 0.8424015045166016 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489877 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497226764 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160889 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> @@ -56959,7 +57001,7 @@ Gap from band 2 (0.5931405141160889) to band 3 (0.5931535863117833), 0.002203870977633219% Gap from band 4 (0.8096891551677093) to band 5 (0.8241814443502165), 1.77398249124295% Gap from band 7 (1.0860729323744873) to band 8 (1.0878689635115244), 0.16523267162162025% -total elapsed time for run: 2.611541509628296 +total elapsed time for run: 7.4011406898498535 done Fixing e-field (band 8) phase by 2.59056e-07 + 1i; max ampl. = 1.10099 real part range: -1.10098 .. 1.10098 @@ -56968,9 +57010,9 @@ imag part range: -0.00766496 .. 0.00870069 real part range: 0 .. 0 imag part range: 0 .. 0 -./tmp/meepGWbq13/test_multiply_bloch_in_mpb_data-0: 5.38s +./tmp/meepGSue4y/test_multiply_bloch_in_mpb_data-0: 15.35s -/tmp/meepGWbq13/test_multiply_bloch_phase-0 +/tmp/meepGSue4y/test_multiply_bloch_phase-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -57013,7 +57055,7 @@ 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: 0.0028586387634277344 +elapsed time for initialization: 0.006102800369262695 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... @@ -57124,7 +57166,7 @@ iteration 52: trace = 5.548117725324874 (4.74016e-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: 0.18201065063476562 +elapsed time for k point: 0.5304281711578369 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -57375,7 +57417,7 @@ iteration 121: trace = 5.540497242579405 (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: 0.5313174724578857 +elapsed time for k point: 1.7920830249786377 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -57432,7 +57474,7 @@ iteration 26: trace = 5.499374946276068 (6.759e-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: 0.11653494834899902 +elapsed time for k point: 0.3251323699951172 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -57485,7 +57527,7 @@ iteration 24: trace = 5.48545908008786 (6.15763e-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: 0.11054635047912598 +elapsed time for k point: 0.2799715995788574 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -57546,7 +57588,7 @@ iteration 28: trace = 5.504362091981045 (5.80892e-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: 0.12464022636413574 +elapsed time for k point: 0.320145845413208 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -57631,7 +57673,7 @@ iteration 40: trace = 5.538866868600049 (9.99485e-11% change) Finished solving for bands 1 to 8 after 40 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: 0.1766502857208252 +elapsed time for k point: 0.8445835113525391 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -57702,7 +57744,7 @@ iteration 33: trace = 5.41979773295833 (8.29052e-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: 0.1464521884918213 +elapsed time for k point: 0.727837085723877 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -57763,7 +57805,7 @@ iteration 28: trace = 5.240853948733921 (3.70127e-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: 0.12460947036743164 +elapsed time for k point: 0.288729190826416 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -57816,7 +57858,7 @@ iteration 24: trace = 5.096544273410621 (7.59123e-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: 0.10747385025024414 +elapsed time for k point: 0.2544395923614502 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -57868,7 +57910,7 @@ iteration 23: trace = 5.00643649634139 (6.08862e-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: 0.10319972038269043 +elapsed time for k point: 0.4313485622406006 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -57920,7 +57962,7 @@ iteration 23: trace = 4.975984265381786 (5.44939e-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: 0.10272955894470215 +elapsed time for k point: 0.2606685161590576 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -57961,7 +58003,7 @@ iteration 18: trace = 5.036378479895263 (5.47046e-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: 0.08138322830200195 +elapsed time for k point: 0.2069110870361328 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58008,7 +58050,7 @@ iteration 21: trace = 5.206566305891691 (3.92012e-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: 0.09461736679077148 +elapsed time for k point: 0.316619873046875 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58071,7 +58113,7 @@ iteration 29: trace = 5.417088766409222 (6.15501e-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: 0.12907719612121582 +elapsed time for k point: 0.3308827877044678 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58144,7 +58186,7 @@ iteration 34: trace = 5.522267645664736 (5.17409e-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: 0.1508800983428955 +elapsed time for k point: 0.5146722793579102 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -58339,7 +58381,7 @@ iteration 93: trace = 5.548117725324985 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.3212158679962158 +elapsed time for k point: 1.009450912475586 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489877 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497226764 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160889 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> @@ -58351,12 +58393,12 @@ Gap from band 2 (0.5931405141160889) to band 3 (0.5931535863117833), 0.002203870977633219% Gap from band 4 (0.8096891551677093) to band 5 (0.8241814443502165), 1.77398249124295% Gap from band 7 (1.0860729323744873) to band 8 (1.0878689635115244), 0.16523267162162025% -total elapsed time for run: 2.6070408821105957 +total elapsed time for run: 8.441903829574585 done Fixing e-field (band 8) phase by 2.59056e-07 + 1i; max ampl. = 1.10099 -./tmp/meepGWbq13/test_multiply_bloch_phase-0: 2.61s +./tmp/meepGSue4y/test_multiply_bloch_phase-0: 8.45s -/tmp/meepGWbq13/test_output_charge_density-0 +/tmp/meepGSue4y/test_output_charge_density-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -58399,7 +58441,7 @@ 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: 0.0028378963470458984 +elapsed time for initialization: 0.006066560745239258 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... @@ -58510,7 +58552,7 @@ iteration 52: trace = 5.548117725324874 (4.74016e-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: 0.18489694595336914 +elapsed time for k point: 0.6755542755126953 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -58761,7 +58803,7 @@ iteration 121: trace = 5.540497242579405 (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: 0.5318348407745361 +elapsed time for k point: 1.6058018207550049 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58818,7 +58860,7 @@ iteration 26: trace = 5.499374946276068 (6.759e-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: 0.11696529388427734 +elapsed time for k point: 0.3475031852722168 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58871,7 +58913,7 @@ iteration 24: trace = 5.48545908008786 (6.15763e-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: 0.10805130004882812 +elapsed time for k point: 0.2747206687927246 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58932,7 +58974,7 @@ iteration 28: trace = 5.504362091981045 (5.80892e-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: 0.12513351440429688 +elapsed time for k point: 0.37283897399902344 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -59017,7 +59059,7 @@ iteration 40: trace = 5.538866868600049 (9.99485e-11% change) Finished solving for bands 1 to 8 after 40 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: 0.1773362159729004 +elapsed time for k point: 0.6969757080078125 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -59088,7 +59130,7 @@ iteration 33: trace = 5.41979773295833 (8.29052e-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: 0.1472795009613037 +elapsed time for k point: 0.5318443775177002 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -59149,7 +59191,7 @@ iteration 28: trace = 5.240853948733921 (3.70127e-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: 0.12534189224243164 +elapsed time for k point: 0.35927414894104004 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -59202,7 +59244,7 @@ iteration 24: trace = 5.096544273410621 (7.59123e-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: 0.10797977447509766 +elapsed time for k point: 0.2844257354736328 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -59254,7 +59296,7 @@ iteration 23: trace = 5.00643649634139 (6.08862e-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: 0.10353541374206543 +elapsed time for k point: 0.26768922805786133 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -59306,7 +59348,7 @@ iteration 23: trace = 4.975984265381786 (5.44939e-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: 0.10312819480895996 +elapsed time for k point: 0.26747632026672363 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -59347,7 +59389,7 @@ iteration 18: trace = 5.036378479895263 (5.47046e-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: 0.08171725273132324 +elapsed time for k point: 0.2099285125732422 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -59394,7 +59436,7 @@ iteration 21: trace = 5.206566305891691 (3.92012e-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: 0.10025763511657715 +elapsed time for k point: 0.2495718002319336 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -59457,7 +59499,7 @@ iteration 29: trace = 5.417088766409222 (6.15501e-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: 0.12977099418640137 +elapsed time for k point: 0.34508824348449707 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -59530,7 +59572,7 @@ iteration 34: trace = 5.522267645664736 (5.17409e-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: 0.15154552459716797 +elapsed time for k point: 0.485595703125 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -59725,7 +59767,7 @@ iteration 93: trace = 5.548117725324985 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.3208634853363037 +elapsed time for k point: 0.9371602535247803 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489877 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497226764 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160889 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> @@ -59737,13 +59779,13 @@ Gap from band 2 (0.5931405141160889) to band 3 (0.5931535863117833), 0.002203870977633219% Gap from band 4 (0.8096891551677093) to band 5 (0.8241814443502165), 1.77398249124295% Gap from band 7 (1.0860729323744873) to band 8 (1.0878689635115244), 0.16523267162162025% -total elapsed time for run: 2.619614362716675 +total elapsed time for run: 7.919589519500732 done Fixing e-field (band 8) phase by 2.59056e-07 + 1i; max ampl. = 1.10099 -.Outputting complex scalar field to /tmp/meepGWbq13/test_output_charge_density-0-C.k16.b08.te.h5... -/tmp/meepGWbq13/test_output_charge_density-0: 2.63s +.Outputting complex scalar field to /tmp/meepGSue4y/test_output_charge_density-0-C.k16.b08.te.h5... +/tmp/meepGSue4y/test_output_charge_density-0: 7.94s -/tmp/meepGWbq13/test_output_dpwr_in_objects-0 +/tmp/meepGSue4y/test_output_dpwr_in_objects-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -59786,7 +59828,7 @@ 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: 0.0028493404388427734 +elapsed time for initialization: 0.0065860748291015625 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... @@ -59897,12 +59939,12 @@ iteration 52: trace = 5.548117725324874 (4.74016e-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: 0.18134164810180664 +elapsed time for k point: 0.4599320888519287 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, 0.5527092320102549, 0.8567435000049454 -Outputting fields to /tmp/meepGWbq13/test_output_dpwr_in_objects-0-d.k01.b02.te.h5... +Outputting fields to /tmp/meepGSue4y/test_output_dpwr_in_objects-0-d.k01.b02.te.h5... D-energy-components:, 1, 3, 0.455928, 0.544072, 0 dpwr:, 3, 0.773226559306942, 0.528826055798308 D-energy-components:, 1, 4, 0.544076, 0.455924, 0 @@ -60165,7 +60207,7 @@ iteration 121: trace = 5.540497242579405 (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: 0.5354161262512207 +elapsed time for k point: 1.8663253784179688 D-energy-components:, 2, 1, 0.0311142, 0.968886, 0 dpwr:, 1, 0.08973322605272574, 0.04603176935253569 D-energy-components:, 2, 2, 0.488088, 0.511912, 0 @@ -60238,7 +60280,7 @@ iteration 26: trace = 5.499374946276068 (6.759e-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: 0.11792516708374023 +elapsed time for k point: 0.29862546920776367 D-energy-components:, 3, 1, 0.0363561, 0.963644, 0 dpwr:, 1, 0.1786920044640264, 0.05442207263324207 D-energy-components:, 3, 2, 0.446363, 0.553637, 0 @@ -60307,7 +60349,7 @@ iteration 24: trace = 5.48545908008786 (6.15763e-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: 0.10869741439819336 +elapsed time for k point: 0.27708888053894043 D-energy-components:, 4, 1, 0.0468976, 0.953102, 0 dpwr:, 1, 0.26579760671574754, 0.07189021129173066 D-energy-components:, 4, 2, 0.35602, 0.64398, 0 @@ -60384,7 +60426,7 @@ iteration 28: trace = 5.504362091981045 (5.80892e-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: 0.12602853775024414 +elapsed time for k point: 0.4396336078643799 D-energy-components:, 5, 1, 0.0662302, 0.93377, 0 dpwr:, 1, 0.34895594992452605, 0.10384524472152631 D-energy-components:, 5, 2, 0.226367, 0.773633, 0 @@ -60485,7 +60527,7 @@ iteration 40: trace = 5.538866868600049 (9.99485e-11% change) Finished solving for bands 1 to 8 after 40 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: 0.18668675422668457 +elapsed time for k point: 0.617600679397583 D-energy-components:, 6, 1, 0.0773009, 0.922699, 0 dpwr:, 1, 0.41279067126554697, 0.08603997803833881 D-energy-components:, 6, 2, 0.165167, 0.834833, 0 @@ -60572,7 +60614,7 @@ iteration 33: trace = 5.41979773295833 (8.29052e-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: 0.14789390563964844 +elapsed time for k point: 0.619612455368042 D-energy-components:, 7, 1, 0.12807, 0.87193, 0 dpwr:, 1, 0.4237414613237788, 0.08405292710461983 D-energy-components:, 7, 2, 0.190236, 0.809764, 0 @@ -60649,7 +60691,7 @@ iteration 28: trace = 5.240853948733921 (3.70127e-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: 0.12581443786621094 +elapsed time for k point: 0.33960580825805664 D-energy-components:, 8, 1, 0.253956, 0.746044, 0 dpwr:, 1, 0.45478127251547157, 0.08020083733719262 D-energy-components:, 8, 2, 0.258536, 0.741464, 0 @@ -60718,7 +60760,7 @@ iteration 24: trace = 5.096544273410621 (7.59123e-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: 0.10851836204528809 +elapsed time for k point: 0.2743489742279053 D-energy-components:, 9, 1, 0.353246, 0.646754, 0 dpwr:, 1, 0.47376659593612197, 0.5125827722132725 D-energy-components:, 9, 2, 0.406264, 0.593736, 0 @@ -60786,7 +60828,7 @@ iteration 23: trace = 5.00643649634139 (6.08862e-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: 0.10417723655700684 +elapsed time for k point: 0.2760782241821289 D-energy-components:, 10, 1, 0.450645, 0.549355, 0 dpwr:, 1, 0.4896492003298962, 0.6285469371615329 D-energy-components:, 10, 2, 0.55965, 0.44035, 0 @@ -60854,7 +60896,7 @@ iteration 23: trace = 4.975984265381786 (5.44939e-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: 0.10385608673095703 +elapsed time for k point: 0.26367735862731934 D-energy-components:, 11, 1, 0.500002, 0.499998, 0 dpwr:, 1, 0.49683586474489877, 0.6986360262353928 D-energy-components:, 11, 2, 0.490408, 0.509592, 0 @@ -60911,7 +60953,7 @@ iteration 18: trace = 5.036378479895263 (5.47046e-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: 0.08224821090698242 +elapsed time for k point: 0.20804238319396973 D-energy-components:, 12, 1, 0.500001, 0.499999, 0 dpwr:, 1, 0.4709868954434175, 0.4184573101767129 D-energy-components:, 12, 2, 0.5, 0.5, 0 @@ -60974,7 +61016,7 @@ iteration 21: trace = 5.206566305891691 (3.92012e-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: 0.09555172920227051 +elapsed time for k point: 0.3665757179260254 D-energy-components:, 13, 1, 0.499999, 0.500001, 0 dpwr:, 1, 0.372434676912902, 0.12237408338023685 D-energy-components:, 13, 2, 0.500002, 0.499998, 0 @@ -61053,7 +61095,7 @@ iteration 29: trace = 5.417088766409222 (6.15501e-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: 0.1303236484527588 +elapsed time for k point: 0.3406412601470947 D-energy-components:, 14, 1, 0.499999, 0.500001, 0 dpwr:, 1, 0.25208809622874284, 0.065372229886201 D-energy-components:, 14, 2, 0.500003, 0.499997, 0 @@ -61142,7 +61184,7 @@ iteration 34: trace = 5.522267645664736 (5.17409e-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: 0.1522982120513916 +elapsed time for k point: 0.3993794918060303 D-energy-components:, 15, 1, 0.499999, 0.500001, 0 dpwr:, 1, 0.12684106903469353, 0.04795279770419718 D-energy-components:, 15, 2, 0.500003, 0.499997, 0 @@ -61353,12 +61395,12 @@ iteration 93: trace = 5.548117725324985 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.32133054733276367 +elapsed time for k point: 0.9838778972625732 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, 0.552709232010199, 0.8567434642231009 -Outputting fields to /tmp/meepGWbq13/test_output_dpwr_in_objects-0-d.k16.b02.te.h5... +Outputting fields to /tmp/meepGSue4y/test_output_dpwr_in_objects-0-d.k16.b02.te.h5... D-energy-components:, 16, 3, 0.455928, 0.544072, 0 dpwr:, 3, 0.7732265593069757, 0.5288260828553547 D-energy-components:, 16, 4, 0.544076, 0.455924, 0 @@ -61382,11 +61424,11 @@ Gap from band 2 (0.5931405141160889) to band 3 (0.5931535863117833), 0.002203870977633219% Gap from band 4 (0.8096891551677093) to band 5 (0.8241814443502165), 1.77398249124295% Gap from band 7 (1.0860729323744873) to band 8 (1.0878689635115244), 0.16523267162162025% -total elapsed time for run: 2.7919230461120605 +total elapsed time for run: 8.375884532928467 done -/tmp/meepGWbq13/test_output_dpwr_in_objects-0: 2.79s +/tmp/meepGSue4y/test_output_dpwr_in_objects-0: 8.38s -/tmp/meepGWbq13/test_output_efield_z-0 +/tmp/meepGSue4y/test_output_efield_z-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -61429,7 +61471,7 @@ 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: 0.0028238296508789062 +elapsed time for initialization: 0.005995750427246094 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... @@ -61565,7 +61607,7 @@ iteration 61: trace = 4.373720851032935 (3.72636e-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: 0.2146906852722168 +elapsed time for k point: 0.5436713695526123 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -61616,7 +61658,7 @@ iteration 23: trace = 4.290857263081674 (9.18222e-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: 0.10924172401428223 +elapsed time for k point: 0.2639946937561035 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -61647,7 +61689,7 @@ iteration 13: trace = 4.208307958519126 (3.87705e-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: 0.059970855712890625 +elapsed time for k point: 0.15258479118347168 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -61678,7 +61720,7 @@ iteration 13: trace = 4.150444015828809 (1.03146e-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: 0.05986499786376953 +elapsed time for k point: 0.22951173782348633 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -61709,7 +61751,7 @@ iteration 13: trace = 4.119598598621692 (1.07152e-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: 0.059882402420043945 +elapsed time for k point: 0.21170639991760254 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -61740,7 +61782,7 @@ iteration 13: trace = 4.110777242725125 (6.68925e-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: 0.05986666679382324 +elapsed time for k point: 0.15126729011535645 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -61769,7 +61811,7 @@ iteration 12: trace = 4.0994899642748 (2.49804e-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: 0.05551552772521973 +elapsed time for k point: 0.1402881145477295 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -61796,7 +61838,7 @@ iteration 11: trace = 4.079452895803482 (8.21458e-11% change) Finished solving for bands 1 to 8 after 11 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.25442, 0.441321, 0.535034, 0.706018, 0.772267, 0.845818, 0.862861, 0.989395 -elapsed time for k point: 0.05117154121398926 +elapsed time for k point: 0.13095831871032715 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -61825,7 +61867,7 @@ 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: 0.05545997619628906 +elapsed time for k point: 0.18446850776672363 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -61858,7 +61900,7 @@ iteration 14: trace = 4.07552694934967 (2.61298e-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: 0.06411409378051758 +elapsed time for k point: 0.16686058044433594 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -61893,7 +61935,7 @@ iteration 15: trace = 4.092150433618252 (9.12672e-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: 0.0686192512512207 +elapsed time for k point: 0.18025922775268555 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -61930,7 +61972,7 @@ iteration 16: trace = 4.046652183676487 (2.11583e-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: 0.07297706604003906 +elapsed time for k point: 0.19324970245361328 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -61959,7 +62001,7 @@ iteration 12: trace = 4.044513236396849 (3.20398e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.236529, 0.473888, 0.515941, 0.679199, 0.819377, 0.829518, 0.897603, 0.933446 -elapsed time for k point: 0.05544590950012207 +elapsed time for k point: 0.17443156242370605 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -61988,7 +62030,7 @@ iteration 12: trace = 4.113415259755491 (2.54788e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.172884, 0.482973, 0.533242, 0.640233, 0.819202, 0.838111, 0.910409, 0.976551 -elapsed time for k point: 0.055550575256347656 +elapsed time for k point: 0.15355968475341797 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62021,7 +62063,7 @@ iteration 14: trace = 4.240749642028247 (2.11115e-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: 0.06438708305358887 +elapsed time for k point: 0.1696763038635254 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. @@ -62153,7 +62195,7 @@ iteration 59: trace = 4.373720851594641 (8.85798e-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: 0.206679105758667 +elapsed time for k point: 0.5259168148040771 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.28094795352537405 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.41711424932466357 at Vector3<0.5, 0.0, 0.0> to 0.5460267793370319 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.4961974527654609 at Vector3<0.5, 0.5, 0.0> to 0.5576576362977237 at Vector3<0.5, 0.0, 0.0> @@ -62164,13 +62206,13 @@ Band 8 range: 0.8793510958294798 at Vector3<0.5, 0.5, 0.0> to 1.0825923841452598 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.28094795352537405) to band 2 (0.41711424932466357), 39.0126539564388% Gap from band 4 (0.7133951516423509) to band 5 (0.7413109657068664), 3.8380005049245294% -total elapsed time for run: 1.3172810077667236 +total elapsed time for run: 3.580336332321167 done Fixing e-field (band 8) phase by 2.54672e-08 + -1i; max ampl. = 1.49941 -.Outputting fields to /tmp/meepGWbq13/test_output_efield_z-0-e.k16.b08.z.tm.h5... -/tmp/meepGWbq13/test_output_efield_z-0: 1.33s +.Outputting fields to /tmp/meepGSue4y/test_output_efield_z-0-e.k16.b08.z.tm.h5... +/tmp/meepGSue4y/test_output_efield_z-0: 3.61s -/tmp/meepGWbq13/test_output_field_to_file-0 +/tmp/meepGSue4y/test_output_field_to_file-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -62213,7 +62255,7 @@ 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: 0.0028717517852783203 +elapsed time for initialization: 0.018308401107788086 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... @@ -62324,7 +62366,7 @@ iteration 52: trace = 5.548117725324874 (4.74016e-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: 0.18240094184875488 +elapsed time for k point: 0.6355235576629639 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62575,7 +62617,7 @@ iteration 121: trace = 5.540497242579405 (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: 0.5308380126953125 +elapsed time for k point: 1.406038522720337 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -62632,7 +62674,7 @@ iteration 26: trace = 5.499374946276068 (6.759e-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: 0.23494935035705566 +elapsed time for k point: 0.3068671226501465 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -62685,7 +62727,7 @@ iteration 24: trace = 5.48545908008786 (6.15763e-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: 0.10741019248962402 +elapsed time for k point: 0.27640652656555176 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -62746,7 +62788,7 @@ iteration 28: trace = 5.504362091981045 (5.80892e-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: 0.12451171875 +elapsed time for k point: 0.3188190460205078 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -62831,7 +62873,7 @@ iteration 40: trace = 5.538866868600049 (9.99485e-11% change) Finished solving for bands 1 to 8 after 40 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: 0.17674565315246582 +elapsed time for k point: 0.45391321182250977 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62902,7 +62944,7 @@ iteration 33: trace = 5.41979773295833 (8.29052e-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: 0.14685916900634766 +elapsed time for k point: 0.3792436122894287 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -62963,7 +63005,7 @@ iteration 28: trace = 5.240853948733921 (3.70127e-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: 0.12487125396728516 +elapsed time for k point: 0.48597264289855957 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63016,7 +63058,7 @@ iteration 24: trace = 5.096544273410621 (7.59123e-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: 0.10756850242614746 +elapsed time for k point: 0.4136769771575928 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63068,7 +63110,7 @@ iteration 23: trace = 5.00643649634139 (6.08862e-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: 0.10327529907226562 +elapsed time for k point: 0.2659187316894531 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63120,7 +63162,7 @@ iteration 23: trace = 4.975984265381786 (5.44939e-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: 0.10250663757324219 +elapsed time for k point: 0.3486037254333496 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63161,7 +63203,7 @@ iteration 18: trace = 5.036378479895263 (5.47046e-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: 0.08132004737854004 +elapsed time for k point: 0.3373849391937256 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63208,7 +63250,7 @@ iteration 21: trace = 5.206566305891691 (3.92012e-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: 0.09465861320495605 +elapsed time for k point: 0.24353289604187012 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63271,7 +63313,7 @@ iteration 29: trace = 5.417088766409222 (6.15501e-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: 0.1292896270751953 +elapsed time for k point: 0.5423099994659424 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63344,7 +63386,7 @@ iteration 34: trace = 5.522267645664736 (5.17409e-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: 0.1511695384979248 +elapsed time for k point: 0.5280239582061768 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -63539,7 +63581,7 @@ iteration 93: trace = 5.548117725324985 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.32066845893859863 +elapsed time for k point: 0.8532969951629639 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489877 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497226764 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160889 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> @@ -63551,13 +63593,13 @@ Gap from band 2 (0.5931405141160889) to band 3 (0.5931535863117833), 0.002203870977633219% Gap from band 4 (0.8096891551677093) to band 5 (0.8241814443502165), 1.77398249124295% Gap from band 7 (1.0860729323744873) to band 8 (1.0878689635115244), 0.16523267162162025% -total elapsed time for run: 2.7231199741363525 +total elapsed time for run: 7.815814733505249 done epsilon: 1-12, mean 2.38229, harm. mean 1.1448, 14.5508% > 1, 12.5663% "fill" -.Outputting /tmp/meepGWbq13/test_output_field_to_file-0-epsilon.h5... -/tmp/meepGWbq13/test_output_field_to_file-0: 2.74s +.Outputting /tmp/meepGSue4y/test_output_field_to_file-0-epsilon.h5... +/tmp/meepGSue4y/test_output_field_to_file-0: 7.93s -/tmp/meepGWbq13/test_output_tot_pwr-0 +/tmp/meepGSue4y/test_output_tot_pwr-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -63600,7 +63642,7 @@ 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: 0.0029006004333496094 +elapsed time for initialization: 0.014001131057739258 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... @@ -63711,7 +63753,7 @@ iteration 52: trace = 5.548117725324874 (4.74016e-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: 0.1824023723602295 +elapsed time for k point: 0.8732855319976807 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -63962,7 +64004,7 @@ iteration 121: trace = 5.540497242579405 (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: 0.5303165912628174 +elapsed time for k point: 1.8246276378631592 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -64019,7 +64061,7 @@ iteration 26: trace = 5.499374946276068 (6.759e-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: 0.11637377738952637 +elapsed time for k point: 0.34638381004333496 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -64072,7 +64114,7 @@ iteration 24: trace = 5.48545908008786 (6.15763e-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: 0.10748696327209473 +elapsed time for k point: 0.4124748706817627 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -64133,7 +64175,7 @@ iteration 28: trace = 5.504362091981045 (5.80892e-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: 0.1279735565185547 +elapsed time for k point: 0.32142019271850586 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -64218,7 +64260,7 @@ iteration 40: trace = 5.538866868600049 (9.99485e-11% change) Finished solving for bands 1 to 8 after 40 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: 0.17645668983459473 +elapsed time for k point: 0.48186182975769043 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -64289,7 +64331,7 @@ iteration 33: trace = 5.41979773295833 (8.29052e-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: 0.14634370803833008 +elapsed time for k point: 0.37549400329589844 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -64350,7 +64392,7 @@ iteration 28: trace = 5.240853948733921 (3.70127e-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: 0.12451648712158203 +elapsed time for k point: 0.39998817443847656 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -64403,7 +64445,7 @@ iteration 24: trace = 5.096544273410621 (7.59123e-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: 0.1075434684753418 +elapsed time for k point: 0.44168710708618164 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -64455,7 +64497,7 @@ iteration 23: trace = 5.00643649634139 (6.08862e-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: 0.1031191349029541 +elapsed time for k point: 0.45116186141967773 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -64507,7 +64549,7 @@ iteration 23: trace = 4.975984265381786 (5.44939e-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: 0.10258865356445312 +elapsed time for k point: 0.2668900489807129 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -64548,7 +64590,7 @@ iteration 18: trace = 5.036378479895263 (5.47046e-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: 0.08129286766052246 +elapsed time for k point: 0.2696669101715088 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -64595,7 +64637,7 @@ iteration 21: trace = 5.206566305891691 (3.92012e-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: 0.09449458122253418 +elapsed time for k point: 0.30274438858032227 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -64658,7 +64700,7 @@ iteration 29: trace = 5.417088766409222 (6.15501e-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: 0.12926554679870605 +elapsed time for k point: 0.4811093807220459 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -64731,7 +64773,7 @@ iteration 34: trace = 5.522267645664736 (5.17409e-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: 0.15070700645446777 +elapsed time for k point: 0.6368215084075928 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -64926,7 +64968,7 @@ iteration 93: trace = 5.548117725324985 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.32277441024780273 +elapsed time for k point: 0.8987762928009033 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489877 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497226764 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160889 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> @@ -64938,16 +64980,16 @@ Gap from band 2 (0.5931405141160889) to band 3 (0.5931535863117833), 0.002203870977633219% Gap from band 4 (0.8096891551677093) to band 5 (0.8241814443502165), 1.77398249124295% Gap from band 7 (1.0860729323744873) to band 8 (1.0878689635115244), 0.16523267162162025% -total elapsed time for run: 2.6077675819396973 +total elapsed time for run: 8.800554275512695 done D-energy-components:, 16, 8, 0.499991, 0.500009, 0 B-energy-components:, 16, 8, 0, 0, 1 -Outputting /tmp/meepGWbq13/test_output_tot_pwr-0-tot.rpwr.k16.b08.te.h5... +Outputting /tmp/meepGSue4y/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/meepGWbq13/test_output_tot_pwr-0: 2.62s +./tmp/meepGSue4y/test_output_tot_pwr-0: 8.84s -/tmp/meepGWbq13/test_point_defect_state-0 +/tmp/meepGSue4y/test_point_defect_state-0 ======================== Initializing eigensolver data Computing 50 bands with 1e-12 tolerance @@ -65025,7 +65067,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.051946163177490234 +elapsed time for initialization: 0.2596747875213623 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... @@ -65864,11 +65906,11 @@ 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: 31.672574996948242 -total elapsed time for run: 31.72482419013977 +elapsed time for k point: 130.15966939926147 +total elapsed time for run: 130.42976236343384 done Fixing e-field (band 25) phase by -0.24413 + -0.969742i; max ampl. = 0.816569 -Outputting fields to /tmp/meepGWbq13/test_point_defect_state-0-e.k01.b25.z.tm.h5... +Outputting fields to /tmp/meepGSue4y/test_point_defect_state-0-e.k01.b25.z.tm.h5... Fixing d-field (band 25) phase by -1 + 2.78381e-07i; max ampl. = 3.30563 D-energy-components:, 1, 25, 0, 0, 1 Initializing eigensolver data @@ -65948,7 +65990,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.01882147789001465 +elapsed time for initialization: 0.03682279586791992 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -66322,8 +66364,8 @@ iteration 159: trace = 0.0004139236165391841 (6.1302e-07% change) Finished solving for bands 1 to 1 after 159 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.3773 -elapsed time for k point: 1.017801284790039 -total elapsed time for run: 1.03670072555542 +elapsed time for k point: 3.5392050743103027 +total elapsed time for run: 3.5761778354644775 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -66403,7 +66445,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.018486976623535156 +elapsed time for initialization: 0.03637528419494629 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -66777,8 +66819,8 @@ iteration 159: trace = 0.0004139236165391841 (6.1302e-07% change) Finished solving for bands 1 to 1 after 159 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.3773 -elapsed time for k point: 1.0320777893066406 -total elapsed time for run: 1.0506393909454346 +elapsed time for k point: 3.4018397331237793 +total elapsed time for run: 3.4383583068847656 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -66858,7 +66900,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.018224239349365234 +elapsed time for initialization: 0.035253286361694336 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -67303,8 +67345,8 @@ iteration 187: trace = 0.001795102514608297 (4.93458e-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: 1.1783421039581299 -total elapsed time for run: 1.1966500282287598 +elapsed time for k point: 3.1405088901519775 +total elapsed time for run: 3.17587947845459 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -67384,7 +67426,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.01768660545349121 +elapsed time for initialization: 0.029276132583618164 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -67717,8 +67759,8 @@ iteration 144: trace = 0.0009724596426332791 (7.79278e-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: 0.8903985023498535 -total elapsed time for run: 0.9081611633300781 +elapsed time for k point: 2.2787065505981445 +total elapsed time for run: 2.3080670833587646 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -67798,7 +67840,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.0177614688873291 +elapsed time for initialization: 0.028867483139038086 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -68099,8 +68141,8 @@ iteration 130: trace = 0.0004433872992476794 (9.26878e-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: 0.8086161613464355 -total elapsed time for run: 0.8264529705047607 +elapsed time for k point: 2.085970163345337 +total elapsed time for run: 2.114943504333496 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -68180,7 +68222,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.017602205276489258 +elapsed time for initialization: 0.02868199348449707 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -68515,8 +68557,8 @@ iteration 142: trace = 0.0007053630328314599 (5.34147e-07% change) Finished solving for bands 1 to 1 after 142 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.308953 -elapsed time for k point: 0.9065465927124023 -total elapsed time for run: 0.9242274761199951 +elapsed time for k point: 2.2633135318756104 +total elapsed time for run: 2.292185068130493 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -68596,7 +68638,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.01764845848083496 +elapsed time for initialization: 0.029018163681030273 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -68921,8 +68963,8 @@ iteration 139: trace = 0.0005431761082614576 (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: 0.8681607246398926 -total elapsed time for run: 0.8858835697174072 +elapsed time for k point: 2.2506673336029053 +total elapsed time for run: 2.2797577381134033 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -69002,7 +69044,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.017680883407592773 +elapsed time for initialization: 0.029276609420776367 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -69326,8 +69368,8 @@ iteration 138: trace = 0.0006236677264374859 (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: 0.8762130737304688 -total elapsed time for run: 0.8939673900604248 +elapsed time for k point: 2.266079902648926 +total elapsed time for run: 2.295504331588745 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -69407,7 +69449,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.017630338668823242 +elapsed time for initialization: 0.0287020206451416 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -69731,8 +69773,8 @@ iteration 139: trace = 0.0005435712197209183 (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: 0.8634271621704102 -total elapsed time for run: 0.8811335563659668 +elapsed time for k point: 2.174981117248535 +total elapsed time for run: 2.203794240951538 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -69812,7 +69854,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.01795792579650879 +elapsed time for initialization: 0.02879786491394043 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -70130,8 +70172,8 @@ iteration 136: trace = 0.0005834221953899297 (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: 0.853229284286499 -total elapsed time for run: 0.8712625503540039 +elapsed time for k point: 2.12998104095459 +total elapsed time for run: 2.158958673477173 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -70211,7 +70253,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.01752018928527832 +elapsed time for initialization: 0.02885723114013672 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -70535,8 +70577,8 @@ iteration 139: trace = 0.0005435714921653862 (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: 0.8736908435821533 -total elapsed time for run: 0.8912837505340576 +elapsed time for k point: 2.162712812423706 +total elapsed time for run: 2.191666603088379 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -70616,7 +70658,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.018255949020385742 +elapsed time for initialization: 0.02837657928466797 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -70950,8 +70992,8 @@ iteration 145: trace = 0.0005634408794978012 (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: 0.9351387023925781 -total elapsed time for run: 0.9534807205200195 +elapsed time for k point: 2.228576421737671 +total elapsed time for run: 2.2570436000823975 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -71031,7 +71073,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.01853322982788086 +elapsed time for initialization: 0.028232097625732422 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -71355,8 +71397,8 @@ iteration 139: trace = 0.0005435714922125616 (7.00913e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159 -elapsed time for k point: 1.0124332904815674 -total elapsed time for run: 1.0310535430908203 +elapsed time for k point: 2.122570753097534 +total elapsed time for run: 2.1508166790008545 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -71436,7 +71478,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.017571210861206055 +elapsed time for initialization: 0.028177976608276367 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -71760,12 +71802,12 @@ iteration 139: trace = 0.0005435714922125616 (7.00913e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159 -.elapsed time for k point: 1.846142292022705 -total elapsed time for run: 1.8638181686401367 +.elapsed time for k point: 2.1322555541992188 +total elapsed time for run: 2.160517454147339 done -/tmp/meepGWbq13/test_point_defect_state-0: 45.97s +/tmp/meepGSue4y/test_point_defect_state-0: 165.12s -/tmp/meepGWbq13/test_poynting-0 +/tmp/meepGSue4y/test_poynting-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -71808,7 +71850,7 @@ 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: 0.004281520843505859 +elapsed time for initialization: 0.005065441131591797 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... @@ -71919,7 +71961,7 @@ iteration 52: trace = 5.548117725324874 (4.74016e-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: 0.37848377227783203 +elapsed time for k point: 0.37121057510375977 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -72170,7 +72212,7 @@ iteration 121: trace = 5.540497242579405 (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: 0.9449396133422852 +elapsed time for k point: 1.1172637939453125 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -72227,7 +72269,7 @@ iteration 26: trace = 5.499374946276068 (6.759e-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: 0.20361781120300293 +elapsed time for k point: 0.2450251579284668 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -72280,7 +72322,7 @@ iteration 24: trace = 5.48545908008786 (6.15763e-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: 0.19212698936462402 +elapsed time for k point: 0.22674107551574707 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -72341,7 +72383,7 @@ iteration 28: trace = 5.504362091981045 (5.80892e-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: 0.2241361141204834 +elapsed time for k point: 0.2630336284637451 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -72426,712 +72468,743 @@ iteration 40: trace = 5.538866868600049 (9.99485e-11% change) Finished solving for bands 1 to 8 after 40 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: 0.3107333183288574 +elapsed time for k point: 0.3729250431060791 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847156877346 (1.61896% change) linmin: converged after 5 iterations. - switching to approximate line minimization (decrease time by 92.2541%) iteration 2: trace = 5.441600186870108 (0.900932% change) - iteration 3: trace = 5.429243454286308 (0.227337% change) - iteration 4: trace = 5.424006075312885 (0.0965126% change) - iteration 5: trace = 5.421602587929506 (0.0443219% change) - iteration 6: trace = 5.420564321752845 (0.0191524% change) - iteration 7: trace = 5.42009509241588 (0.00865684% change) - iteration 8: trace = 5.419931134615047 (0.00302504% change) - iteration 9: trace = 5.419867760047527 (0.00116929% change) - iteration 10: trace = 5.419830094183665 (0.000694962% change) - iteration 11: trace = 5.419811010221234 (0.000352114% change) - iteration 12: trace = 5.419802376473069 (0.0001593% change) - iteration 13: trace = 5.419799087055124 (6.06926e-05% change) - iteration 14: trace = 5.419798216707932 (1.60587e-05% change) - iteration 15: trace = 5.419797883612204 (6.14591e-06% change) - iteration 16: trace = 5.41979777309653 (2.03911e-06% change) - iteration 17: trace = 5.419797746450927 (4.91635e-07% change) - iteration 18: trace = 5.419797737168387 (1.71271e-07% change) - iteration 19: trace = 5.419797734833672 (4.30775e-08% change) - iteration 20: trace = 5.419797733819436 (1.87135e-08% change) - iteration 21: trace = 5.41979773333751 (8.89196e-09% change) - iteration 22: trace = 5.419797733149502 (3.46891e-09% change) - iteration 23: trace = 5.419797733079118 (1.29864e-09% change) - iteration 24: trace = 5.41979773305119 (5.15294e-10% change) - iteration 25: trace = 5.419797733039028 (2.24413e-10% change) - iteration 26: trace = 5.419797733028061 (2.02339e-10% change) - iteration 27: trace = 5.419797733011588 (3.03942e-10% change) - iteration 28: trace = 5.419797732993507 (3.3362e-10% change) - iteration 29: trace = 5.419797732978102 (2.84228e-10% change) - iteration 30: trace = 5.419797732969458 (1.59485e-10% change) - iteration 31: trace = 5.419797732963665 (1.06897e-10% change) - iteration 32: trace = 5.419797732960266 (6.27156e-11% change) -Finished solving for bands 1 to 8 after 32 iterations. + linmin: converged after 4 iterations. + iteration 3: trace = 5.429126918813395 (0.229484% change) + linmin: converged after 3 iterations. + iteration 4: trace = 5.423934983907605 (0.0956769% change) + linmin: converged after 3 iterations. + iteration 5: trace = 5.421565458546377 (0.043696% change) + linmin: converged after 4 iterations. + iteration 6: trace = 5.420537499876169 (0.0189623% change) + linmin: converged after 4 iterations. + iteration 7: trace = 5.420079758485103 (0.00844493% change) + linmin: converged after 4 iterations. + iteration 8: trace = 5.419922056553828 (0.00290963% change) + linmin: converged after 4 iterations. + iteration 9: trace = 5.41986180365376 (0.0011117% change) + linmin: converged after 4 iterations. + iteration 10: trace = 5.419827885464855 (0.000625815% change) + linmin: converged after 5 iterations. + iteration 11: trace = 5.419810483685045 (0.000321077% change) + linmin: converged after 5 iterations. + iteration 12: trace = 5.41980218283994 (0.000153158% change) + linmin: converged after 4 iterations. + iteration 13: trace = 5.419798983957699 (5.90221e-05% change) + linmin: converged after 4 iterations. + iteration 14: trace = 5.419798149579847 (1.5395e-05% change) + linmin: converged after 3 iterations. + iteration 15: trace = 5.419797850874148 (5.51138e-06% change) + linmin: converged after 2 iterations. + iteration 16: trace = 5.419797772234243 (1.45097e-06% change) + linmin: converged after 2 iterations. + iteration 17: trace = 5.4197977484627 (4.38606e-07% change) + linmin: converged after 24 iterations. + iteration 18: trace = 5.419797738495506 (1.83903e-07% change) + linmin: converged after 3 iterations. + iteration 19: trace = 5.419797735536185 (5.46021e-08% change) + linmin: converged after 3 iterations. + iteration 20: trace = 5.419797734024172 (2.7898e-08% change) + linmin: converged after 2 iterations. + iteration 21: trace = 5.41979773344876 (1.06168e-08% change) + linmin: converged after 3 iterations. + iteration 22: trace = 5.419797733207694 (4.44789e-09% change) + linmin: converged after 2 iterations. + iteration 23: trace = 5.419797733101934 (1.95136e-09% change) + linmin: converged after 8 iterations. + iteration 24: trace = 5.419797733057997 (8.10682e-10% change) + linmin: converged after 6 iterations. + iteration 25: trace = 5.419797733037144 (3.8475e-10% change) + linmin: converged after 3 iterations. + iteration 26: trace = 5.419797733021104 (2.95945e-10% change) + linmin: converged after 3 iterations. + iteration 27: trace = 5.419797733006833 (2.63317e-10% change) + linmin: converged after 9 iterations. + iteration 28: trace = 5.419797732997613 (1.7012e-10% change) + linmin: converged after 5 iterations. + iteration 29: trace = 5.419797732989884 (1.42605e-10% change) + linmin: converged after 3 iterations. + iteration 30: trace = 5.41979773298165 (1.5193e-10% change) + linmin: converged after 3 iterations. + iteration 31: trace = 5.419797732971225 (1.92342e-10% change) + linmin: converged after 7 iterations. + iteration 32: trace = 5.419797732962824 (1.55011e-10% change) + linmin: converged after 3 iterations. + iteration 33: trace = 5.41979773295833 (8.29052e-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: 0.3123784065246582 +elapsed time for k point: 0.309128999710083 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 5.256818751834663 (0.493447% change) + iteration 1: trace = 5.256818585242216 (0.493447% change) linmin: converged after 5 iterations. - iteration 2: trace = 5.245516437711053 (0.215234% change) + iteration 2: trace = 5.245516345639081 (0.215233% change) linmin: converged after 4 iterations. - iteration 3: trace = 5.242859688012988 (0.0506608% change) + iteration 3: trace = 5.242859628968006 (0.0506602% change) linmin: converged after 4 iterations. - iteration 4: trace = 5.24180780326145 (0.0200652% change) - linmin: converged after 3 iterations. - iteration 5: trace = 5.241214222933279 (0.0113246% change) + iteration 4: trace = 5.241807773786862 (0.0200646% change) linmin: converged after 3 iterations. - iteration 6: trace = 5.241004239859858 (0.00400646% change) + iteration 5: trace = 5.241214212278139 (0.0113242% change) + linmin: converged after 4 iterations. + iteration 6: trace = 5.241004235893853 (0.00400633% change) linmin: converged after 4 iterations. - iteration 7: trace = 5.240908451022605 (0.0018277% change) + iteration 7: trace = 5.240908449571047 (0.00182765% change) linmin: converged after 4 iterations. - iteration 8: trace = 5.240871742031034 (0.000700434% change) + iteration 8: trace = 5.240871741595182 (0.000700415% change) linmin: converged after 4 iterations. - iteration 9: trace = 5.240860284029159 (0.000218628% change) - linmin: converged after 6 iterations. - iteration 10: trace = 5.240855477929951 (9.17044e-05% change) + iteration 9: trace = 5.240860283765565 (0.000218625% change) linmin: converged after 5 iterations. - iteration 11: trace = 5.240854364702902 (2.12413e-05% change) + iteration 10: trace = 5.240855477875888 (9.17004e-05% change) + linmin: converged after 3 iterations. + iteration 11: trace = 5.24085436469723 (2.12404e-05% change) linmin: converged after 2 iterations. - iteration 12: trace = 5.240854047780979 (6.04714e-06% change) + iteration 12: trace = 5.240854047784748 (6.04696e-06% change) linmin: converged after 2 iterations. - iteration 13: trace = 5.240853968314914 (1.51628e-06% change) + iteration 13: trace = 5.240853968320218 (1.51625e-06% change) linmin: converged after 4 iterations. - iteration 14: trace = 5.24085395435811 (2.66308e-07% change) + iteration 14: trace = 5.240853954363313 (2.6631e-07% change) + linmin: converged after 3 iterations. + iteration 15: trace = 5.240853950741766 (6.91022e-08% change) + linmin: converged after 9 iterations. + iteration 16: trace = 5.240853949553741 (2.26685e-08% change) + linmin: converged after 3 iterations. + iteration 17: trace = 5.240853949178232 (7.16504e-09% change) + linmin: converged after 5 iterations. + iteration 18: trace = 5.24085394903061 (2.81674e-09% change) + linmin: converged after 3 iterations. + iteration 19: trace = 5.240853948975943 (1.0431e-09% change) + linmin: converged after 10 iterations. + iteration 20: trace = 5.240853948939043 (7.04072e-10% change) linmin: converged after 3 iterations. - iteration 15: trace = 5.240853950736964 (6.90946e-08% change) + iteration 21: trace = 5.240853948882973 (1.06988e-09% change) linmin: converged after 4 iterations. - iteration 16: trace = 5.240853949549327 (2.26611e-08% change) + iteration 22: trace = 5.240853948833452 (9.44892e-10% change) + linmin: converged after 8 iterations. + iteration 23: trace = 5.2408539488024 (5.92508e-10% change) linmin: converged after 4 iterations. - iteration 17: trace = 5.240853949174152 (7.15865e-09% change) - linmin: converged after 3 iterations. - iteration 18: trace = 5.240853949026864 (2.81039e-09% change) + iteration 24: trace = 5.240853948778135 (4.62998e-10% change) linmin: converged after 4 iterations. - iteration 19: trace = 5.240853948972544 (1.03647e-09% change) - linmin: converged after 7 iterations. - iteration 20: trace = 5.240853948936172 (6.94005e-10% change) - linmin: converged after 5 iterations. - iteration 21: trace = 5.24085394888115 (1.04986e-09% change) - linmin: converged after 13 iterations. - iteration 22: trace = 5.240853948832474 (9.28775e-10% change) + iteration 25: trace = 5.240853948757218 (3.99107e-10% change) linmin: converged after 5 iterations. - iteration 23: trace = 5.240853948801868 (5.84001e-10% change) - linmin: converged after 2 iterations. - iteration 24: trace = 5.240853948777897 (4.57388e-10% change) - linmin: converged after 3 iterations. - iteration 25: trace = 5.240853948757146 (3.95938e-10% change) - linmin: converged after 6 iterations. - iteration 26: trace = 5.240853948742292 (2.83425e-10% change) + iteration 26: trace = 5.240853948742308 (2.84493e-10% change) linmin: converged after 3 iterations. - iteration 27: trace = 5.240853948735855 (1.22833e-10% change) + iteration 27: trace = 5.240853948735861 (1.2302e-10% change) linmin: converged after 3 iterations. - iteration 28: trace = 5.24085394873392 (3.6911e-11% change) + iteration 28: trace = 5.240853948733921 (3.70127e-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: 0.21744799613952637 +elapsed time for k point: 0.2650928497314453 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 5.102472984910057 (0.252117% change) + iteration 1: trace = 5.102472984912457 (0.252117% change) linmin: converged after 3 iterations. - iteration 2: trace = 5.098134061051796 (0.0850719% change) - linmin: converged after 4 iterations. - iteration 3: trace = 5.097086787865767 (0.0205444% change) - linmin: converged after 4 iterations. - iteration 4: trace = 5.09676881483338 (0.00623852% change) - linmin: converged after 4 iterations. - iteration 5: trace = 5.096616721986431 (0.00298415% change) - linmin: converged after 4 iterations. - iteration 6: trace = 5.096573167031509 (0.000854589% change) + iteration 2: trace = 5.098134061052733 (0.0850719% change) linmin: converged after 4 iterations. - iteration 7: trace = 5.096556387466512 (0.000329233% change) - linmin: converged after 5 iterations. - iteration 8: trace = 5.096548105120999 (0.000162509% change) + iteration 3: trace = 5.097086787866149 (0.0205444% change) linmin: converged after 4 iterations. - iteration 9: trace = 5.09654553197822 (5.0488e-05% change) + iteration 4: trace = 5.096768814833575 (0.00623852% change) linmin: converged after 5 iterations. - iteration 10: trace = 5.096544550143711 (1.92647e-05% change) + iteration 5: trace = 5.096616721986498 (0.00298415% change) + linmin: converged after 7 iterations. + iteration 6: trace = 5.096573167031527 (0.000854589% change) linmin: converged after 3 iterations. - iteration 11: trace = 5.096544340283744 (4.11769e-06% change) + iteration 7: trace = 5.096556387466518 (0.000329233% change) linmin: converged after 4 iterations. - iteration 12: trace = 5.096544290838759 (9.70167e-07% change) - linmin: converged after 2 iterations. - iteration 13: trace = 5.096544277659987 (2.58583e-07% change) + iteration 8: trace = 5.096548105120988 (0.000162509% change) linmin: converged after 4 iterations. - iteration 14: trace = 5.096544274637576 (5.93031e-08% change) + iteration 9: trace = 5.096545531978215 (5.0488e-05% change) linmin: converged after 4 iterations. - iteration 15: trace = 5.096544273956448 (1.33645e-08% change) + iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. - iteration 16: trace = 5.096544273766998 (3.71723e-09% change) - linmin: converged after 2 iterations. - iteration 17: trace = 5.096544273707491 (1.1676e-09% change) + iteration 11: trace = 5.096544340283731 (4.11769e-06% change) + linmin: converged after 4 iterations. + iteration 12: trace = 5.096544290838743 (9.70167e-07% change) linmin: converged after 2 iterations. - iteration 18: trace = 5.096544273672413 (6.88265e-10% change) - linmin: converged after 3 iterations. - iteration 19: trace = 5.096544273621841 (9.9228e-10% change) + iteration 13: trace = 5.096544277659969 (2.58583e-07% change) + linmin: converged after 21 iterations. + iteration 14: trace = 5.096544274637566 (5.9303e-08% change) linmin: converged after 4 iterations. - iteration 20: trace = 5.09654427354728 (1.46299e-09% change) + iteration 15: trace = 5.096544273956442 (1.33644e-08% change) linmin: converged after 4 iterations. - iteration 21: trace = 5.096544273463905 (1.6359e-09% change) + iteration 16: trace = 5.096544273766987 (3.71733e-09% change) + linmin: converged after 4 iterations. + iteration 17: trace = 5.096544273707479 (1.16761e-09% change) + linmin: converged after 6 iterations. + iteration 18: trace = 5.096544273672399 (6.883e-10% change) linmin: converged after 3 iterations. - iteration 22: trace = 5.096544273426185 (7.40128e-10% change) - linmin: converged after 10 iterations. - iteration 23: trace = 5.096544273414485 (2.29549e-10% change) + iteration 19: trace = 5.096544273621832 (9.92175e-10% change) + linmin: converged after 7 iterations. + iteration 20: trace = 5.096544273547281 (1.46279e-09% change) + linmin: converged after 9 iterations. + iteration 21: trace = 5.096544273463903 (1.63597e-09% change) linmin: converged after 3 iterations. - iteration 24: trace = 5.096544273410625 (7.57381e-11% change) + iteration 22: trace = 5.096544273426184 (7.40093e-10% change) + linmin: converged after 2 iterations. + iteration 23: trace = 5.09654427341449 (2.29445e-10% change) + linmin: converged after 8 iterations. + iteration 24: trace = 5.096544273410621 (7.59123e-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: 0.1711418628692627 +elapsed time for k point: 0.22685551643371582 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 5.010057945910336 (0.187174% change) + iteration 1: trace = 5.010057945910609 (0.187174% change) linmin: converged after 3 iterations. - iteration 2: trace = 5.007389306962021 (0.0532798% change) + iteration 2: trace = 5.00738930696214 (0.0532798% change) linmin: converged after 4 iterations. - iteration 3: trace = 5.006708599252275 (0.013595% change) + iteration 3: trace = 5.006708599252331 (0.013595% change) linmin: converged after 4 iterations. - iteration 4: trace = 5.006529313190487 (0.00358098% change) + iteration 4: trace = 5.006529313190524 (0.00358098% change) linmin: converged after 5 iterations. - iteration 5: trace = 5.006460294301298 (0.00137859% change) + iteration 5: trace = 5.006460294301308 (0.00137859% change) linmin: converged after 3 iterations. - iteration 6: trace = 5.006443503180209 (0.00033539% change) - linmin: converged after 5 iterations. - iteration 7: trace = 5.006439503863521 (7.98834e-05% change) + iteration 6: trace = 5.00644350318022 (0.00033539% change) + linmin: converged after 3 iterations. + iteration 7: trace = 5.006439503863528 (7.98834e-05% change) linmin: converged after 4 iterations. - iteration 8: trace = 5.006437606345086 (3.79016e-05% change) + iteration 8: trace = 5.00643760634509 (3.79016e-05% change) linmin: converged after 4 iterations. - iteration 9: trace = 5.006436969310695 (1.27243e-05% change) + iteration 9: trace = 5.006436969310697 (1.27243e-05% change) linmin: converged after 4 iterations. - iteration 10: trace = 5.006436638672483 (6.60426e-06% change) - linmin: converged after 31 iterations. - iteration 11: trace = 5.006436539138809 (1.98811e-06% change) - linmin: converged after 14 iterations. - iteration 12: trace = 5.006436508297354 (6.16036e-07% change) - linmin: converged after 2 iterations. - iteration 13: trace = 5.006436499318627 (1.79344e-07% change) + iteration 10: trace = 5.006436638672485 (6.60426e-06% change) linmin: converged after 4 iterations. - iteration 14: trace = 5.006436497214724 (4.2024e-08% change) - linmin: converged after 5 iterations. - iteration 15: trace = 5.006436496812788 (8.02837e-09% change) - linmin: converged after 2 iterations. - iteration 16: trace = 5.006436496713437 (1.98446e-09% change) - linmin: converged after 8 iterations. - iteration 17: trace = 5.006436496673621 (7.95299e-10% change) - linmin: converged after 11 iterations. - iteration 18: trace = 5.006436496632914 (8.13093e-10% change) - large trace change predicted (2.20202e-09%) + iteration 11: trace = 5.006436539138803 (1.98811e-06% change) linmin: converged after 4 iterations. - iteration 19: trace = 5.006436496522668 (2.20209e-09% change) + iteration 12: trace = 5.006436508297348 (6.16036e-07% change) linmin: converged after 2 iterations. - iteration 20: trace = 5.006436496410068 (2.2491e-09% change) + iteration 13: trace = 5.00643649931863 (1.79343e-07% change) linmin: converged after 4 iterations. - iteration 21: trace = 5.006436496357244 (1.05513e-09% change) - linmin: converged after 2 iterations. - iteration 22: trace = 5.00643649634444 (2.5575e-10% change) + iteration 14: trace = 5.006436497214728 (4.20239e-08% change) + linmin: converged after 4 iterations. + iteration 15: trace = 5.006436496812785 (8.02853e-09% change) linmin: converged after 7 iterations. - iteration 23: trace = 5.006436496341388 (6.09572e-11% change) + iteration 16: trace = 5.00643649671343 (1.98453e-09% change) + linmin: converged after 11 iterations. + iteration 17: trace = 5.006436496673627 (7.95033e-10% change) + linmin: converged after 3 iterations. + iteration 18: trace = 5.006436496632916 (8.13182e-10% change) + large trace change predicted (2.20203e-09%) + linmin: converged after 2 iterations. + iteration 19: trace = 5.00643649652267 (2.20209e-09% change) + linmin: converged after 2 iterations. + iteration 20: trace = 5.00643649641007 (2.2491e-09% change) + linmin: converged after 4 iterations. + iteration 21: trace = 5.006436496357247 (1.05511e-09% change) + linmin: converged after 3 iterations. + iteration 22: trace = 5.006436496344438 (2.55839e-10% change) + linmin: converged after 24 iterations. + iteration 23: trace = 5.00643649634139 (6.08862e-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: 0.18395352363586426 +elapsed time for k point: 0.2174379825592041 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 4.978993750424436 (0.165173% change) - linmin: converged after 4 iterations. - iteration 2: trace = 4.97679035013752 (0.0442637% change) + iteration 1: trace = 4.978993750422823 (0.165173% change) linmin: converged after 4 iterations. - iteration 3: trace = 4.976199668872272 (0.0118694% change) + iteration 2: trace = 4.976790350142004 (0.0442637% change) linmin: converged after 4 iterations. - iteration 4: trace = 4.976051201931991 (0.00298359% change) + iteration 3: trace = 4.976199668874768 (0.0118694% change) linmin: converged after 4 iterations. - iteration 5: trace = 4.975999205362578 (0.00104494% change) + iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 4 iterations. - iteration 6: trace = 4.975987153191832 (0.000242206% change) + iteration 5: trace = 4.975999205362134 (0.00104494% change) + linmin: converged after 3 iterations. + iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. - iteration 7: trace = 4.9759851151259 (4.0958e-05% change) + iteration 7: trace = 4.975985115125742 (4.0958e-05% change) linmin: converged after 4 iterations. - iteration 8: trace = 4.975984462449361 (1.31165e-05% change) + iteration 8: trace = 4.97598446244929 (1.31165e-05% change) + linmin: converged after 2 iterations. + iteration 9: trace = 4.975984347964269 (2.30075e-06% change) linmin: converged after 2 iterations. - iteration 9: trace = 4.975984347964314 (2.30075e-06% change) + iteration 10: trace = 4.975984301211391 (9.3957e-07% change) linmin: converged after 2 iterations. - iteration 10: trace = 4.975984301211411 (9.39571e-07% change) + iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 2 iterations. - iteration 11: trace = 4.975984281705356 (3.92004e-07% change) + iteration 12: trace = 4.975984271802616 (1.9901e-07% change) linmin: converged after 2 iterations. - iteration 12: trace = 4.97598427180262 (1.99011e-07% change) + iteration 13: trace = 4.975984267495484 (8.65584e-08% change) linmin: converged after 2 iterations. - iteration 13: trace = 4.975984267495486 (8.65584e-08% change) + iteration 14: trace = 4.975984266162573 (2.67869e-08% change) linmin: converged after 2 iterations. - iteration 14: trace = 4.975984266162567 (2.6787e-08% change) - linmin: converged after 4 iterations. - iteration 15: trace = 4.975984265893698 (5.40334e-09% change) - linmin: converged after 4 iterations. - iteration 16: trace = 4.975984265819602 (1.48906e-09% change) + iteration 15: trace = 4.975984265893701 (5.40339e-09% change) linmin: converged after 2 iterations. - iteration 17: trace = 4.975984265774342 (9.09565e-10% change) + iteration 16: trace = 4.975984265819598 (1.48922e-09% change) linmin: converged after 3 iterations. - iteration 18: trace = 4.975984265706852 (1.35633e-09% change) - large trace change predicted (3.48832e-09%) - linmin: converged after 2 iterations. - iteration 19: trace = 4.97598426553327 (3.4884e-09% change) + iteration 17: trace = 4.975984265774336 (9.096e-10% change) linmin: converged after 2 iterations. - iteration 20: trace = 4.975984265426864 (2.13838e-09% change) + iteration 18: trace = 4.975984265706848 (1.35628e-09% change) + large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. - iteration 21: trace = 4.975984265393329 (6.73936e-10% change) - linmin: converged after 3 iterations. - iteration 22: trace = 4.975984265384496 (1.77511e-10% change) + iteration 19: trace = 4.975984265533272 (3.48827e-09% change) linmin: converged after 4 iterations. - iteration 23: trace = 4.975984265381784 (5.45118e-11% change) + iteration 20: trace = 4.975984265426865 (2.13842e-09% change) + linmin: converged after 2 iterations. + iteration 21: trace = 4.97598426539333 (6.73936e-10% change) + linmin: converged after 2 iterations. + iteration 22: trace = 4.975984265384498 (1.77493e-10% change) + linmin: converged after 2 iterations. + iteration 23: trace = 4.975984265381786 (5.44939e-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: 0.15707111358642578 -Outputting fields to /tmp/meepGWbq13/test_poynting-0-flux.v.k11.b01.te.h5... -Outputting fields to /tmp/meepGWbq13/test_poynting-0-flux.v.k11.b02.te.h5... -Outputting fields to /tmp/meepGWbq13/test_poynting-0-flux.v.k11.b03.te.h5... -Outputting fields to /tmp/meepGWbq13/test_poynting-0-flux.v.k11.b04.te.h5... -Outputting fields to /tmp/meepGWbq13/test_poynting-0-flux.v.k11.b05.te.h5... -Outputting fields to /tmp/meepGWbq13/test_poynting-0-flux.v.k11.b06.te.h5... -Outputting fields to /tmp/meepGWbq13/test_poynting-0-flux.v.k11.b07.te.h5... -Outputting fields to /tmp/meepGWbq13/test_poynting-0-flux.v.k11.b08.te.h5... +elapsed time for k point: 0.21667909622192383 +Outputting fields to /tmp/meepGSue4y/test_poynting-0-flux.v.k11.b01.te.h5... +Outputting fields to /tmp/meepGSue4y/test_poynting-0-flux.v.k11.b02.te.h5... +Outputting fields to /tmp/meepGSue4y/test_poynting-0-flux.v.k11.b03.te.h5... +Outputting fields to /tmp/meepGSue4y/test_poynting-0-flux.v.k11.b04.te.h5... +Outputting fields to /tmp/meepGSue4y/test_poynting-0-flux.v.k11.b05.te.h5... +Outputting fields to /tmp/meepGSue4y/test_poynting-0-flux.v.k11.b06.te.h5... +Outputting fields to /tmp/meepGSue4y/test_poynting-0-flux.v.k11.b07.te.h5... +Outputting fields to /tmp/meepGSue4y/test_poynting-0-flux.v.k11.b08.te.h5... solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 5.042733647627903 (0.320838% change) + iteration 1: trace = 5.042733647627902 (0.320838% change) linmin: converged after 4 iterations. - iteration 2: trace = 5.038219694841117 (0.0895541% change) + iteration 2: trace = 5.038219694841115 (0.0895541% change) linmin: converged after 4 iterations. - iteration 3: trace = 5.036942796213689 (0.0253475% change) + iteration 3: trace = 5.036942796213691 (0.0253475% change) linmin: converged after 4 iterations. - iteration 4: trace = 5.036564344352592 (0.00751381% change) + iteration 4: trace = 5.036564344352591 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.036422962550623 (0.00280715% change) linmin: converged after 5 iterations. - iteration 6: trace = 5.03638828160231 (0.000688605% change) + iteration 6: trace = 5.036388281602311 (0.000688605% change) linmin: converged after 4 iterations. - iteration 7: trace = 5.036381725959929 (0.000130166% change) + iteration 7: trace = 5.036381725959927 (0.000130166% change) linmin: converged after 5 iterations. - iteration 8: trace = 5.036379322251282 (4.77269e-05% change) - linmin: converged after 3 iterations. - iteration 9: trace = 5.03637878032387 (1.07603e-05% change) - linmin: converged after 3 iterations. + iteration 8: trace = 5.036379322251285 (4.77269e-05% change) + linmin: converged after 5 iterations. + iteration 9: trace = 5.036378780323868 (1.07603e-05% change) + linmin: converged after 4 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 5.036378497300827 (1.27317e-06% change) linmin: converged after 2 iterations. - iteration 12: trace = 5.036378484106174 (2.61987e-07% change) - linmin: converged after 4 iterations. - iteration 13: trace = 5.036378480911194 (6.3438e-08% change) - linmin: converged after 4 iterations. - iteration 14: trace = 5.03637848012837 (1.55434e-08% change) + iteration 12: trace = 5.036378484106176 (2.61987e-07% change) + linmin: converged after 8 iterations. + iteration 13: trace = 5.036378480911199 (6.3438e-08% change) linmin: converged after 4 iterations. - iteration 15: trace = 5.036378479954634 (3.44962e-09% change) + iteration 14: trace = 5.036378480128374 (1.55434e-08% change) linmin: converged after 2 iterations. - iteration 16: trace = 5.036378479909361 (8.98922e-10% change) - linmin: converged after 8 iterations. - iteration 17: trace = 5.036378479898016 (2.25255e-10% change) - linmin: converged after 15 iterations. - iteration 18: trace = 5.036378479895265 (5.4634e-11% change) + iteration 15: trace = 5.036378479954636 (3.44965e-09% change) + linmin: converged after 6 iterations. + iteration 16: trace = 5.036378479909359 (8.98993e-10% change) + linmin: converged after 9 iterations. + iteration 17: trace = 5.036378479898018 (2.25185e-10% change) + linmin: converged after 14 iterations. + iteration 18: trace = 5.036378479895263 (5.47046e-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: 0.08112120628356934 +elapsed time for k point: 0.1716775894165039 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 5.219132352165421 (0.375945% change) + iteration 1: trace = 5.219132352165317 (0.375945% change) linmin: converged after 5 iterations. - iteration 2: trace = 5.211330254329287 (0.149602% change) - linmin: converged after 4 iterations. - iteration 3: trace = 5.208582459524633 (0.0527412% change) - linmin: converged after 4 iterations. - iteration 4: trace = 5.207407191119655 (0.0225666% change) + iteration 2: trace = 5.211330254329347 (0.149602% change) linmin: converged after 4 iterations. - iteration 5: trace = 5.206822251347329 (0.0112335% change) + iteration 3: trace = 5.208582459524667 (0.0527412% change) linmin: converged after 4 iterations. - iteration 6: trace = 5.206658183445596 (0.00315107% change) + iteration 4: trace = 5.207407191119651 (0.0225666% change) linmin: converged after 4 iterations. - iteration 7: trace = 5.206604831487772 (0.00102469% change) + iteration 5: trace = 5.206822251347323 (0.0112335% change) linmin: converged after 4 iterations. - iteration 8: trace = 5.20657931918152 (0.00049% change) + iteration 6: trace = 5.206658183445594 (0.00315107% change) linmin: converged after 4 iterations. - iteration 9: trace = 5.206571394211565 (0.000152211% change) + iteration 7: trace = 5.206604831487765 (0.00102469% change) + linmin: converged after 5 iterations. + iteration 8: trace = 5.206579319181518 (0.00049% change) + linmin: converged after 3 iterations. + iteration 9: trace = 5.206571394211569 (0.000152211% change) linmin: converged after 5 iterations. - iteration 10: trace = 5.206567821670578 (6.8616e-05% change) + iteration 10: trace = 5.206567821670576 (6.8616e-05% change) linmin: converged after 3 iterations. - iteration 11: trace = 5.206566741448367 (2.07473e-05% change) + iteration 11: trace = 5.206566741448364 (2.07473e-05% change) linmin: converged after 2 iterations. - iteration 12: trace = 5.206566435491532 (5.87636e-06% change) + iteration 12: trace = 5.206566435491538 (5.87636e-06% change) + linmin: converged after 19 iterations. + iteration 13: trace = 5.206566333737289 (1.95434e-06% change) linmin: converged after 3 iterations. - iteration 13: trace = 5.206566333737292 (1.95434e-06% change) + iteration 14: trace = 5.206566313192089 (3.94602e-07% change) linmin: converged after 3 iterations. - iteration 14: trace = 5.206566313192128 (3.94601e-07% change) + iteration 15: trace = 5.20656630808213 (9.81445e-08% change) + linmin: converged after 23 iterations. + iteration 16: trace = 5.20656630650728 (3.02474e-08% change) linmin: converged after 3 iterations. - iteration 15: trace = 5.20656630808215 (9.81449e-08% change) - linmin: converged after 4 iterations. - iteration 16: trace = 5.206566306507295 (3.02475e-08% change) - linmin: converged after 2 iterations. - iteration 17: trace = 5.206566306040204 (8.97118e-09% change) - linmin: converged after 17 iterations. - iteration 18: trace = 5.206566305927629 (2.16217e-09% change) - linmin: converged after 13 iterations. - iteration 19: trace = 5.206566305900044 (5.29813e-10% change) - linmin: converged after 8 iterations. - iteration 20: trace = 5.206566305893737 (1.21135e-10% change) - linmin: converged after 4 iterations. - iteration 21: trace = 5.206566305891695 (3.92353e-11% change) + iteration 17: trace = 5.206566306040195 (8.97108e-09% change) + linmin: converged after 3 iterations. + iteration 18: trace = 5.206566305927625 (2.16209e-09% change) + linmin: converged after 6 iterations. + iteration 19: trace = 5.206566305900044 (5.29727e-10% change) + linmin: converged after 6 iterations. + iteration 20: trace = 5.206566305893732 (1.21237e-10% change) + linmin: converged after 9 iterations. + iteration 21: trace = 5.206566305891691 (3.92012e-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: 0.09454154968261719 +elapsed time for k point: 0.1992177963256836 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 5.468255756300488 (0.622033% change) + iteration 1: trace = 5.468255756276163 (0.622033% change) linmin: converged after 5 iterations. - iteration 2: trace = 5.443223812749778 (0.458819% change) + iteration 2: trace = 5.443223812723232 (0.458819% change) linmin: converged after 4 iterations. - iteration 3: trace = 5.431408622421546 (0.217298% change) + iteration 3: trace = 5.431408622402185 (0.217298% change) linmin: converged after 4 iterations. - iteration 4: trace = 5.424242356553118 (0.132028% change) + iteration 4: trace = 5.424242356546639 (0.132028% change) linmin: converged after 5 iterations. - iteration 5: trace = 5.4199376309711 (0.0793924% change) + iteration 5: trace = 5.419937630968926 (0.0793924% change) linmin: converged after 4 iterations. - iteration 6: trace = 5.418538990855419 (0.0258088% change) + iteration 6: trace = 5.418538990853956 (0.0258088% change) linmin: converged after 4 iterations. - iteration 7: trace = 5.417857723333919 (0.0125737% change) + iteration 7: trace = 5.417857723332919 (0.0125737% change) linmin: converged after 3 iterations. - iteration 8: trace = 5.417473338575127 (0.00709503% change) + iteration 8: trace = 5.417473338574712 (0.00709503% change) linmin: converged after 4 iterations. - iteration 9: trace = 5.417269129397949 (0.00376953% change) - linmin: converged after 5 iterations. - iteration 10: trace = 5.417145557811469 (0.00228109% change) + iteration 9: trace = 5.417269129397847 (0.00376953% change) linmin: converged after 3 iterations. - iteration 11: trace = 5.417106189895422 (0.000726731% change) + iteration 10: trace = 5.417145557811442 (0.00228109% change) linmin: converged after 3 iterations. - iteration 12: trace = 5.417094578169102 (0.000214353% change) + iteration 11: trace = 5.417106189895425 (0.000726731% change) linmin: converged after 3 iterations. - iteration 13: trace = 5.417090464906999 (7.59312e-05% change) + iteration 12: trace = 5.417094578169094 (0.000214353% change) linmin: converged after 3 iterations. - iteration 14: trace = 5.417089421745808 (1.92569e-05% change) + iteration 13: trace = 5.417090464906998 (7.59312e-05% change) + linmin: converged after 5 iterations. + iteration 14: trace = 5.417089421745804 (1.92569e-05% change) + linmin: converged after 5 iterations. + iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 3 iterations. - iteration 15: trace = 5.417088991729022 (7.93815e-06% change) - linmin: converged after 2 iterations. - iteration 16: trace = 5.417088858207652 (2.46482e-06% change) - linmin: converged after 4 iterations. + iteration 16: trace = 5.417088858207656 (2.46482e-06% change) + linmin: converged after 13 iterations. iteration 17: trace = 5.417088812132391 (8.50554e-07% change) + linmin: converged after 11 iterations. + iteration 18: trace = 5.417088788744923 (4.31735e-07% change) + linmin: converged after 3 iterations. + iteration 19: trace = 5.417088776389817 (2.28076e-07% change) linmin: converged after 4 iterations. - iteration 18: trace = 5.417088788744945 (4.31735e-07% change) - linmin: converged after 4 iterations. - iteration 19: trace = 5.417088776389878 (2.28076e-07% change) - linmin: converged after 4 iterations. - iteration 20: trace = 5.417088770680254 (1.054e-07% change) - linmin: converged after 4 iterations. - iteration 21: trace = 5.417088768321157 (4.35492e-08% change) - linmin: converged after 4 iterations. - iteration 22: trace = 5.417088767370202 (1.75547e-08% change) + iteration 20: trace = 5.417088770680238 (1.05399e-07% change) + linmin: converged after 3 iterations. + iteration 21: trace = 5.417088768321151 (4.3549e-08% change) + linmin: converged after 3 iterations. + iteration 22: trace = 5.417088767370207 (1.75545e-08% change) + linmin: converged after 7 iterations. + iteration 23: trace = 5.41708876692841 (8.15561e-09% change) + linmin: converged after 2 iterations. + iteration 24: trace = 5.417088766681356 (4.56064e-09% change) + linmin: converged after 3 iterations. + iteration 25: trace = 5.417088766554597 (2.33998e-09% change) linmin: converged after 6 iterations. - iteration 23: trace = 5.417088766928413 (8.15547e-09% change) - linmin: converged after 10 iterations. - iteration 24: trace = 5.417088766681353 (4.56076e-09% change) - linmin: converged after 10 iterations. - iteration 25: trace = 5.417088766554601 (2.33985e-09% change) + iteration 26: trace = 5.417088766462991 (1.69105e-09% change) + linmin: converged after 6 iterations. + iteration 27: trace = 5.417088766423705 (7.25238e-10% change) + linmin: converged after 6 iterations. + iteration 28: trace = 5.417088766412556 (2.05801e-10% change) linmin: converged after 5 iterations. - iteration 26: trace = 5.417088766462983 (1.69127e-09% change) - linmin: converged after 4 iterations. - iteration 27: trace = 5.417088766423698 (7.25222e-10% change) - linmin: converged after 4 iterations. - iteration 28: trace = 5.417088766412557 (2.05653e-10% change) - linmin: converged after 3 iterations. - iteration 29: trace = 5.417088766409226 (6.15009e-11% change) + iteration 29: trace = 5.417088766409222 (6.15501e-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: 0.12880325317382812 +elapsed time for k point: 0.2733454704284668 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 5.600203178999698 (1.22609% change) - linmin: converged after 7 iterations. - iteration 2: trace = 5.549498902385158 (0.909518% change) - linmin: converged after 7 iterations. - iteration 3: trace = 5.534363640713363 (0.273104% change) + iteration 1: trace = 5.600203178965626 (1.22609% change) + linmin: converged after 8 iterations. + iteration 2: trace = 5.549498902375312 (0.909518% change) + linmin: converged after 5 iterations. + iteration 3: trace = 5.534363640712937 (0.273104% change) linmin: converged after 4 iterations. - iteration 4: trace = 5.527272903158407 (0.128204% change) + iteration 4: trace = 5.527272903158819 (0.128204% change) linmin: converged after 4 iterations. - iteration 5: trace = 5.524129966091553 (0.0568785% change) + iteration 5: trace = 5.524129966091276 (0.0568785% change) linmin: converged after 3 iterations. - iteration 6: trace = 5.523244061860522 (0.0160383% change) + iteration 6: trace = 5.523244061860269 (0.0160383% change) linmin: converged after 3 iterations. - iteration 7: trace = 5.522921055216155 (0.0058483% change) + iteration 7: trace = 5.522921055215961 (0.0058483% change) linmin: converged after 3 iterations. - iteration 8: trace = 5.52275688237968 (0.00297262% change) - linmin: converged after 4 iterations. - iteration 9: trace = 5.522649699667835 (0.00194077% change) + iteration 8: trace = 5.522756882379525 (0.00297262% change) + linmin: converged after 5 iterations. + iteration 9: trace = 5.522649699667727 (0.00194077% change) linmin: converged after 3 iterations. - iteration 10: trace = 5.522540696465969 (0.00197377% change) - linmin: converged after 4 iterations. - iteration 11: trace = 5.522446530191286 (0.00170514% change) - linmin: converged after 10 iterations. - iteration 12: trace = 5.522358366920843 (0.00159647% change) - linmin: converged after 4 iterations. - iteration 13: trace = 5.522300787116064 (0.00104267% change) + iteration 10: trace = 5.522540696465873 (0.00197377% change) linmin: converged after 3 iterations. - iteration 14: trace = 5.522279640461684 (0.000382933% change) + iteration 11: trace = 5.5224465301912 (0.00170514% change) + linmin: converged after 5 iterations. + iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 3 iterations. - iteration 15: trace = 5.522271218167431 (0.000152515% change) + iteration 13: trace = 5.522300787115986 (0.00104267% change) linmin: converged after 3 iterations. - iteration 16: trace = 5.522268619549697 (4.70571e-05% change) - linmin: converged after 6 iterations. - iteration 17: trace = 5.522267958291822 (1.19744e-05% change) - linmin: converged after 2 iterations. - iteration 18: trace = 5.522267758808117 (3.61235e-06% change) + iteration 14: trace = 5.522279640461685 (0.000382933% change) linmin: converged after 3 iterations. - iteration 19: trace = 5.52226769156317 (1.21771e-06% change) + iteration 15: trace = 5.522271218167394 (0.000152515% change) + linmin: converged after 3 iterations. + iteration 16: trace = 5.522268619549664 (4.70571e-05% change) + linmin: converged after 4 iterations. + iteration 17: trace = 5.522267958291784 (1.19744e-05% change) linmin: converged after 2 iterations. - iteration 20: trace = 5.522267667644006 (4.3314e-07% change) + iteration 18: trace = 5.522267758808077 (3.61235e-06% change) linmin: converged after 4 iterations. - iteration 21: trace = 5.522267656937733 (1.93875e-07% change) - linmin: converged after 3 iterations. - iteration 22: trace = 5.522267653032029 (7.07265e-08% change) + iteration 19: trace = 5.522267691563138 (1.21771e-06% change) + linmin: converged after 2 iterations. + iteration 20: trace = 5.522267667643979 (4.3314e-07% change) + linmin: converged after 6 iterations. + iteration 21: trace = 5.522267656937712 (1.93874e-07% change) linmin: converged after 4 iterations. - iteration 23: trace = 5.52226765043501 (4.70281e-08% change) + iteration 22: trace = 5.522267653032011 (7.07264e-08% change) + linmin: converged after 3 iterations. + iteration 23: trace = 5.522267650434996 (4.70281e-08% change) linmin: converged after 7 iterations. - iteration 24: trace = 5.522267648929238 (2.72673e-08% change) + iteration 24: trace = 5.522267648929222 (2.72673e-08% change) linmin: converged after 6 iterations. - iteration 25: trace = 5.522267648122269 (1.4613e-08% change) - linmin: converged after 2 iterations. - iteration 26: trace = 5.522267647457967 (1.20295e-08% change) - linmin: converged after 19 iterations. - iteration 27: trace = 5.52226764682254 (1.15066e-08% change) + iteration 25: trace = 5.522267648122265 (1.46128e-08% change) linmin: converged after 4 iterations. - iteration 28: trace = 5.522267646290377 (9.63667e-09% change) - linmin: converged after 7 iterations. - iteration 29: trace = 5.522267645965358 (5.88561e-09% change) + iteration 26: trace = 5.522267647457959 (1.20296e-08% change) linmin: converged after 5 iterations. - iteration 30: trace = 5.522267645803388 (2.93303e-09% change) - linmin: converged after 16 iterations. - iteration 31: trace = 5.522267645716787 (1.56821e-09% change) - linmin: converged after 12 iterations. - iteration 32: trace = 5.522267645679258 (6.79596e-10% change) - linmin: converged after 7 iterations. - iteration 33: trace = 5.522267645667595 (2.11194e-10% change) - linmin: converged after 7 iterations. - iteration 34: trace = 5.522267645664743 (5.16444e-11% change) + iteration 27: trace = 5.522267646822536 (1.15065e-08% change) + linmin: converged after 4 iterations. + iteration 28: trace = 5.52226764629037 (9.63674e-09% change) + linmin: converged after 6 iterations. + iteration 29: trace = 5.522267645965355 (5.88553e-09% change) + linmin: converged after 21 iterations. + iteration 30: trace = 5.522267645803386 (2.93302e-09% change) + linmin: converged after 9 iterations. + iteration 31: trace = 5.522267645716786 (1.5682e-09% change) + linmin: converged after 5 iterations. + iteration 32: trace = 5.52226764567925 (6.79724e-10% change) + linmin: converged after 17 iterations. + iteration 33: trace = 5.522267645667593 (2.11081e-10% change) + linmin: converged after 4 iterations. + iteration 34: trace = 5.522267645664736 (5.17409e-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: 0.1514749526977539 +elapsed time for k point: 0.31822943687438965 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. - iteration 1: trace = 5.623415343690067 (0.88056% change) + iteration 1: trace = 5.623415343687239 (0.88056% change) linmin: converged after 5 iterations. - iteration 2: trace = 5.591482468800026 (0.569472% change) + iteration 2: trace = 5.591482468799134 (0.569472% change) linmin: converged after 5 iterations. - iteration 3: trace = 5.580951640942701 (0.188514% change) + iteration 3: trace = 5.580951640941547 (0.188514% change) linmin: converged after 5 iterations. - iteration 4: trace = 5.575083172745148 (0.105207% change) + iteration 4: trace = 5.575083172743771 (0.105207% change) linmin: converged after 5 iterations. - iteration 5: trace = 5.571618736264694 (0.0621607% change) + iteration 5: trace = 5.5716187362637 (0.0621607% change) linmin: converged after 4 iterations. - iteration 6: trace = 5.570324107768531 (0.0232388% change) + iteration 6: trace = 5.57032410776755 (0.0232388% change) linmin: converged after 4 iterations. - iteration 7: trace = 5.569686885898003 (0.0114402% change) + iteration 7: trace = 5.569686885897012 (0.0114402% change) linmin: converged after 4 iterations. - iteration 8: trace = 5.569460656419364 (0.00406188% change) + iteration 8: trace = 5.569460656418335 (0.00406188% change) linmin: converged after 4 iterations. - iteration 9: trace = 5.569345938949986 (0.00205978% change) + iteration 9: trace = 5.569345938948888 (0.00205978% change) linmin: converged after 4 iterations. - iteration 10: trace = 5.569289951400543 (0.00100529% change) + iteration 10: trace = 5.569289951399389 (0.00100529% change) linmin: converged after 5 iterations. - iteration 11: trace = 5.569256880778235 (0.000593805% change) + iteration 11: trace = 5.569256880777009 (0.000593805% change) linmin: converged after 3 iterations. - iteration 12: trace = 5.569207664430616 (0.000883719% change) + iteration 12: trace = 5.569207664429193 (0.000883719% change) linmin: converged after 3 iterations. - iteration 13: trace = 5.569133502532377 (0.00133165% change) + iteration 13: trace = 5.569133502530552 (0.00133165% change) large trace change predicted (0.00839774%) - linmin: converged after 11 iterations. - iteration 14: trace = 5.568684283171747 (0.00806656% change) + linmin: converged after 6 iterations. + iteration 14: trace = 5.568684283166318 (0.00806656% change) near maximum in trace - linmin: converged after 12 iterations. - iteration 15: trace = 5.566399673253864 (0.0410344% change) + linmin: converged after 8 iterations. + iteration 15: trace = 5.566399673126494 (0.0410344% change) linmin: converged after 4 iterations. - iteration 16: trace = 5.5655412017478 (0.0154236% change) + iteration 16: trace = 5.565541201649319 (0.0154236% change) linmin: converged after 5 iterations. - iteration 17: trace = 5.564709388964292 (0.0149469% change) - linmin: converged after 10 iterations. - iteration 18: trace = 5.563783784990765 (0.0166348% change) - linmin: converged after 7 iterations. - iteration 19: trace = 5.562668008634327 (0.0200563% change) - linmin: converged after 11 iterations. - iteration 20: trace = 5.561318637586869 (0.0242606% change) + iteration 17: trace = 5.564709388852071 (0.0149469% change) linmin: converged after 5 iterations. - iteration 21: trace = 5.55981363101467 (0.0270657% change) - linmin: converged after 4 iterations. - iteration 22: trace = 5.558314618471069 (0.0269652% change) + iteration 18: trace = 5.563783784857455 (0.0166348% change) + linmin: converged after 5 iterations. + iteration 19: trace = 5.562668008472645 (0.0200563% change) linmin: converged after 6 iterations. - iteration 23: trace = 5.556960244828524 (0.0243696% change) - linmin: converged after 7 iterations. - iteration 24: trace = 5.555789586935765 (0.0210687% change) + iteration 20: trace = 5.56131863739102 (0.0242606% change) linmin: converged after 6 iterations. - iteration 25: trace = 5.554798721033768 (0.0178364% change) + iteration 21: trace = 5.559813630789442 (0.0270657% change) linmin: converged after 4 iterations. - iteration 26: trace = 5.553994114222691 (0.0144859% change) + iteration 22: trace = 5.55831461823554 (0.0269652% change) + linmin: converged after 5 iterations. + iteration 23: trace = 5.556960244594976 (0.0243696% change) + linmin: converged after 7 iterations. + iteration 24: trace = 5.555789586707922 (0.0210687% change) + linmin: converged after 5 iterations. + iteration 25: trace = 5.554798720819041 (0.0178364% change) linmin: converged after 4 iterations. - iteration 27: trace = 5.55337603596236 (0.0111292% change) + iteration 26: trace = 5.553994114030578 (0.0144859% change) linmin: converged after 4 iterations. - iteration 28: trace = 5.552913676956631 (0.00832608% change) + iteration 27: trace = 5.553376035796295 (0.0111292% change) linmin: converged after 4 iterations. - iteration 29: trace = 5.552555838221635 (0.00644437% change) + iteration 28: trace = 5.552913676811989 (0.00832607% change) linmin: converged after 4 iterations. - iteration 30: trace = 5.552254970042148 (0.0054187% change) + iteration 29: trace = 5.552555838089953 (0.00644437% change) linmin: converged after 4 iterations. - iteration 31: trace = 5.551980060960804 (0.00495143% change) + iteration 30: trace = 5.552254969915809 (0.0054187% change) linmin: converged after 4 iterations. - iteration 32: trace = 5.551718956968592 (0.00470301% change) + iteration 31: trace = 5.551980060835623 (0.00495143% change) linmin: converged after 4 iterations. - iteration 33: trace = 5.55147359043605 (0.00441975% change) + iteration 32: trace = 5.551718956844521 (0.00470301% change) linmin: converged after 4 iterations. - iteration 34: trace = 5.551249526771674 (0.00403619% change) + iteration 33: trace = 5.551473590315489 (0.00441975% change) linmin: converged after 4 iterations. - iteration 35: trace = 5.551047677388084 (0.00363617% change) + iteration 34: trace = 5.551249526656298 (0.00403619% change) linmin: converged after 4 iterations. - iteration 36: trace = 5.550864325153476 (0.00330307% change) + iteration 35: trace = 5.551047677277628 (0.00363617% change) linmin: converged after 3 iterations. - iteration 37: trace = 5.550695189044732 (0.00304707% change) + iteration 36: trace = 5.550864325046835 (0.00330307% change) + linmin: converged after 4 iterations. + iteration 37: trace = 5.550695188941215 (0.00304707% change) + linmin: converged after 4 iterations. + iteration 38: trace = 5.550537717815017 (0.002837% change) linmin: converged after 3 iterations. - iteration 38: trace = 5.550537717915486 (0.002837% change) + iteration 39: trace = 5.550390744884922 (0.00264794% change) linmin: converged after 3 iterations. - iteration 39: trace = 5.550390744982325 (0.00264794% change) + iteration 40: trace = 5.550253430443 (0.00247399% change) linmin: converged after 3 iterations. - iteration 40: trace = 5.550253430537397 (0.00247399% change) + iteration 41: trace = 5.550124903419123 (0.00231572% change) linmin: converged after 3 iterations. - iteration 41: trace = 5.550124903510561 (0.00231572% change) - linmin: converged after 4 iterations. - iteration 42: trace = 5.550004421818866 (0.00217082% change) + iteration 42: trace = 5.550004421730387 (0.00217082% change) linmin: converged after 3 iterations. - iteration 43: trace = 5.549891461678344 (0.00203534% change) + iteration 43: trace = 5.549891461592817 (0.00203534% change) linmin: converged after 3 iterations. - iteration 44: trace = 5.549785756715968 (0.00190465% change) + iteration 44: trace = 5.549785756633441 (0.00190465% change) linmin: converged after 3 iterations. - iteration 45: trace = 5.54968747732301 (0.00177088% change) + iteration 45: trace = 5.54968747724379 (0.00177088% change) linmin: converged after 3 iterations. - iteration 46: trace = 5.549597231279949 (0.00162616% change) + iteration 46: trace = 5.549597231204658 (0.00162616% change) linmin: converged after 3 iterations. - iteration 47: trace = 5.549515437726288 (0.00147388% change) + iteration 47: trace = 5.549515437655207 (0.00147388% change) linmin: converged after 3 iterations. - iteration 48: trace = 5.549441430709843 (0.00133359% change) + iteration 48: trace = 5.54944143064245 (0.00133359% change) linmin: converged after 3 iterations. - iteration 49: trace = 5.549373300330399 (0.00122771% change) + iteration 49: trace = 5.549373300265469 (0.00122771% change) linmin: converged after 3 iterations. - iteration 50: trace = 5.549308831699326 (0.00116173% change) + iteration 50: trace = 5.549308831635857 (0.00116173% change) linmin: converged after 3 iterations. - iteration 51: trace = 5.549246789435418 (0.00111802% change) + iteration 51: trace = 5.549246789373296 (0.00111802% change) linmin: converged after 3 iterations. - iteration 52: trace = 5.549187392879121 (0.00107036% change) + iteration 52: trace = 5.549187392818978 (0.00107036% change) linmin: converged after 3 iterations. - iteration 53: trace = 5.549131424452297 (0.00100859% change) + iteration 53: trace = 5.549131424394591 (0.00100859% change) linmin: converged after 3 iterations. - iteration 54: trace = 5.549078954113728 (0.000945564% change) + iteration 54: trace = 5.549078954058159 (0.000945564% change) linmin: converged after 3 iterations. - iteration 55: trace = 5.549029214403336 (0.000896364% change) + iteration 55: trace = 5.549029214349327 (0.000896364% change) linmin: converged after 3 iterations. - iteration 56: trace = 5.548981603420686 (0.000858009% change) + iteration 56: trace = 5.548981603368159 (0.000858009% change) linmin: converged after 3 iterations. - iteration 57: trace = 5.548936441455754 (0.000813882% change) + iteration 57: trace = 5.548936441405298 (0.000813882% change) linmin: converged after 3 iterations. - iteration 58: trace = 5.548894438494428 (0.000756958% change) + iteration 58: trace = 5.548894438446435 (0.000756958% change) linmin: converged after 3 iterations. - iteration 59: trace = 5.548855472331615 (0.000702235% change) + iteration 59: trace = 5.548855472285536 (0.000702235% change) linmin: converged after 3 iterations. - iteration 60: trace = 5.548818214309681 (0.000671456% change) + iteration 60: trace = 5.548818214264243 (0.000671456% change) linmin: converged after 3 iterations. - iteration 61: trace = 5.548780940480913 (0.000671746% change) + iteration 61: trace = 5.54878094043504 (0.000671746% change) linmin: converged after 3 iterations. - iteration 62: trace = 5.548742719116376 (0.000688827% change) + iteration 62: trace = 5.548742719070007 (0.000688827% change) linmin: converged after 3 iterations. - iteration 63: trace = 5.548704070097847 (0.000696539% change) + iteration 63: trace = 5.548704070052051 (0.000696539% change) linmin: converged after 3 iterations. - iteration 64: trace = 5.548666460555576 (0.00067781% change) + iteration 64: trace = 5.548666460511527 (0.00067781% change) linmin: converged after 3 iterations. - iteration 65: trace = 5.548631157919074 (0.000636238% change) + iteration 65: trace = 5.548631157877429 (0.000636238% change) linmin: converged after 3 iterations. - iteration 66: trace = 5.548598782837808 (0.00058348% change) + iteration 66: trace = 5.548598782798809 (0.00058348% change) linmin: converged after 3 iterations. - iteration 67: trace = 5.548569723867351 (0.000523719% change) + iteration 67: trace = 5.548569723831407 (0.000523719% change) linmin: converged after 3 iterations. - iteration 68: trace = 5.548544403339138 (0.000456344% change) + iteration 68: trace = 5.548544403306618 (0.000456344% change) linmin: converged after 3 iterations. - iteration 69: trace = 5.548522919680837 (0.000387195% change) + iteration 69: trace = 5.548522919651652 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) - linmin: converged after 4 iterations. - iteration 70: trace = 5.548329976732116 (0.00347744% change) linmin: converged after 5 iterations. - iteration 71: trace = 5.548232222551661 (0.00176188% change) - linmin: converged after 4 iterations. - iteration 72: trace = 5.548180081095414 (0.000939789% change) + iteration 70: trace = 5.548329976716079 (0.00347744% change) linmin: converged after 5 iterations. - iteration 73: trace = 5.548158373793497 (0.000391252% change) - linmin: converged after 3 iterations. - iteration 74: trace = 5.548148375778339 (0.000180204% change) + iteration 71: trace = 5.548232222535244 (0.00176188% change) linmin: converged after 4 iterations. - iteration 75: trace = 5.548144673477667 (6.67304e-05% change) + iteration 72: trace = 5.548180081084018 (0.000939789% change) + linmin: converged after 4 iterations. + iteration 73: trace = 5.548158373788221 (0.000391252% change) + linmin: converged after 12 iterations. + iteration 74: trace = 5.548148375775397 (0.000180204% change) + linmin: converged after 3 iterations. + iteration 75: trace = 5.548144673475279 (6.67304e-05% change) linmin: converged after 3 iterations. - iteration 76: trace = 5.548141864895054 (5.0622e-05% change) + iteration 76: trace = 5.548141864893026 (5.0622e-05% change) linmin: converged after 4 iterations. - iteration 77: trace = 5.54813883704799 (5.45741e-05% change) + iteration 77: trace = 5.548138837046131 (5.45741e-05% change) linmin: converged after 3 iterations. - iteration 78: trace = 5.548134589431947 (7.65593e-05% change) + iteration 78: trace = 5.548134589430347 (7.65593e-05% change) linmin: converged after 4 iterations. - iteration 79: trace = 5.548128746383261 (0.000105316% change) + iteration 79: trace = 5.548128746381997 (0.000105316% change) linmin: converged after 3 iterations. - iteration 80: trace = 5.548123649320811 (9.187e-05% change) + iteration 80: trace = 5.548123649318897 (9.187e-05% change) linmin: converged after 3 iterations. - iteration 81: trace = 5.548120939114635 (4.88491e-05% change) - linmin: converged after 4 iterations. - iteration 82: trace = 5.54811900980289 (3.47742e-05% change) + iteration 81: trace = 5.548120939113486 (4.88491e-05% change) linmin: converged after 3 iterations. - iteration 83: trace = 5.54811826253434 (1.34689e-05% change) - linmin: converged after 7 iterations. - iteration 84: trace = 5.548117907882027 (6.3923e-06% change) + iteration 82: trace = 5.548119009802684 (3.47741e-05% change) + linmin: converged after 4 iterations. + iteration 83: trace = 5.54811826253431 (1.34689e-05% change) linmin: converged after 3 iterations. - iteration 85: trace = 5.548117802015843 (1.90815e-06% change) - linmin: converged after 2 iterations. - iteration 86: trace = 5.548117741686892 (1.08738e-06% change) + iteration 84: trace = 5.548117907882043 (6.3923e-06% change) linmin: converged after 3 iterations. - iteration 87: trace = 5.548117729428191 (2.20952e-07% change) - linmin: converged after 2 iterations. - iteration 88: trace = 5.548117726415591 (5.42995e-08% change) + iteration 85: trace = 5.548117802015853 (1.90815e-06% change) linmin: converged after 2 iterations. - iteration 89: trace = 5.54811772558889 (1.49006e-08% change) - linmin: converged after 6 iterations. - iteration 90: trace = 5.548117725372832 (3.89425e-09% change) - linmin: converged after 3 iterations. - iteration 91: trace = 5.548117725334811 (6.85298e-10% change) + iteration 86: trace = 5.548117741686889 (1.08738e-06% change) linmin: converged after 3 iterations. - iteration 92: trace = 5.548117725327051 (1.39868e-10% change) + iteration 87: trace = 5.548117729428171 (2.20953e-07% change) + linmin: converged after 15 iterations. + iteration 88: trace = 5.548117726415588 (5.42992e-08% change) linmin: converged after 3 iterations. - iteration 93: trace = 5.548117725324991 (3.71401e-11% change) + iteration 89: trace = 5.548117725588876 (1.49008e-08% change) + linmin: converged after 4 iterations. + iteration 90: trace = 5.548117725372838 (3.89389e-09% change) + linmin: converged after 7 iterations. + iteration 91: trace = 5.548117725334806 (6.8549e-10% change) + linmin: converged after 5 iterations. + iteration 92: trace = 5.548117725327035 (1.4006e-10% change) + linmin: converged after 2 iterations. + iteration 93: trace = 5.548117725324985 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -..elapsed time for k point: 0.3201427459716797 -Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> +..elapsed time for k point: 0.6514542102813721 +Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489877 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497226764 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160889 at Vector3<0.5, 0.5, 0.0> -Band 3 range: 0.5931535863117836 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069769 at Vector3<0.0, 0.0, 0.0> -Band 4 range: 0.6791690130757014 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677092 at Vector3<0.3, 0.3, 0.0> -Band 5 range: 0.8241814443502159 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855884 at Vector3<0.0, 0.0, 0.0> -Band 6 range: 0.8819770916660674 at Vector3<0.5, 0.5, 0.0> to 1.0291597050648278 at Vector3<0.5, 0.0, 0.0> -Band 7 range: 0.8819818134421854 at Vector3<0.5, 0.5, 0.0> to 1.0860729323744873 at Vector3<0.5, 0.0, 0.0> -Band 8 range: 1.0878689635115244 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556935 at Vector3<0.5, 0.5, 0.0> -Gap from band 2 (0.5931405141160889) to band 3 (0.5931535863117836), 0.002203870977689371% -Gap from band 4 (0.8096891551677092) to band 5 (0.8241814443502159), 1.7739824912428965% +Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> +Band 4 range: 0.6791690130757019 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677093 at Vector3<0.3, 0.3, 0.0> +Band 5 range: 0.8241814443502165 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855878 at Vector3<0.0, 0.0, 0.0> +Band 6 range: 0.8819770916660683 at Vector3<0.5, 0.5, 0.0> to 1.0291597050648278 at Vector3<0.5, 0.0, 0.0> +Band 7 range: 0.8819818134421857 at Vector3<0.5, 0.5, 0.0> to 1.0860729323744873 at Vector3<0.5, 0.0, 0.0> +Band 8 range: 1.0878689635115244 at Vector3<0.5, 0.0, 0.0> to 1.111917370755693 at Vector3<0.5, 0.5, 0.0> +Gap from band 2 (0.5931405141160889) to band 3 (0.5931535863117833), 0.002203870977633219% +Gap from band 4 (0.8096891551677093) to band 5 (0.8241814443502165), 1.77398249124295% Gap from band 7 (1.0860729323744873) to band 8 (1.0878689635115244), 0.16523267162162025% -total elapsed time for run: 4.2216081619262695 +total elapsed time for run: 5.787472724914551 done -/tmp/meepGWbq13/test_poynting-0: 4.23s +/tmp/meepGSue4y/test_poynting-0: 5.80s -/tmp/meepGWbq13/test_resolution-0 +/tmp/meepGSue4y/test_resolution-0 ======================== -/tmp/meepGWbq13/test_resolution-0: 0.00s +/tmp/meepGSue4y/test_resolution-0: 0.01s -/tmp/meepGWbq13/test_run_te-0 +/tmp/meepGSue4y/test_run_te-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -73174,7 +73247,7 @@ 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: 0.0028324127197265625 +elapsed time for initialization: 0.00501561164855957 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... @@ -73285,7 +73358,7 @@ iteration 52: trace = 5.548117725324874 (4.74016e-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: 0.18165302276611328 +elapsed time for k point: 0.36781978607177734 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -73536,7 +73609,7 @@ iteration 121: trace = 5.540497242579405 (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: 0.5292139053344727 +elapsed time for k point: 1.1166229248046875 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -73593,7 +73666,7 @@ iteration 26: trace = 5.499374946276068 (6.759e-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: 0.11676597595214844 +elapsed time for k point: 0.24411439895629883 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -73646,7 +73719,7 @@ iteration 24: trace = 5.48545908008786 (6.15763e-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: 0.10915899276733398 +elapsed time for k point: 0.22552895545959473 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -73707,7 +73780,7 @@ iteration 28: trace = 5.504362091981045 (5.80892e-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: 0.12729215621948242 +elapsed time for k point: 0.26186037063598633 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -73792,7 +73865,7 @@ iteration 40: trace = 5.538866868600049 (9.99485e-11% change) Finished solving for bands 1 to 8 after 40 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: 0.17731904983520508 +elapsed time for k point: 0.3709254264831543 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -73863,7 +73936,7 @@ iteration 33: trace = 5.41979773295833 (8.29052e-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: 0.14750337600708008 +elapsed time for k point: 0.30736517906188965 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -73924,7 +73997,7 @@ iteration 28: trace = 5.240853948733921 (3.70127e-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: 0.1252734661102295 +elapsed time for k point: 0.26135706901550293 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -73977,7 +74050,7 @@ iteration 24: trace = 5.096544273410621 (7.59123e-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: 0.10775876045227051 +elapsed time for k point: 0.2255706787109375 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -74029,7 +74102,7 @@ iteration 23: trace = 5.00643649634139 (6.08862e-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: 0.10448908805847168 +elapsed time for k point: 0.21626591682434082 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -74081,7 +74154,7 @@ iteration 23: trace = 4.975984265381786 (5.44939e-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: 0.10326290130615234 +elapsed time for k point: 0.21547389030456543 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -74122,7 +74195,7 @@ iteration 18: trace = 5.036378479895263 (5.47046e-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: 0.08251547813415527 +elapsed time for k point: 0.17066001892089844 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -74169,7 +74242,7 @@ iteration 21: trace = 5.206566305891691 (3.92012e-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: 0.09807753562927246 +elapsed time for k point: 0.19770359992980957 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -74232,7 +74305,7 @@ iteration 29: trace = 5.417088766409222 (6.15501e-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: 0.1306929588317871 +elapsed time for k point: 0.27106761932373047 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -74305,7 +74378,7 @@ iteration 34: trace = 5.522267645664736 (5.17409e-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: 0.15168190002441406 +elapsed time for k point: 0.31580257415771484 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -74500,7 +74573,7 @@ iteration 93: trace = 5.548117725324985 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -.elapsed time for k point: 0.3226606845855713 +.elapsed time for k point: 0.6518898010253906 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489877 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497226764 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160889 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> @@ -74512,11 +74585,11 @@ Gap from band 2 (0.5931405141160889) to band 3 (0.5931535863117833), 0.002203870977633219% Gap from band 4 (0.8096891551677093) to band 5 (0.8241814443502165), 1.77398249124295% Gap from band 7 (1.0860729323744873) to band 8 (1.0878689635115244), 0.16523267162162025% -total elapsed time for run: 2.6193687915802 +total elapsed time for run: 5.426344156265259 done -/tmp/meepGWbq13/test_run_te-0: 2.62s +/tmp/meepGSue4y/test_run_te-0: 5.43s -/tmp/meepGWbq13/test_run_te_no_geometry-0 +/tmp/meepGSue4y/test_run_te_no_geometry-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-07 tolerance @@ -74557,7 +74630,7 @@ 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: 0.0017228126525878906 +elapsed time for initialization: 0.0032618045806884766 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... @@ -74580,7 +74653,7 @@ 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: 0.030661582946777344 +elapsed time for k point: 0.06175112724304199 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... near maximum in trace @@ -74590,35 +74663,35 @@ iteration 2: trace = 9.880000004055374 (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: 0.01219940185546875 +elapsed time for k point: 0.02500629425048828 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 9.920000000339343 (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: 0.007596731185913086 +elapsed time for k point: 0.015621423721313477 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 10.12000000005403 (2.56724e-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: 0.007565975189208984 +elapsed time for k point: 0.015555858612060547 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 10.4800000000071 (3.43847e-10% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.4, 0.6, 1.07703, 1.07703, 1.16619, 1.16619, 1.4, 1.72047 -elapsed time for k point: 0.007575511932373047 +elapsed time for k point: 0.01569676399230957 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 10.99999999989866 (8.98061e-10% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.5, 0.5, 1.11803, 1.11803, 1.11803, 1.11803, 1.5, 1.80278 -elapsed time for k point: 0.0075643062591552734 +elapsed time for k point: 0.015598297119140625 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... near maximum in trace @@ -74628,7 +74701,7 @@ 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: 0.011934041976928711 +elapsed time for k point: 0.024898052215576172 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... near maximum in trace @@ -74638,7 +74711,7 @@ iteration 2: trace = 10.72763986654908 (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: 0.011954545974731445 +elapsed time for k point: 0.024785995483398438 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -74659,21 +74732,21 @@ 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: 0.0381314754486084 +elapsed time for k point: 0.07957744598388672 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: 0.00754094123840332 +elapsed time for k point: 0.01568746566772461 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: 0.007540464401245117 +elapsed time for k point: 0.015551567077636719 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... near maximum in trace @@ -74835,35 +74908,35 @@ iteration 77: trace = 10.96000007994671 (2.13035e-06% change) Finished solving for bands 1 to 8 after 77 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.565685, 0.72111, 0.72111, 0.848528, 1.45602, 1.45602, 1.52315, 1.52315 -elapsed time for k point: 0.3395075798034668 +elapsed time for k point: 0.7077724933624268 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: 0.007555246353149414 +elapsed time for k point: 0.015885353088378906 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 9.840000001756968 (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: 0.007536888122558594 +elapsed time for k point: 0.01577138900756836 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 9.760000000165835 (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: 0.007559537887573242 +elapsed time for k point: 0.015812158584594727 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 1 iterations. iteration 1: trace = 10.00000000001522 (1.76501e-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: 0.006121397018432617 +.elapsed time for k point: 0.012250900268554688 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: 0.5000000000350684 at Vector3<0.5, 0.0, 0.0> to 1.0000000000464655 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.7071067811884203 at Vector3<0.5, 0.5, 0.0> to 1.1180339887555262 at Vector3<0.5, 0.0, 0.0> @@ -74872,11 +74945,11 @@ 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: 1.2806248475164026 at Vector3<0.2, 0.0, 0.0> to 1.5811388300892417 at Vector3<0.5, 0.5, 0.0> Band 8 range: 1.414213562375283 at Vector3<0.0, 0.0, 0.0> to 1.8027756376524438 at Vector3<0.5, 0.0, 0.0> -total elapsed time for run: 0.5209863185882568 +total elapsed time for run: 1.0815198421478271 done -/tmp/meepGWbq13/test_run_te_no_geometry-0: 0.52s +/tmp/meepGSue4y/test_run_te_no_geometry-0: 1.08s -/tmp/meepGWbq13/test_run_te_with_mu_material-0 +/tmp/meepGSue4y/test_run_te_with_mu_material-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -74920,7 +74993,7 @@ 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: 0.0045855045318603516 +elapsed time for initialization: 0.008007526397705078 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... @@ -75338,7 +75411,7 @@ iteration 204: trace = 6.854300770958573 (9.18072e-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: 1.265763521194458 +elapsed time for k point: 2.730760335922241 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -75727,7 +75800,7 @@ iteration 162: trace = 6.791967496013989 (8.76413e-11% change) Finished solving for bands 1 to 8 after 162 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0813996, 0.654814, 0.784954, 0.787051, 0.973107, 1.147, 1.15475, 1.23489 -elapsed time for k point: 1.270784854888916 +elapsed time for k point: 2.9698123931884766 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -75979,7 +76052,7 @@ iteration 108: trace = 6.760812143847753 (4.43642e-11% change) Finished solving for bands 1 to 8 after 108 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: 0.9377338886260986 +elapsed time for k point: 1.971038818359375 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -76199,7 +76272,7 @@ iteration 98: trace = 6.801884535685708 (8.92111e-11% change) Finished solving for bands 1 to 8 after 98 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: 1.5546684265136719 +elapsed time for k point: 1.799619436264038 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -76767,7 +76840,7 @@ iteration 272: trace = 6.680068177074701 (6.7929e-11% change) Finished solving for bands 1 to 8 after 272 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: 4.997508764266968 +elapsed time for k point: 4.970224380493164 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -76928,7 +77001,7 @@ iteration 77: trace = 6.642769244577109 (8.4315e-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: 1.7717463970184326 +elapsed time for k point: 1.4132614135742188 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -77112,7 +77185,7 @@ iteration 87: trace = 6.663505677515148 (7.55754e-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: 1.7388100624084473 +elapsed time for k point: 1.5952808856964111 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -77324,7 +77397,7 @@ iteration 102: trace = 6.70884562169679 (9.42214e-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: 2.013908863067627 +elapsed time for k point: 1.8523707389831543 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -77578,7 +77651,7 @@ iteration 123: trace = 6.740400274230594 (7.87454e-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: 2.0671045780181885 +elapsed time for k point: 2.2390947341918945 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -78268,7 +78341,7 @@ iteration 331: trace = 6.638733455481888 (6.51946e-11% change) Finished solving for bands 1 to 8 after 331 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.407624, 0.596325, 0.643243, 0.739976, 1.03397, 1.05588, 1.19281, 1.24454 -elapsed time for k point: 4.295685768127441 +elapsed time for k point: 6.094760894775391 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -78413,7 +78486,7 @@ iteration 69: trace = 6.611072637361749 (7.41327e-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: 1.173147201538086 +elapsed time for k point: 1.271186351776123 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -78616,7 +78689,7 @@ iteration 97: trace = 6.660936714455418 (7.90048e-11% change) Finished solving for bands 1 to 8 after 97 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.39535, 0.591668, 0.641198, 0.766761, 1.02252, 1.04927, 1.20755, 1.24532 -elapsed time for k point: 0.8364264965057373 +elapsed time for k point: 1.7736835479736328 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -78886,7 +78959,7 @@ iteration 127: trace = 6.720498465556362 (4.4181e-11% change) Finished solving for bands 1 to 8 after 127 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.326025, 0.580731, 0.672069, 0.852808, 0.974388, 1.03211, 1.23516, 1.24808 -elapsed time for k point: 1.7321887016296387 +elapsed time for k point: 2.3119029998779297 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -79133,7 +79206,7 @@ iteration 109: trace = 6.712756811033316 (8.35021e-11% change) Finished solving for bands 1 to 8 after 109 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: 0.9595456123352051 +elapsed time for k point: 1.9791767597198486 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -79438,7 +79511,7 @@ iteration 126: trace = 6.74681761816284 (8.67534e-11% change) Finished solving for bands 1 to 8 after 126 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: 3.139801502227783 +elapsed time for k point: 2.294793128967285 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 3 iterations. @@ -79710,7 +79783,7 @@ iteration 132: trace = 6.854300770959932 (9.87657e-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: 1.2195217609405518 +elapsed time for k point: 1.760725736618042 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.41652912330374914 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.47328232348733495 at Vector3<0.5, 0.0, 0.0> to 0.6699867281290623 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.6301802646818522 at Vector3<0.5, 0.5, 0.0> to 0.8037365323031509 at Vector3<0.5, 0.0, 0.0> @@ -79721,14 +79794,14 @@ Band 8 range: 1.2059728636717657 at Vector3<0.0, 0.0, 0.0> to 1.3135062523646435 at Vector3<0.30000000000000004, 0.0, 0.0> Gap from band 1 (0.41652912330374914) to band 2 (0.47328232348733495), 12.756230634760696% Gap from band 4 (0.886344816771213) to band 5 (0.9047498485811121), 2.0551713056750813% -total elapsed time for run: 30.99683427810669 +total elapsed time for run: 39.03735423088074 done mu: 1-5, mean 1.50265, harm. mean 1.12084, 14.5508% > 1, 12.5663% "fill" -Outputting /tmp/meepGWbq13/test_run_te_with_mu_material-0-mu.h5... +Outputting /tmp/meepGSue4y/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/meepGWbq13/test_run_te_with_mu_material-0: 31.22s +./tmp/meepGSue4y/test_run_te_with_mu_material-0: 39.05s -/tmp/meepGWbq13/test_run_tm-0 +/tmp/meepGSue4y/test_run_tm-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -79771,7 +79844,7 @@ 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: 0.008385419845581055 +elapsed time for initialization: 0.004937410354614258 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... @@ -79907,7 +79980,7 @@ iteration 61: trace = 4.373720851032935 (3.72636e-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: 0.43766331672668457 +elapsed time for k point: 0.433976411819458 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -79958,7 +80031,7 @@ iteration 23: trace = 4.290857263081674 (9.18222e-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: 0.12073922157287598 +elapsed time for k point: 0.21757292747497559 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -79989,7 +80062,7 @@ iteration 13: trace = 4.208307958519126 (3.87705e-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: 0.059871673583984375 +elapsed time for k point: 0.12545490264892578 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -80020,7 +80093,7 @@ iteration 13: trace = 4.150444015828809 (1.03146e-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: 0.05981922149658203 +elapsed time for k point: 0.12516093254089355 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -80051,7 +80124,7 @@ iteration 13: trace = 4.119598598621692 (1.07152e-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: 0.05977630615234375 +elapsed time for k point: 0.12556910514831543 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -80082,7 +80155,7 @@ iteration 13: trace = 4.110777242725125 (6.68925e-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: 0.06038308143615723 +elapsed time for k point: 0.12573528289794922 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -80111,7 +80184,7 @@ iteration 12: trace = 4.0994899642748 (2.49804e-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: 0.05566096305847168 +elapsed time for k point: 0.11717963218688965 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -80138,7 +80211,7 @@ iteration 11: trace = 4.079452895803482 (8.21458e-11% change) Finished solving for bands 1 to 8 after 11 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.25442, 0.441321, 0.535034, 0.706018, 0.772267, 0.845818, 0.862861, 0.989395 -elapsed time for k point: 0.05123019218444824 +elapsed time for k point: 0.10763311386108398 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -80167,7 +80240,7 @@ 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: 0.05643939971923828 +elapsed time for k point: 0.11653590202331543 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -80200,7 +80273,7 @@ iteration 14: trace = 4.07552694934967 (2.61298e-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: 0.10284996032714844 +elapsed time for k point: 0.13464760780334473 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -80235,7 +80308,7 @@ iteration 15: trace = 4.092150433618252 (9.12672e-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: 0.11246395111083984 +elapsed time for k point: 0.14412975311279297 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -80272,7 +80345,7 @@ iteration 16: trace = 4.046652183676487 (2.11583e-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: 0.11891841888427734 +elapsed time for k point: 0.15287518501281738 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -80301,7 +80374,7 @@ iteration 12: trace = 4.044513236396849 (3.20398e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.236529, 0.473888, 0.515941, 0.679199, 0.819377, 0.829518, 0.897603, 0.933446 -elapsed time for k point: 0.09177017211914062 +elapsed time for k point: 0.11638236045837402 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -80330,7 +80403,7 @@ iteration 12: trace = 4.113415259755491 (2.54788e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.172884, 0.482973, 0.533242, 0.640233, 0.819202, 0.838111, 0.910409, 0.976551 -elapsed time for k point: 0.09270071983337402 +elapsed time for k point: 0.11618947982788086 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -80363,7 +80436,7 @@ iteration 14: trace = 4.240749642028247 (2.11115e-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: 0.10659074783325195 +elapsed time for k point: 0.13570833206176758 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. @@ -80495,7 +80568,7 @@ iteration 59: trace = 4.373720851594641 (8.85798e-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: 0.3710799217224121 +.elapsed time for k point: 0.42996811866760254 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.28094795352537405 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.41711424932466357 at Vector3<0.5, 0.0, 0.0> to 0.5460267793370319 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.4961974527654609 at Vector3<0.5, 0.5, 0.0> to 0.5576576362977237 at Vector3<0.5, 0.0, 0.0> @@ -80506,11 +80579,11 @@ Band 8 range: 0.8793510958294798 at Vector3<0.5, 0.5, 0.0> to 1.0825923841452598 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.28094795352537405) to band 2 (0.41711424932466357), 39.0126539564388% Gap from band 4 (0.7133951516423509) to band 5 (0.7413109657068664), 3.8380005049245294% -total elapsed time for run: 1.967846393585205 +total elapsed time for run: 2.730983018875122 done -/tmp/meepGWbq13/test_run_tm-0: 1.98s +/tmp/meepGSue4y/test_run_tm-0: 2.73s -/tmp/meepGWbq13/test_set_eigenvectors-0 +/tmp/meepGSue4y/test_set_eigenvectors-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -80553,7 +80626,7 @@ 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: 0.004181623458862305 +elapsed time for initialization: 0.005007028579711914 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... @@ -80664,7 +80737,7 @@ iteration 52: trace = 5.548117725324874 (4.74016e-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: 0.2922825813293457 +elapsed time for k point: 0.3728756904602051 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -80915,7 +80988,7 @@ iteration 121: trace = 5.540497242579405 (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: 0.9847855567932129 +elapsed time for k point: 1.1166369915008545 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -80972,7 +81045,7 @@ iteration 26: trace = 5.499374946276068 (6.759e-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: 0.19193816184997559 +elapsed time for k point: 0.24614334106445312 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -81025,7 +81098,7 @@ iteration 24: trace = 5.48545908008786 (6.15763e-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: 0.16707706451416016 +elapsed time for k point: 0.22724580764770508 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -81086,7 +81159,7 @@ iteration 28: trace = 5.504362091981045 (5.80892e-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: 0.15604567527770996 +elapsed time for k point: 0.26289868354797363 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -81171,7 +81244,7 @@ iteration 40: trace = 5.538866868600049 (9.99485e-11% change) Finished solving for bands 1 to 8 after 40 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: 0.20304346084594727 +elapsed time for k point: 0.37206244468688965 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -81242,7 +81315,7 @@ iteration 33: trace = 5.41979773295833 (8.29052e-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: 0.16164255142211914 +elapsed time for k point: 0.3097555637359619 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -81303,7 +81376,7 @@ iteration 28: trace = 5.240853948733921 (3.70127e-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: 0.1439657211303711 +elapsed time for k point: 0.26450490951538086 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -81356,7 +81429,7 @@ iteration 24: trace = 5.096544273410621 (7.59123e-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: 0.17723393440246582 +elapsed time for k point: 0.22669601440429688 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -81408,7 +81481,7 @@ iteration 23: trace = 5.00643649634139 (6.08862e-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: 0.16915631294250488 +elapsed time for k point: 0.21758151054382324 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -81460,7 +81533,7 @@ iteration 23: trace = 4.975984265381786 (5.44939e-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: 0.1650218963623047 +elapsed time for k point: 0.21677064895629883 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -81501,7 +81574,7 @@ iteration 18: trace = 5.036378479895263 (5.47046e-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: 0.13817214965820312 +elapsed time for k point: 0.17127299308776855 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -81515,308 +81588,383 @@ linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347323 (0.0112335% change) linmin: converged after 4 iterations. - switching to approximate line minimization (decrease time by 64.7626%) iteration 6: trace = 5.206658183445594 (0.00315107% change) - iteration 7: trace = 5.206604831892893 (0.00102468% change) - iteration 8: trace = 5.206579320875295 (0.000489975% change) - iteration 9: trace = 5.206571394715806 (0.000152234% change) - iteration 10: trace = 5.206567821605111 (6.8627e-05% change) - iteration 11: trace = 5.206566741302305 (2.07488e-05% change) - iteration 12: trace = 5.206566435405383 (5.87521e-06% change) - iteration 13: trace = 5.20656633369347 (1.95353e-06% change) - iteration 14: trace = 5.206566313167126 (3.9424e-07% change) - iteration 15: trace = 5.206566308068505 (9.79267e-08% change) - iteration 16: trace = 5.20656630650319 (3.00642e-08% change) - iteration 17: trace = 5.206566306039245 (8.91077e-09% change) - iteration 18: trace = 5.206566305927246 (2.15112e-09% change) - iteration 19: trace = 5.206566305899857 (5.26043e-10% change) - iteration 20: trace = 5.206566305893635 (1.19497e-10% change) - iteration 21: trace = 5.206566305891639 (3.83482e-11% change) + linmin: converged after 4 iterations. + iteration 7: trace = 5.206604831487765 (0.00102469% change) + linmin: converged after 5 iterations. + iteration 8: trace = 5.206579319181518 (0.00049% change) + linmin: converged after 3 iterations. + iteration 9: trace = 5.206571394211569 (0.000152211% change) + linmin: converged after 5 iterations. + iteration 10: trace = 5.206567821670576 (6.8616e-05% change) + linmin: converged after 3 iterations. + iteration 11: trace = 5.206566741448364 (2.07473e-05% change) + linmin: converged after 2 iterations. + iteration 12: trace = 5.206566435491538 (5.87636e-06% change) + linmin: converged after 19 iterations. + iteration 13: trace = 5.206566333737289 (1.95434e-06% change) + linmin: converged after 3 iterations. + iteration 14: trace = 5.206566313192089 (3.94602e-07% change) + linmin: converged after 3 iterations. + iteration 15: trace = 5.20656630808213 (9.81445e-08% change) + linmin: converged after 23 iterations. + iteration 16: trace = 5.20656630650728 (3.02474e-08% change) + linmin: converged after 3 iterations. + iteration 17: trace = 5.206566306040195 (8.97108e-09% change) + linmin: converged after 3 iterations. + iteration 18: trace = 5.206566305927625 (2.16209e-09% change) + linmin: converged after 6 iterations. + iteration 19: trace = 5.206566305900044 (5.29727e-10% change) + linmin: converged after 6 iterations. + iteration 20: trace = 5.206566305893732 (1.21237e-10% change) + linmin: converged after 9 iterations. + iteration 21: trace = 5.206566305891691 (3.92012e-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: 0.1439061164855957 +elapsed time for k point: 0.19928669929504395 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 5.468255755947951 (0.622033% change) + iteration 1: trace = 5.468255756276163 (0.622033% change) linmin: converged after 5 iterations. - iteration 2: trace = 5.443223813124164 (0.458818% change) + iteration 2: trace = 5.443223812723232 (0.458819% change) linmin: converged after 4 iterations. - iteration 3: trace = 5.431408623314891 (0.217298% change) + iteration 3: trace = 5.431408622402185 (0.217298% change) linmin: converged after 4 iterations. - iteration 4: trace = 5.424242356904956 (0.132028% change) + iteration 4: trace = 5.424242356546639 (0.132028% change) linmin: converged after 5 iterations. - iteration 5: trace = 5.41993763104492 (0.0793924% change) + iteration 5: trace = 5.419937630968926 (0.0793924% change) linmin: converged after 4 iterations. - iteration 6: trace = 5.418538990982403 (0.0258088% change) + iteration 6: trace = 5.418538990853956 (0.0258088% change) linmin: converged after 4 iterations. - iteration 7: trace = 5.417857723499908 (0.0125737% change) + iteration 7: trace = 5.417857723332919 (0.0125737% change) linmin: converged after 3 iterations. - iteration 8: trace = 5.417473338690614 (0.00709503% change) + iteration 8: trace = 5.417473338574712 (0.00709503% change) linmin: converged after 4 iterations. - iteration 9: trace = 5.417269129448616 (0.00376953% change) - linmin: converged after 6 iterations. - iteration 10: trace = 5.417145557831466 (0.00228109% change) + iteration 9: trace = 5.417269129397847 (0.00376953% change) + linmin: converged after 3 iterations. + iteration 10: trace = 5.417145557811442 (0.00228109% change) linmin: converged after 3 iterations. - iteration 11: trace = 5.41710618990472 (0.000726731% change) + iteration 11: trace = 5.417106189895425 (0.000726731% change) linmin: converged after 3 iterations. - iteration 12: trace = 5.417094578174193 (0.000214353% change) - linmin: converged after 4 iterations. - iteration 13: trace = 5.417090464907922 (7.59313e-05% change) + iteration 12: trace = 5.417094578169094 (0.000214353% change) linmin: converged after 3 iterations. - iteration 14: trace = 5.417089421746097 (1.92569e-05% change) + iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 5 iterations. - iteration 15: trace = 5.417088991729186 (7.93815e-06% change) - linmin: converged after 2 iterations. - iteration 16: trace = 5.417088858207723 (2.46482e-06% change) + iteration 14: trace = 5.417089421745804 (1.92569e-05% change) + linmin: converged after 5 iterations. + iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 3 iterations. - iteration 17: trace = 5.417088812132429 (8.50555e-07% change) - linmin: converged after 6 iterations. - iteration 18: trace = 5.417088788744958 (4.31735e-07% change) + iteration 16: trace = 5.417088858207656 (2.46482e-06% change) + linmin: converged after 13 iterations. + iteration 17: trace = 5.417088812132391 (8.50554e-07% change) linmin: converged after 11 iterations. - iteration 19: trace = 5.417088776389881 (2.28076e-07% change) - linmin: converged after 2 iterations. - iteration 20: trace = 5.417088770680254 (1.054e-07% change) - linmin: converged after 2 iterations. - iteration 21: trace = 5.41708876832116 (4.35491e-08% change) + iteration 18: trace = 5.417088788744923 (4.31735e-07% change) + linmin: converged after 3 iterations. + iteration 19: trace = 5.417088776389817 (2.28076e-07% change) linmin: converged after 4 iterations. - iteration 22: trace = 5.417088767370204 (1.75548e-08% change) - linmin: converged after 24 iterations. - iteration 23: trace = 5.417088766928418 (8.1554e-09% change) + iteration 20: trace = 5.417088770680238 (1.05399e-07% change) + linmin: converged after 3 iterations. + iteration 21: trace = 5.417088768321151 (4.3549e-08% change) + linmin: converged after 3 iterations. + iteration 22: trace = 5.417088767370207 (1.75545e-08% change) + linmin: converged after 7 iterations. + iteration 23: trace = 5.41708876692841 (8.15561e-09% change) linmin: converged after 2 iterations. - iteration 24: trace = 5.41708876668136 (4.56072e-09% change) - linmin: converged after 4 iterations. - iteration 25: trace = 5.4170887665546 (2.34e-09% change) - linmin: converged after 5 iterations. - iteration 26: trace = 5.417088766462988 (1.69117e-09% change) - linmin: converged after 5 iterations. - iteration 27: trace = 5.417088766423706 (7.25156e-10% change) + iteration 24: trace = 5.417088766681356 (4.56064e-09% change) linmin: converged after 3 iterations. - iteration 28: trace = 5.417088766412554 (2.05866e-10% change) - linmin: converged after 4 iterations. - iteration 29: trace = 5.417088766409228 (6.13861e-11% change) + iteration 25: trace = 5.417088766554597 (2.33998e-09% change) + linmin: converged after 6 iterations. + iteration 26: trace = 5.417088766462991 (1.69105e-09% change) + linmin: converged after 6 iterations. + iteration 27: trace = 5.417088766423705 (7.25238e-10% change) + linmin: converged after 6 iterations. + iteration 28: trace = 5.417088766412556 (2.05801e-10% change) + linmin: converged after 5 iterations. + iteration 29: trace = 5.417088766409222 (6.15501e-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: 0.13549184799194336 +elapsed time for k point: 0.27205753326416016 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 5.600203178993627 (1.22609% change) - linmin: converged after 7 iterations. - iteration 2: trace = 5.549498902379655 (0.909518% change) - linmin: converged after 9 iterations. - iteration 3: trace = 5.534363640708483 (0.273104% change) + iteration 1: trace = 5.600203178965626 (1.22609% change) + linmin: converged after 8 iterations. + iteration 2: trace = 5.549498902375312 (0.909518% change) + linmin: converged after 5 iterations. + iteration 3: trace = 5.534363640712937 (0.273104% change) linmin: converged after 4 iterations. - iteration 4: trace = 5.527272903155088 (0.128204% change) + iteration 4: trace = 5.527272903158819 (0.128204% change) linmin: converged after 4 iterations. - iteration 5: trace = 5.524129966091765 (0.0568785% change) + iteration 5: trace = 5.524129966091276 (0.0568785% change) linmin: converged after 3 iterations. - iteration 6: trace = 5.523244061860937 (0.0160383% change) + iteration 6: trace = 5.523244061860269 (0.0160383% change) linmin: converged after 3 iterations. - iteration 7: trace = 5.522921055217707 (0.0058483% change) - linmin: converged after 4 iterations. - iteration 8: trace = 5.522756882380853 (0.00297262% change) - linmin: converged after 5 iterations. - iteration 9: trace = 5.522649699668194 (0.00194077% change) + iteration 7: trace = 5.522921055215961 (0.0058483% change) linmin: converged after 3 iterations. - iteration 10: trace = 5.522540696465773 (0.00197377% change) + iteration 8: trace = 5.522756882379525 (0.00297262% change) + linmin: converged after 5 iterations. + iteration 9: trace = 5.522649699667727 (0.00194077% change) linmin: converged after 3 iterations. - iteration 11: trace = 5.522446530191358 (0.00170514% change) + iteration 10: trace = 5.522540696465873 (0.00197377% change) linmin: converged after 3 iterations. - iteration 12: trace = 5.522358366921714 (0.00159647% change) + iteration 11: trace = 5.5224465301912 (0.00170514% change) + linmin: converged after 5 iterations. + iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 3 iterations. - iteration 13: trace = 5.522300787116508 (0.00104267% change) + iteration 13: trace = 5.522300787115986 (0.00104267% change) linmin: converged after 3 iterations. - iteration 14: trace = 5.522279640461885 (0.000382933% change) + iteration 14: trace = 5.522279640461685 (0.000382933% change) linmin: converged after 3 iterations. - iteration 15: trace = 5.522271218167433 (0.000152515% change) + iteration 15: trace = 5.522271218167394 (0.000152515% change) linmin: converged after 3 iterations. - iteration 16: trace = 5.52226861954968 (4.70571e-05% change) - linmin: converged after 5 iterations. - iteration 17: trace = 5.522267958291804 (1.19744e-05% change) + iteration 16: trace = 5.522268619549664 (4.70571e-05% change) + linmin: converged after 4 iterations. + iteration 17: trace = 5.522267958291784 (1.19744e-05% change) linmin: converged after 2 iterations. - iteration 18: trace = 5.52226775880829 (3.61235e-06% change) - linmin: converged after 3 iterations. - iteration 19: trace = 5.522267691563215 (1.21771e-06% change) - linmin: converged after 13 iterations. - iteration 20: trace = 5.522267667644043 (4.3314e-07% change) - linmin: converged after 3 iterations. - iteration 21: trace = 5.522267656937739 (1.93875e-07% change) - linmin: converged after 5 iterations. - iteration 22: trace = 5.522267653032051 (7.07262e-08% change) + iteration 18: trace = 5.522267758808077 (3.61235e-06% change) linmin: converged after 4 iterations. - iteration 23: trace = 5.522267650435024 (4.70283e-08% change) - linmin: converged after 10 iterations. - iteration 24: trace = 5.522267648929245 (2.72674e-08% change) + iteration 19: trace = 5.522267691563138 (1.21771e-06% change) + linmin: converged after 2 iterations. + iteration 20: trace = 5.522267667643979 (4.3314e-07% change) + linmin: converged after 6 iterations. + iteration 21: trace = 5.522267656937712 (1.93874e-07% change) + linmin: converged after 4 iterations. + iteration 22: trace = 5.522267653032011 (7.07264e-08% change) + linmin: converged after 3 iterations. + iteration 23: trace = 5.522267650434996 (4.70281e-08% change) + linmin: converged after 7 iterations. + iteration 24: trace = 5.522267648929222 (2.72673e-08% change) + linmin: converged after 6 iterations. + iteration 25: trace = 5.522267648122265 (1.46128e-08% change) linmin: converged after 4 iterations. - iteration 25: trace = 5.522267648122276 (1.4613e-08% change) + iteration 26: trace = 5.522267647457959 (1.20296e-08% change) linmin: converged after 5 iterations. - iteration 26: trace = 5.522267647457971 (1.20296e-08% change) + iteration 27: trace = 5.522267646822536 (1.15065e-08% change) linmin: converged after 4 iterations. - iteration 27: trace = 5.522267646822538 (1.15067e-08% change) + iteration 28: trace = 5.52226764629037 (9.63674e-09% change) + linmin: converged after 6 iterations. + iteration 29: trace = 5.522267645965355 (5.88553e-09% change) + linmin: converged after 21 iterations. + iteration 30: trace = 5.522267645803386 (2.93302e-09% change) + linmin: converged after 9 iterations. + iteration 31: trace = 5.522267645716786 (1.5682e-09% change) + linmin: converged after 5 iterations. + iteration 32: trace = 5.52226764567925 (6.79724e-10% change) + linmin: converged after 17 iterations. + iteration 33: trace = 5.522267645667593 (2.11081e-10% change) linmin: converged after 4 iterations. - iteration 28: trace = 5.522267646290369 (9.63678e-09% change) - linmin: converged after 16 iterations. - iteration 29: trace = 5.52226764596535 (5.88561e-09% change) - linmin: converged after 15 iterations. - iteration 30: trace = 5.52226764580339 (2.93286e-09% change) - linmin: converged after 33 iterations. - iteration 31: trace = 5.522267645716786 (1.56826e-09% change) - linmin: converged after 14 iterations. - iteration 32: trace = 5.522267645679252 (6.79692e-10% change) - linmin: converged after 3 iterations. - iteration 33: trace = 5.522267645667593 (2.11129e-10% change) - linmin: converged after 2 iterations. - iteration 34: trace = 5.522267645664736 (5.17248e-11% change) + iteration 34: trace = 5.522267645664736 (5.17409e-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: 0.18973827362060547 +elapsed time for k point: 0.3203873634338379 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. - iteration 1: trace = 5.623415343683074 (0.88056% change) + iteration 1: trace = 5.623415343687239 (0.88056% change) linmin: converged after 5 iterations. - iteration 2: trace = 5.591482468798636 (0.569472% change) + iteration 2: trace = 5.591482468799134 (0.569472% change) linmin: converged after 5 iterations. - iteration 3: trace = 5.580951640942463 (0.188514% change) + iteration 3: trace = 5.580951640941547 (0.188514% change) linmin: converged after 5 iterations. - iteration 4: trace = 5.575083172745578 (0.105207% change) + iteration 4: trace = 5.575083172743771 (0.105207% change) linmin: converged after 5 iterations. - iteration 5: trace = 5.571618736265149 (0.0621607% change) + iteration 5: trace = 5.5716187362637 (0.0621607% change) linmin: converged after 4 iterations. - iteration 6: trace = 5.57032410776911 (0.0232388% change) + iteration 6: trace = 5.57032410776755 (0.0232388% change) linmin: converged after 4 iterations. - iteration 7: trace = 5.569686885898708 (0.0114402% change) + iteration 7: trace = 5.569686885897012 (0.0114402% change) linmin: converged after 4 iterations. - iteration 8: trace = 5.569460656420074 (0.00406188% change) + iteration 8: trace = 5.569460656418335 (0.00406188% change) linmin: converged after 4 iterations. - iteration 9: trace = 5.569345938950733 (0.00205978% change) + iteration 9: trace = 5.569345938948888 (0.00205978% change) linmin: converged after 4 iterations. - iteration 10: trace = 5.569289951401305 (0.00100529% change) + iteration 10: trace = 5.569289951399389 (0.00100529% change) linmin: converged after 5 iterations. - iteration 11: trace = 5.569256880779053 (0.000593805% change) + iteration 11: trace = 5.569256880777009 (0.000593805% change) linmin: converged after 3 iterations. - iteration 12: trace = 5.569207664431591 (0.000883719% change) - linmin: converged after 4 iterations. - iteration 13: trace = 5.569133502533618 (0.00133165% change) + iteration 12: trace = 5.569207664429193 (0.000883719% change) + linmin: converged after 3 iterations. + iteration 13: trace = 5.569133502530552 (0.00133165% change) large trace change predicted (0.00839774%) - linmin: converged after 5 iterations. - iteration 14: trace = 5.568684283175471 (0.00806656% change) + linmin: converged after 6 iterations. + iteration 14: trace = 5.568684283166318 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. - iteration 15: trace = 5.566399673129479 (0.0410344% change) + iteration 15: trace = 5.566399673126494 (0.0410344% change) linmin: converged after 4 iterations. - iteration 16: trace = 5.565541201654633 (0.0154236% change) + iteration 16: trace = 5.565541201649319 (0.0154236% change) linmin: converged after 5 iterations. - iteration 17: trace = 5.564709388859159 (0.0149469% change) + iteration 17: trace = 5.564709388852071 (0.0149469% change) + linmin: converged after 5 iterations. + iteration 18: trace = 5.563783784857455 (0.0166348% change) linmin: converged after 5 iterations. - iteration 18: trace = 5.563783784866732 (0.0166348% change) + iteration 19: trace = 5.562668008472645 (0.0200563% change) linmin: converged after 6 iterations. - iteration 19: trace = 5.562668008485603 (0.0200563% change) - linmin: converged after 5 iterations. - iteration 20: trace = 5.56131863740875 (0.0242606% change) - linmin: converged after 5 iterations. - iteration 21: trace = 5.559813630811184 (0.0270657% change) - linmin: converged after 5 iterations. - iteration 22: trace = 5.558314618260013 (0.0269652% change) - linmin: converged after 5 iterations. - iteration 23: trace = 5.55696024462036 (0.0243696% change) - linmin: converged after 14 iterations. - iteration 24: trace = 5.555789586732967 (0.0210687% change) - linmin: converged after 6 iterations. - iteration 25: trace = 5.554798721149087 (0.0178364% change) - linmin: converged after 4 iterations. - iteration 26: trace = 5.553994114330753 (0.0144859% change) - linmin: converged after 4 iterations. - iteration 27: trace = 5.55337603608313 (0.0111292% change) - linmin: converged after 4 iterations. - iteration 28: trace = 5.552913677087013 (0.00832607% change) - linmin: converged after 4 iterations. - iteration 29: trace = 5.552555838352651 (0.00644437% change) - linmin: converged after 4 iterations. - iteration 30: trace = 5.552254970167977 (0.0054187% change) - linmin: converged after 4 iterations. - iteration 31: trace = 5.551980061079462 (0.00495143% change) - linmin: converged after 4 iterations. - switching to approximate line minimization (decrease time by 87.7992%) - iteration 32: trace = 5.551718957080541 (0.00470301% change) - iteration 33: trace = 5.551473912517604 (0.00441395% change) - iteration 34: trace = 5.551235103731942 (0.00430181% change) - iteration 35: trace = 5.551021108207933 (0.00385499% change) - iteration 36: trace = 5.550827786248395 (0.0034827% change) - iteration 37: trace = 5.550650222746866 (0.00319892% change) - iteration 38: trace = 5.550485541160421 (0.00296693% change) - iteration 39: trace = 5.550332614531681 (0.00275523% change) - iteration 40: trace = 5.55019070630148 (0.00255678% change) - iteration 41: trace = 5.550058934921728 (0.00237421% change) - iteration 42: trace = 5.54993640728352 (0.00220771% change) - iteration 43: trace = 5.549822374711164 (0.00205469% change) - iteration 44: trace = 5.549716344967468 (0.00191053% change) - iteration 45: trace = 5.549618273702409 (0.00176716% change) - iteration 46: trace = 5.549528570042124 (0.00161641% change) - iteration 47: trace = 5.549447535175829 (0.00146022% change) - iteration 48: trace = 5.5493745006047 (0.00131608% change) - iteration 49: trace = 5.549307592634561 (0.00120569% change) - iteration 50: trace = 5.549244586923883 (0.00113539% change) - iteration 51: trace = 5.549184188008924 (0.00108842% change) - iteration 52: trace = 5.549126545810996 (0.00103876% change) - iteration 53: trace = 5.549072401069338 (0.000975739% change) - iteration 54: trace = 5.549021813212942 (0.000911649% change) - iteration 55: trace = 5.548974023016452 (0.00086124% change) - iteration 56: trace = 5.548928440880709 (0.000821455% change) - iteration 57: trace = 5.548885371670425 (0.000776175% change) - iteration 58: trace = 5.548845462229929 (0.000719236% change) - iteration 59: trace = 5.548808520152122 (0.000665764% change) - iteration 60: trace = 5.548773204761636 (0.000636452% change) - iteration 61: trace = 5.548737842378006 (0.000637303% change) - iteration 62: trace = 5.548701555218541 (0.000653974% change) - iteration 63: trace = 5.548664861754387 (0.0006613% change) - iteration 64: trace = 5.548629174884766 (0.000643163% change) - iteration 65: trace = 5.54859571219612 (0.000603082% change) - iteration 66: trace = 5.548565078066411 (0.000552108% change) - iteration 67: trace = 5.548537656552882 (0.00049421% change) - iteration 68: trace = 5.548513850495819 (0.000429052% change) - iteration 69: trace = 5.548493728947925 (0.000362648% change) - resetting CG direction... - iteration 70: trace = 5.548316096518218 (0.0032015% change) - iteration 71: trace = 5.548225507960437 (0.00163273% change) - iteration 72: trace = 5.548177282452719 (0.00086921% change) - iteration 73: trace = 5.548157393574145 (0.000358477% change) - iteration 74: trace = 5.5481481249494 (0.000167058% change) - iteration 75: trace = 5.548144608537468 (6.33799e-05% change) - iteration 76: trace = 5.548141829994365 (5.00806e-05% change) - iteration 77: trace = 5.548138698750444 (5.64377e-05% change) - iteration 78: trace = 5.548134247367894 (8.0232e-05% change) - iteration 79: trace = 5.548128281604486 (0.000107527% change) - iteration 80: trace = 5.548123221287346 (9.12077e-05% change) - iteration 81: trace = 5.548120668627375 (4.60094e-05% change) - iteration 82: trace = 5.548118909140991 (3.17132e-05% change) - iteration 83: trace = 5.548118222344616 (1.23789e-05% change) - iteration 84: trace = 5.54811789383064 (5.92118e-06% change) - iteration 85: trace = 5.548117795587868 (1.77074e-06% change) - iteration 86: trace = 5.548117739982728 (1.00223e-06% change) - iteration 87: trace = 5.548117728952825 (1.98804e-07% change) - iteration 88: trace = 5.548117726295013 (4.79047e-08% change) - iteration 89: trace = 5.548117725564096 (1.31741e-08% change) - iteration 90: trace = 5.548117725368426 (3.52678e-09% change) - iteration 91: trace = 5.548117725333677 (6.26322e-10% change) - iteration 92: trace = 5.548117725326671 (1.26276e-10% change) - iteration 93: trace = 5.548117725324827 (3.32339e-11% change) + iteration 20: trace = 5.56131863739102 (0.0242606% change) + linmin: converged after 6 iterations. + iteration 21: trace = 5.559813630789442 (0.0270657% change) + linmin: converged after 4 iterations. + iteration 22: trace = 5.55831461823554 (0.0269652% change) + linmin: converged after 5 iterations. + iteration 23: trace = 5.556960244594976 (0.0243696% change) + linmin: converged after 7 iterations. + iteration 24: trace = 5.555789586707922 (0.0210687% change) + linmin: converged after 5 iterations. + iteration 25: trace = 5.554798720819041 (0.0178364% change) + linmin: converged after 4 iterations. + iteration 26: trace = 5.553994114030578 (0.0144859% change) + linmin: converged after 4 iterations. + iteration 27: trace = 5.553376035796295 (0.0111292% change) + linmin: converged after 4 iterations. + iteration 28: trace = 5.552913676811989 (0.00832607% change) + linmin: converged after 4 iterations. + iteration 29: trace = 5.552555838089953 (0.00644437% change) + linmin: converged after 4 iterations. + iteration 30: trace = 5.552254969915809 (0.0054187% change) + linmin: converged after 4 iterations. + iteration 31: trace = 5.551980060835623 (0.00495143% change) + linmin: converged after 4 iterations. + iteration 32: trace = 5.551718956844521 (0.00470301% change) + linmin: converged after 4 iterations. + iteration 33: trace = 5.551473590315489 (0.00441975% change) + linmin: converged after 4 iterations. + iteration 34: trace = 5.551249526656298 (0.00403619% change) + linmin: converged after 4 iterations. + iteration 35: trace = 5.551047677277628 (0.00363617% change) + linmin: converged after 3 iterations. + iteration 36: trace = 5.550864325046835 (0.00330307% change) + linmin: converged after 4 iterations. + iteration 37: trace = 5.550695188941215 (0.00304707% change) + linmin: converged after 4 iterations. + iteration 38: trace = 5.550537717815017 (0.002837% change) + linmin: converged after 3 iterations. + iteration 39: trace = 5.550390744884922 (0.00264794% change) + linmin: converged after 3 iterations. + iteration 40: trace = 5.550253430443 (0.00247399% change) + linmin: converged after 3 iterations. + iteration 41: trace = 5.550124903419123 (0.00231572% change) + linmin: converged after 3 iterations. + iteration 42: trace = 5.550004421730387 (0.00217082% change) + linmin: converged after 3 iterations. + iteration 43: trace = 5.549891461592817 (0.00203534% change) + linmin: converged after 3 iterations. + iteration 44: trace = 5.549785756633441 (0.00190465% change) + linmin: converged after 3 iterations. + iteration 45: trace = 5.54968747724379 (0.00177088% change) + linmin: converged after 3 iterations. + iteration 46: trace = 5.549597231204658 (0.00162616% change) + linmin: converged after 3 iterations. + iteration 47: trace = 5.549515437655207 (0.00147388% change) + linmin: converged after 3 iterations. + iteration 48: trace = 5.54944143064245 (0.00133359% change) + linmin: converged after 3 iterations. + iteration 49: trace = 5.549373300265469 (0.00122771% change) + linmin: converged after 3 iterations. + iteration 50: trace = 5.549308831635857 (0.00116173% change) + linmin: converged after 3 iterations. + iteration 51: trace = 5.549246789373296 (0.00111802% change) + linmin: converged after 3 iterations. + iteration 52: trace = 5.549187392818978 (0.00107036% change) + linmin: converged after 3 iterations. + iteration 53: trace = 5.549131424394591 (0.00100859% change) + linmin: converged after 3 iterations. + iteration 54: trace = 5.549078954058159 (0.000945564% change) + linmin: converged after 3 iterations. + iteration 55: trace = 5.549029214349327 (0.000896364% change) + linmin: converged after 3 iterations. + iteration 56: trace = 5.548981603368159 (0.000858009% change) + linmin: converged after 3 iterations. + iteration 57: trace = 5.548936441405298 (0.000813882% change) + linmin: converged after 3 iterations. + iteration 58: trace = 5.548894438446435 (0.000756958% change) + linmin: converged after 3 iterations. + iteration 59: trace = 5.548855472285536 (0.000702235% change) + linmin: converged after 3 iterations. + iteration 60: trace = 5.548818214264243 (0.000671456% change) + linmin: converged after 3 iterations. + iteration 61: trace = 5.54878094043504 (0.000671746% change) + linmin: converged after 3 iterations. + iteration 62: trace = 5.548742719070007 (0.000688827% change) + linmin: converged after 3 iterations. + iteration 63: trace = 5.548704070052051 (0.000696539% change) + linmin: converged after 3 iterations. + iteration 64: trace = 5.548666460511527 (0.00067781% change) + linmin: converged after 3 iterations. + iteration 65: trace = 5.548631157877429 (0.000636238% change) + linmin: converged after 3 iterations. + iteration 66: trace = 5.548598782798809 (0.00058348% change) + linmin: converged after 3 iterations. + iteration 67: trace = 5.548569723831407 (0.000523719% change) + linmin: converged after 3 iterations. + iteration 68: trace = 5.548544403306618 (0.000456344% change) + linmin: converged after 3 iterations. + iteration 69: trace = 5.548522919651652 (0.000387195% change) + resetting CG direction... + large trace change predicted (0.00347725%) + linmin: converged after 5 iterations. + iteration 70: trace = 5.548329976716079 (0.00347744% change) + linmin: converged after 5 iterations. + iteration 71: trace = 5.548232222535244 (0.00176188% change) + linmin: converged after 4 iterations. + iteration 72: trace = 5.548180081084018 (0.000939789% change) + linmin: converged after 4 iterations. + iteration 73: trace = 5.548158373788221 (0.000391252% change) + linmin: converged after 12 iterations. + iteration 74: trace = 5.548148375775397 (0.000180204% change) + linmin: converged after 3 iterations. + iteration 75: trace = 5.548144673475279 (6.67304e-05% change) + linmin: converged after 3 iterations. + iteration 76: trace = 5.548141864893026 (5.0622e-05% change) + linmin: converged after 4 iterations. + iteration 77: trace = 5.548138837046131 (5.45741e-05% change) + linmin: converged after 3 iterations. + iteration 78: trace = 5.548134589430347 (7.65593e-05% change) + linmin: converged after 4 iterations. + iteration 79: trace = 5.548128746381997 (0.000105316% change) + linmin: converged after 3 iterations. + iteration 80: trace = 5.548123649318897 (9.187e-05% change) + linmin: converged after 3 iterations. + iteration 81: trace = 5.548120939113486 (4.88491e-05% change) + linmin: converged after 3 iterations. + iteration 82: trace = 5.548119009802684 (3.47741e-05% change) + linmin: converged after 4 iterations. + iteration 83: trace = 5.54811826253431 (1.34689e-05% change) + linmin: converged after 3 iterations. + iteration 84: trace = 5.548117907882043 (6.3923e-06% change) + linmin: converged after 3 iterations. + iteration 85: trace = 5.548117802015853 (1.90815e-06% change) + linmin: converged after 2 iterations. + iteration 86: trace = 5.548117741686889 (1.08738e-06% change) + linmin: converged after 3 iterations. + iteration 87: trace = 5.548117729428171 (2.20953e-07% change) + linmin: converged after 15 iterations. + iteration 88: trace = 5.548117726415588 (5.42992e-08% change) + linmin: converged after 3 iterations. + iteration 89: trace = 5.548117725588876 (1.49008e-08% change) + linmin: converged after 4 iterations. + iteration 90: trace = 5.548117725372838 (3.89389e-09% change) + linmin: converged after 7 iterations. + iteration 91: trace = 5.548117725334806 (6.8549e-10% change) + linmin: converged after 5 iterations. + iteration 92: trace = 5.548117725327035 (1.4006e-10% change) + linmin: converged after 2 iterations. + iteration 93: trace = 5.548117725324985 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.563732385635376 +elapsed time for k point: 0.6588492393493652 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489877 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497226764 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160889 at Vector3<0.5, 0.5, 0.0> -Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069692 at Vector3<0.0, 0.0, 0.0> -Band 4 range: 0.6791690130757019 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677095 at Vector3<0.3, 0.3, 0.0> -Band 5 range: 0.8241814443502165 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585563 at Vector3<0.0, 0.0, 0.0> +Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> +Band 4 range: 0.6791690130757019 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677093 at Vector3<0.3, 0.3, 0.0> +Band 5 range: 0.8241814443502165 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855878 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8819770916660683 at Vector3<0.5, 0.5, 0.0> to 1.0291597050648278 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421857 at Vector3<0.5, 0.5, 0.0> to 1.0860729323744873 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635115244 at Vector3<0.5, 0.0, 0.0> to 1.111917370755693 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160889) to band 3 (0.5931535863117833), 0.002203870977633219% -Gap from band 4 (0.8096891551677095) to band 5 (0.8241814443502165), 1.7739824912429363% +Gap from band 4 (0.8096891551677093) to band 5 (0.8241814443502165), 1.77398249124295% Gap from band 7 (1.0860729323744873) to band 8 (1.0878689635115244), 0.16523267162162025% -total elapsed time for run: 3.988962411880493 +total elapsed time for run: 5.461489677429199 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -81858,7 +82006,7 @@ 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: 0.0041162967681884766 +elapsed time for initialization: 0.004801273345947266 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... @@ -81969,7 +82117,7 @@ iteration 52: trace = 5.548117725324874 (4.74016e-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: 0.24275612831115723 +elapsed time for k point: 0.37346482276916504 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -82220,7 +82368,7 @@ iteration 121: trace = 5.540497242579405 (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: 0.6911497116088867 +elapsed time for k point: 1.1393964290618896 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -82277,7 +82425,7 @@ iteration 26: trace = 5.499374946276068 (6.759e-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: 0.12163758277893066 +elapsed time for k point: 0.2508883476257324 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -82330,7 +82478,7 @@ iteration 24: trace = 5.48545908008786 (6.15763e-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: 0.16355538368225098 +elapsed time for k point: 0.23080062866210938 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -82391,7 +82539,7 @@ iteration 28: trace = 5.504362091981045 (5.80892e-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: 0.18738412857055664 +elapsed time for k point: 0.2669491767883301 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -82476,7 +82624,7 @@ iteration 40: trace = 5.538866868600049 (9.99485e-11% change) Finished solving for bands 1 to 8 after 40 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: 0.23860621452331543 +elapsed time for k point: 0.3816800117492676 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -82547,7 +82695,7 @@ iteration 33: trace = 5.41979773295833 (8.29052e-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: 0.24838781356811523 +elapsed time for k point: 0.3154470920562744 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -82608,7 +82756,7 @@ iteration 28: trace = 5.240853948733921 (3.70127e-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: 0.21251487731933594 +elapsed time for k point: 0.2700369358062744 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -82661,7 +82809,7 @@ iteration 24: trace = 5.096544273410621 (7.59123e-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: 0.1823132038116455 +elapsed time for k point: 0.23262810707092285 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -82713,7 +82861,7 @@ iteration 23: trace = 5.00643649634139 (6.08862e-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: 0.18276190757751465 +elapsed time for k point: 0.22292566299438477 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -82765,7 +82913,7 @@ iteration 23: trace = 4.975984265381786 (5.44939e-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: 0.14475226402282715 +elapsed time for k point: 0.2209484577178955 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -82806,7 +82954,7 @@ iteration 18: trace = 5.036378479895263 (5.47046e-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: 0.09191417694091797 +elapsed time for k point: 0.17596912384033203 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -82853,7 +83001,7 @@ iteration 21: trace = 5.206566305891691 (3.92012e-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: 0.09622025489807129 +elapsed time for k point: 0.203779935836792 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -82916,7 +83064,7 @@ iteration 29: trace = 5.417088766409222 (6.15501e-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: 0.20280766487121582 +elapsed time for k point: 0.2808246612548828 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -82989,7 +83137,7 @@ iteration 34: trace = 5.522267645664736 (5.17409e-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: 0.1927802562713623 +elapsed time for k point: 0.3250854015350342 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -83184,7 +83332,7 @@ iteration 93: trace = 5.548117725324985 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.49000072479248047 +elapsed time for k point: 0.6687910556793213 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489877 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497226764 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160889 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> @@ -83196,7 +83344,7 @@ Gap from band 2 (0.5931405141160889) to band 3 (0.5931535863117833), 0.002203870977633219% Gap from band 4 (0.8096891551677093) to band 5 (0.8241814443502165), 1.77398249124295% Gap from band 7 (1.0860729323744873) to band 8 (1.0878689635115244), 0.16523267162162025% -total elapsed time for run: 3.6952829360961914 +total elapsed time for run: 5.565945386886597 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -83238,7 +83386,7 @@ 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: 0.004213094711303711 +elapsed time for initialization: 0.005052089691162109 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... @@ -83349,7 +83497,7 @@ iteration 52: trace = 5.548117725324874 (4.74016e-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: 0.30499267578125 +elapsed time for k point: 0.3792896270751953 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -83600,7 +83748,7 @@ iteration 121: trace = 5.540497242579405 (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: 0.886958122253418 +elapsed time for k point: 1.1492919921875 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -83657,7 +83805,7 @@ iteration 26: trace = 5.499374946276068 (6.759e-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: 0.19446921348571777 +elapsed time for k point: 0.25133609771728516 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -83710,7 +83858,7 @@ iteration 24: trace = 5.48545908008786 (6.15763e-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: 0.17667651176452637 +elapsed time for k point: 0.23158884048461914 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -83771,7 +83919,7 @@ iteration 28: trace = 5.504362091981045 (5.80892e-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: 0.20650029182434082 +elapsed time for k point: 0.2702634334564209 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -83856,7 +84004,7 @@ iteration 40: trace = 5.538866868600049 (9.99485e-11% change) Finished solving for bands 1 to 8 after 40 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: 0.27417635917663574 +elapsed time for k point: 0.38143205642700195 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -83927,7 +84075,7 @@ iteration 33: trace = 5.41979773295833 (8.29052e-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: 0.2270519733428955 +elapsed time for k point: 0.31653261184692383 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -83988,7 +84136,7 @@ iteration 28: trace = 5.240853948733921 (3.70127e-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: 0.12792754173278809 +elapsed time for k point: 0.27028989791870117 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -84041,7 +84189,7 @@ iteration 24: trace = 5.096544273410621 (7.59123e-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: 0.10894656181335449 +elapsed time for k point: 0.2340843677520752 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -84093,7 +84241,7 @@ iteration 23: trace = 5.00643649634139 (6.08862e-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: 0.11829209327697754 +elapsed time for k point: 0.2233588695526123 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -84145,7 +84293,7 @@ iteration 23: trace = 4.975984265381786 (5.44939e-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: 0.10881543159484863 +elapsed time for k point: 0.22173857688903809 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -84186,7 +84334,7 @@ iteration 18: trace = 5.036378479895263 (5.47046e-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: 0.08324193954467773 +elapsed time for k point: 0.1760103702545166 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -84228,359 +84376,359 @@ linmin: converged after 6 iterations. iteration 19: trace = 5.206566305900044 (5.29727e-10% change) linmin: converged after 6 iterations. - switching to approximate line minimization (decrease time by 67.0662%) iteration 20: trace = 5.206566305893732 (1.21237e-10% change) - iteration 21: trace = 5.20656630589169 (3.92182e-11% change) + linmin: converged after 9 iterations. + iteration 21: trace = 5.206566305891691 (3.92012e-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: 0.1902141571044922 +elapsed time for k point: 0.20504546165466309 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 5.468255756282155 (0.622033% change) + iteration 1: trace = 5.468255756276163 (0.622033% change) linmin: converged after 5 iterations. - iteration 2: trace = 5.443223812709872 (0.458819% change) + iteration 2: trace = 5.443223812723232 (0.458819% change) linmin: converged after 4 iterations. - iteration 3: trace = 5.431408622384961 (0.217298% change) + iteration 3: trace = 5.431408622402185 (0.217298% change) linmin: converged after 4 iterations. - iteration 4: trace = 5.424242356544449 (0.132028% change) + iteration 4: trace = 5.424242356546639 (0.132028% change) linmin: converged after 5 iterations. - iteration 5: trace = 5.419937630969872 (0.0793924% change) + iteration 5: trace = 5.419937630968926 (0.0793924% change) linmin: converged after 4 iterations. - iteration 6: trace = 5.418538990854456 (0.0258088% change) + iteration 6: trace = 5.418538990853956 (0.0258088% change) linmin: converged after 4 iterations. - iteration 7: trace = 5.417857723332703 (0.0125737% change) + iteration 7: trace = 5.417857723332919 (0.0125737% change) linmin: converged after 3 iterations. - iteration 8: trace = 5.417473338574626 (0.00709503% change) + iteration 8: trace = 5.417473338574712 (0.00709503% change) linmin: converged after 4 iterations. - iteration 9: trace = 5.417269129397838 (0.00376953% change) + iteration 9: trace = 5.417269129397847 (0.00376953% change) linmin: converged after 3 iterations. - iteration 10: trace = 5.417145557811432 (0.00228109% change) + iteration 10: trace = 5.417145557811442 (0.00228109% change) linmin: converged after 3 iterations. - iteration 11: trace = 5.417106189895432 (0.000726731% change) + iteration 11: trace = 5.417106189895425 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169094 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464906998 (7.59312e-05% change) + linmin: converged after 5 iterations. + iteration 14: trace = 5.417089421745804 (1.92569e-05% change) + linmin: converged after 5 iterations. + iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 3 iterations. - iteration 14: trace = 5.417089421745803 (1.92569e-05% change) - linmin: converged after 4 iterations. - iteration 15: trace = 5.41708899172902 (7.93815e-06% change) - linmin: converged after 2 iterations. - iteration 16: trace = 5.417088858207657 (2.46482e-06% change) - linmin: converged after 10 iterations. - iteration 17: trace = 5.417088812132396 (8.50554e-07% change) - linmin: converged after 7 iterations. - iteration 18: trace = 5.417088788744945 (4.31735e-07% change) - linmin: converged after 4 iterations. - iteration 19: trace = 5.417088776389814 (2.28077e-07% change) - linmin: converged after 7 iterations. - iteration 20: trace = 5.417088770680239 (1.05399e-07% change) - linmin: converged after 4 iterations. - iteration 21: trace = 5.417088768321148 (4.35491e-08% change) - linmin: converged after 6 iterations. - iteration 22: trace = 5.417088767370199 (1.75546e-08% change) - linmin: converged after 4 iterations. - iteration 23: trace = 5.417088766928406 (8.15555e-09% change) - linmin: converged after 14 iterations. - iteration 24: trace = 5.417088766681356 (4.56056e-09% change) - linmin: converged after 6 iterations. - iteration 25: trace = 5.417088766554595 (2.34003e-09% change) + iteration 16: trace = 5.417088858207656 (2.46482e-06% change) + linmin: converged after 13 iterations. + iteration 17: trace = 5.417088812132391 (8.50554e-07% change) + linmin: converged after 11 iterations. + iteration 18: trace = 5.417088788744923 (4.31735e-07% change) linmin: converged after 3 iterations. - iteration 26: trace = 5.417088766462992 (1.69099e-09% change) + iteration 19: trace = 5.417088776389817 (2.28076e-07% change) + linmin: converged after 4 iterations. + iteration 20: trace = 5.417088770680238 (1.05399e-07% change) linmin: converged after 3 iterations. - iteration 27: trace = 5.417088766423701 (7.2532e-10% change) + iteration 21: trace = 5.417088768321151 (4.3549e-08% change) linmin: converged after 3 iterations. - iteration 28: trace = 5.417088766412552 (2.05817e-10% change) + iteration 22: trace = 5.417088767370207 (1.75545e-08% change) + linmin: converged after 7 iterations. + iteration 23: trace = 5.41708876692841 (8.15561e-09% change) + linmin: converged after 2 iterations. + iteration 24: trace = 5.417088766681356 (4.56064e-09% change) linmin: converged after 3 iterations. - iteration 29: trace = 5.417088766409222 (6.14681e-11% change) + iteration 25: trace = 5.417088766554597 (2.33998e-09% change) + linmin: converged after 6 iterations. + iteration 26: trace = 5.417088766462991 (1.69105e-09% change) + linmin: converged after 6 iterations. + iteration 27: trace = 5.417088766423705 (7.25238e-10% change) + linmin: converged after 6 iterations. + iteration 28: trace = 5.417088766412556 (2.05801e-10% change) + linmin: converged after 5 iterations. + iteration 29: trace = 5.417088766409222 (6.15501e-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: 0.141373872756958 +elapsed time for k point: 0.27921009063720703 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 5.600203178971314 (1.22609% change) - linmin: converged after 7 iterations. - iteration 2: trace = 5.549498902377392 (0.909518% change) - linmin: converged after 6 iterations. - iteration 3: trace = 5.534363640713476 (0.273104% change) + iteration 1: trace = 5.600203178965626 (1.22609% change) + linmin: converged after 8 iterations. + iteration 2: trace = 5.549498902375312 (0.909518% change) + linmin: converged after 5 iterations. + iteration 3: trace = 5.534363640712937 (0.273104% change) linmin: converged after 4 iterations. - iteration 4: trace = 5.527272903159099 (0.128204% change) + iteration 4: trace = 5.527272903158819 (0.128204% change) linmin: converged after 4 iterations. - iteration 5: trace = 5.524129966091488 (0.0568785% change) - linmin: converged after 3 iterations. - iteration 6: trace = 5.523244061860503 (0.0160383% change) + iteration 5: trace = 5.524129966091276 (0.0568785% change) linmin: converged after 3 iterations. - iteration 7: trace = 5.522921055216129 (0.0058483% change) - linmin: converged after 4 iterations. - iteration 8: trace = 5.522756882379669 (0.00297262% change) - linmin: converged after 7 iterations. - iteration 9: trace = 5.522649699667826 (0.00194077% change) + iteration 6: trace = 5.523244061860269 (0.0160383% change) linmin: converged after 3 iterations. - iteration 10: trace = 5.522540696450856 (0.00197377% change) + iteration 7: trace = 5.522921055215961 (0.0058483% change) linmin: converged after 3 iterations. - iteration 11: trace = 5.522446530193195 (0.00170514% change) - linmin: converged after 6 iterations. - iteration 12: trace = 5.522358366906388 (0.00159647% change) + iteration 8: trace = 5.522756882379525 (0.00297262% change) linmin: converged after 5 iterations. - iteration 13: trace = 5.522300787120993 (0.00104267% change) + iteration 9: trace = 5.522649699667727 (0.00194077% change) linmin: converged after 3 iterations. - iteration 14: trace = 5.522279640459653 (0.000382933% change) - linmin: converged after 4 iterations. - iteration 15: trace = 5.522271218168901 (0.000152515% change) + iteration 10: trace = 5.522540696465873 (0.00197377% change) linmin: converged after 3 iterations. - iteration 16: trace = 5.522268619550965 (4.70571e-05% change) - linmin: converged after 4 iterations. - iteration 17: trace = 5.522267958293454 (1.19744e-05% change) - linmin: converged after 2 iterations. - iteration 18: trace = 5.522267758809653 (3.61235e-06% change) + iteration 11: trace = 5.5224465301912 (0.00170514% change) linmin: converged after 5 iterations. - iteration 19: trace = 5.522267691564599 (1.21771e-06% change) - linmin: converged after 2 iterations. - iteration 20: trace = 5.522267667645305 (4.33143e-07% change) + iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 3 iterations. - iteration 21: trace = 5.522267656938832 (1.93878e-07% change) + iteration 13: trace = 5.522300787115986 (0.00104267% change) linmin: converged after 3 iterations. - iteration 22: trace = 5.522267653032964 (7.07294e-08% change) + iteration 14: trace = 5.522279640461685 (0.000382933% change) + linmin: converged after 3 iterations. + iteration 15: trace = 5.522271218167394 (0.000152515% change) + linmin: converged after 3 iterations. + iteration 16: trace = 5.522268619549664 (4.70571e-05% change) + linmin: converged after 4 iterations. + iteration 17: trace = 5.522267958291784 (1.19744e-05% change) linmin: converged after 2 iterations. - iteration 23: trace = 5.522267650435717 (4.70323e-08% change) + iteration 18: trace = 5.522267758808077 (3.61235e-06% change) linmin: converged after 4 iterations. - iteration 24: trace = 5.522267648929776 (2.72703e-08% change) - linmin: converged after 8 iterations. - iteration 25: trace = 5.522267648122681 (1.46153e-08% change) - linmin: converged after 17 iterations. - iteration 26: trace = 5.522267647458245 (1.2032e-08% change) + iteration 19: trace = 5.522267691563138 (1.21771e-06% change) + linmin: converged after 2 iterations. + iteration 20: trace = 5.522267667643979 (4.3314e-07% change) linmin: converged after 6 iterations. - iteration 27: trace = 5.522267646822674 (1.15092e-08% change) + iteration 21: trace = 5.522267656937712 (1.93874e-07% change) + linmin: converged after 4 iterations. + iteration 22: trace = 5.522267653032011 (7.07264e-08% change) + linmin: converged after 3 iterations. + iteration 23: trace = 5.522267650434996 (4.70281e-08% change) + linmin: converged after 7 iterations. + iteration 24: trace = 5.522267648929222 (2.72673e-08% change) linmin: converged after 6 iterations. - iteration 28: trace = 5.522267646290421 (9.6383e-09% change) + iteration 25: trace = 5.522267648122265 (1.46128e-08% change) + linmin: converged after 4 iterations. + iteration 26: trace = 5.522267647457959 (1.20296e-08% change) + linmin: converged after 5 iterations. + iteration 27: trace = 5.522267646822536 (1.15065e-08% change) + linmin: converged after 4 iterations. + iteration 28: trace = 5.52226764629037 (9.63674e-09% change) linmin: converged after 6 iterations. - iteration 29: trace = 5.522267645965365 (5.88629e-09% change) + iteration 29: trace = 5.522267645965355 (5.88553e-09% change) + linmin: converged after 21 iterations. + iteration 30: trace = 5.522267645803386 (2.93302e-09% change) + linmin: converged after 9 iterations. + iteration 31: trace = 5.522267645716786 (1.5682e-09% change) linmin: converged after 5 iterations. - iteration 30: trace = 5.522267645803393 (2.93307e-09% change) - linmin: converged after 3 iterations. - iteration 31: trace = 5.522267645716784 (1.56836e-09% change) - linmin: converged after 8 iterations. - iteration 32: trace = 5.522267645679253 (6.79628e-10% change) - linmin: converged after 3 iterations. - iteration 33: trace = 5.522267645667601 (2.11001e-10% change) - linmin: converged after 3 iterations. - iteration 34: trace = 5.522267645664733 (5.19339e-11% change) + iteration 32: trace = 5.52226764567925 (6.79724e-10% change) + linmin: converged after 17 iterations. + iteration 33: trace = 5.522267645667593 (2.11081e-10% change) + linmin: converged after 4 iterations. + iteration 34: trace = 5.522267645664736 (5.17409e-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: 0.17891597747802734 +elapsed time for k point: 0.3264462947845459 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. - iteration 1: trace = 5.623415343690496 (0.88056% change) + iteration 1: trace = 5.623415343687239 (0.88056% change) linmin: converged after 5 iterations. - iteration 2: trace = 5.591482468804027 (0.569472% change) + iteration 2: trace = 5.591482468799134 (0.569472% change) linmin: converged after 5 iterations. - iteration 3: trace = 5.580951640948514 (0.188514% change) + iteration 3: trace = 5.580951640941547 (0.188514% change) linmin: converged after 5 iterations. - iteration 4: trace = 5.575083172752112 (0.105207% change) + iteration 4: trace = 5.575083172743771 (0.105207% change) linmin: converged after 5 iterations. - iteration 5: trace = 5.571618736266652 (0.0621607% change) - linmin: converged after 4 iterations. - iteration 6: trace = 5.570324107769964 (0.0232388% change) + iteration 5: trace = 5.5716187362637 (0.0621607% change) linmin: converged after 4 iterations. - iteration 7: trace = 5.569686885899481 (0.0114402% change) + iteration 6: trace = 5.57032410776755 (0.0232388% change) linmin: converged after 4 iterations. - iteration 8: trace = 5.569460656420879 (0.00406188% change) + iteration 7: trace = 5.569686885897012 (0.0114402% change) linmin: converged after 4 iterations. - iteration 9: trace = 5.569345938951588 (0.00205978% change) + iteration 8: trace = 5.569460656418335 (0.00406188% change) linmin: converged after 4 iterations. - iteration 10: trace = 5.569289951402213 (0.00100529% change) + iteration 9: trace = 5.569345938948888 (0.00205978% change) linmin: converged after 4 iterations. - iteration 11: trace = 5.569256880780017 (0.000593805% change) + iteration 10: trace = 5.569289951399389 (0.00100529% change) linmin: converged after 5 iterations. - iteration 12: trace = 5.569207664432678 (0.000883719% change) + iteration 11: trace = 5.569256880777009 (0.000593805% change) + linmin: converged after 3 iterations. + iteration 12: trace = 5.569207664429193 (0.000883719% change) linmin: converged after 3 iterations. - iteration 13: trace = 5.569133502535323 (0.00133165% change) + iteration 13: trace = 5.569133502530552 (0.00133165% change) large trace change predicted (0.00839774%) - linmin: converged after 11 iterations. - iteration 14: trace = 5.568684283173877 (0.00806656% change) + linmin: converged after 6 iterations. + iteration 14: trace = 5.568684283166318 (0.00806656% change) near maximum in trace - linmin: converged after 11 iterations. - iteration 15: trace = 5.566399673476644 (0.0410344% change) + linmin: converged after 8 iterations. + iteration 15: trace = 5.566399673126494 (0.0410344% change) linmin: converged after 4 iterations. - iteration 16: trace = 5.56554120206143 (0.0154236% change) + iteration 16: trace = 5.565541201649319 (0.0154236% change) linmin: converged after 5 iterations. - iteration 17: trace = 5.564709389340265 (0.0149469% change) - linmin: converged after 10 iterations. - iteration 18: trace = 5.56378378541742 (0.0166348% change) + iteration 17: trace = 5.564709388852071 (0.0149469% change) linmin: converged after 5 iterations. - iteration 19: trace = 5.562668009074017 (0.0200563% change) + iteration 18: trace = 5.563783784857455 (0.0166348% change) linmin: converged after 5 iterations. - iteration 20: trace = 5.56131863799777 (0.0242606% change) + iteration 19: trace = 5.562668008472645 (0.0200563% change) linmin: converged after 6 iterations. - iteration 21: trace = 5.55981363140895 (0.0270657% change) - linmin: converged after 4 iterations. - iteration 22: trace = 5.558314618877708 (0.0269652% change) - linmin: converged after 8 iterations. - iteration 23: trace = 5.556960245250648 (0.0243696% change) + iteration 20: trace = 5.56131863739102 (0.0242606% change) linmin: converged after 6 iterations. - iteration 24: trace = 5.55578958640278 (0.0210688% change) + iteration 21: trace = 5.559813630789442 (0.0270657% change) + linmin: converged after 4 iterations. + iteration 22: trace = 5.55831461823554 (0.0269652% change) linmin: converged after 5 iterations. - iteration 25: trace = 5.554798720887912 (0.0178364% change) + iteration 23: trace = 5.556960244594976 (0.0243696% change) + linmin: converged after 7 iterations. + iteration 24: trace = 5.555789586707922 (0.0210687% change) + linmin: converged after 5 iterations. + iteration 25: trace = 5.554798720819041 (0.0178364% change) linmin: converged after 4 iterations. - iteration 26: trace = 5.553994114056069 (0.0144859% change) + iteration 26: trace = 5.553994114030578 (0.0144859% change) linmin: converged after 4 iterations. - iteration 27: trace = 5.553376035790341 (0.0111292% change) + iteration 27: trace = 5.553376035796295 (0.0111292% change) linmin: converged after 4 iterations. - iteration 28: trace = 5.552913676791686 (0.00832607% change) + iteration 28: trace = 5.552913676811989 (0.00832607% change) linmin: converged after 4 iterations. - iteration 29: trace = 5.552555838061425 (0.00644437% change) + iteration 29: trace = 5.552555838089953 (0.00644437% change) linmin: converged after 4 iterations. - iteration 30: trace = 5.552254969882669 (0.0054187% change) + iteration 30: trace = 5.552254969915809 (0.0054187% change) linmin: converged after 4 iterations. - iteration 31: trace = 5.551980060803436 (0.00495143% change) + iteration 31: trace = 5.551980060835623 (0.00495143% change) linmin: converged after 4 iterations. - iteration 32: trace = 5.551718956818775 (0.00470301% change) + iteration 32: trace = 5.551718956844521 (0.00470301% change) linmin: converged after 4 iterations. - iteration 33: trace = 5.551473590298638 (0.00441975% change) + iteration 33: trace = 5.551473590315489 (0.00441975% change) linmin: converged after 4 iterations. - iteration 34: trace = 5.551249526648304 (0.00403619% change) + iteration 34: trace = 5.551249526656298 (0.00403619% change) linmin: converged after 4 iterations. - iteration 35: trace = 5.551047677278357 (0.00363617% change) + iteration 35: trace = 5.551047677277628 (0.00363617% change) linmin: converged after 3 iterations. - iteration 36: trace = 5.550864325056753 (0.00330307% change) + iteration 36: trace = 5.550864325046835 (0.00330307% change) linmin: converged after 4 iterations. - iteration 37: trace = 5.55069518896036 (0.00304707% change) - linmin: converged after 3 iterations. - iteration 38: trace = 5.550537717841829 (0.002837% change) + iteration 37: trace = 5.550695188941215 (0.00304707% change) + linmin: converged after 4 iterations. + iteration 38: trace = 5.550537717815017 (0.002837% change) linmin: converged after 3 iterations. - iteration 39: trace = 5.550390744916511 (0.00264794% change) + iteration 39: trace = 5.550390744884922 (0.00264794% change) linmin: converged after 3 iterations. - iteration 40: trace = 5.550253430476424 (0.00247399% change) + iteration 40: trace = 5.550253430443 (0.00247399% change) linmin: converged after 3 iterations. - iteration 41: trace = 5.550124903452483 (0.00231572% change) + iteration 41: trace = 5.550124903419123 (0.00231572% change) linmin: converged after 3 iterations. - iteration 42: trace = 5.550004421763178 (0.00217082% change) + iteration 42: trace = 5.550004421730387 (0.00217082% change) linmin: converged after 3 iterations. - iteration 43: trace = 5.549891461625281 (0.00203534% change) + iteration 43: trace = 5.549891461592817 (0.00203534% change) linmin: converged after 3 iterations. - iteration 44: trace = 5.549785756665897 (0.00190465% change) + iteration 44: trace = 5.549785756633441 (0.00190465% change) linmin: converged after 3 iterations. - iteration 45: trace = 5.549687477276255 (0.00177088% change) + iteration 45: trace = 5.54968747724379 (0.00177088% change) linmin: converged after 3 iterations. - iteration 46: trace = 5.549597231237004 (0.00162616% change) + iteration 46: trace = 5.549597231204658 (0.00162616% change) linmin: converged after 3 iterations. - iteration 47: trace = 5.549515437687626 (0.00147388% change) + iteration 47: trace = 5.549515437655207 (0.00147388% change) linmin: converged after 3 iterations. - iteration 48: trace = 5.549441430675321 (0.00133359% change) + iteration 48: trace = 5.54944143064245 (0.00133359% change) linmin: converged after 3 iterations. - iteration 49: trace = 5.549373300298855 (0.00122771% change) + iteration 49: trace = 5.549373300265469 (0.00122771% change) linmin: converged after 3 iterations. - iteration 50: trace = 5.549308831669031 (0.00116173% change) + iteration 50: trace = 5.549308831635857 (0.00116173% change) linmin: converged after 3 iterations. - iteration 51: trace = 5.549246789404755 (0.00111802% change) + iteration 51: trace = 5.549246789373296 (0.00111802% change) linmin: converged after 3 iterations. - iteration 52: trace = 5.549187392847323 (0.00107036% change) + iteration 52: trace = 5.549187392818978 (0.00107036% change) linmin: converged after 3 iterations. - iteration 53: trace = 5.549131424419404 (0.00100859% change) + iteration 53: trace = 5.549131424394591 (0.00100859% change) linmin: converged after 3 iterations. - iteration 54: trace = 5.549078954080353 (0.000945564% change) + iteration 54: trace = 5.549078954058159 (0.000945564% change) linmin: converged after 3 iterations. - iteration 55: trace = 5.549029214370796 (0.000896364% change) + iteration 55: trace = 5.549029214349327 (0.000896364% change) linmin: converged after 3 iterations. - iteration 56: trace = 5.548981603391212 (0.000858009% change) + iteration 56: trace = 5.548981603368159 (0.000858009% change) linmin: converged after 3 iterations. - iteration 57: trace = 5.548936441431842 (0.000813882% change) + iteration 57: trace = 5.548936441405298 (0.000813882% change) linmin: converged after 3 iterations. - iteration 58: trace = 5.548894438477236 (0.000756958% change) + iteration 58: trace = 5.548894438446435 (0.000756958% change) linmin: converged after 3 iterations. - iteration 59: trace = 5.54885547231979 (0.000702235% change) + iteration 59: trace = 5.548855472285536 (0.000702235% change) linmin: converged after 3 iterations. - iteration 60: trace = 5.548818214299883 (0.000671456% change) + iteration 60: trace = 5.548818214264243 (0.000671456% change) linmin: converged after 3 iterations. - iteration 61: trace = 5.548780940469349 (0.000671746% change) + iteration 61: trace = 5.54878094043504 (0.000671746% change) linmin: converged after 3 iterations. - iteration 62: trace = 5.548742719100585 (0.000688827% change) + iteration 62: trace = 5.548742719070007 (0.000688827% change) linmin: converged after 3 iterations. - iteration 63: trace = 5.548704070077878 (0.000696539% change) + iteration 63: trace = 5.548704070052051 (0.000696539% change) linmin: converged after 3 iterations. - iteration 64: trace = 5.548666460533379 (0.00067781% change) + iteration 64: trace = 5.548666460511527 (0.00067781% change) linmin: converged after 3 iterations. - iteration 65: trace = 5.548631157896928 (0.000636238% change) + iteration 65: trace = 5.548631157877429 (0.000636238% change) linmin: converged after 3 iterations. - iteration 66: trace = 5.548598782817293 (0.00058348% change) + iteration 66: trace = 5.548598782798809 (0.00058348% change) linmin: converged after 3 iterations. - iteration 67: trace = 5.548569723849622 (0.000523719% change) + iteration 67: trace = 5.548569723831407 (0.000523719% change) linmin: converged after 3 iterations. - iteration 68: trace = 5.548544403324941 (0.000456344% change) + iteration 68: trace = 5.548544403306618 (0.000456344% change) linmin: converged after 3 iterations. - iteration 69: trace = 5.548522919670257 (0.000387195% change) + iteration 69: trace = 5.548522919651652 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) - linmin: converged after 4 iterations. - iteration 70: trace = 5.54832997672717 (0.00347744% change) - linmin: converged after 6 iterations. - iteration 71: trace = 5.548232222533566 (0.00176188% change) linmin: converged after 5 iterations. - iteration 72: trace = 5.548180081082839 (0.000939789% change) + iteration 70: trace = 5.548329976716079 (0.00347744% change) + linmin: converged after 5 iterations. + iteration 71: trace = 5.548232222535244 (0.00176188% change) + linmin: converged after 4 iterations. + iteration 72: trace = 5.548180081084018 (0.000939789% change) linmin: converged after 4 iterations. - iteration 73: trace = 5.548158373788066 (0.000391251% change) + iteration 73: trace = 5.548158373788221 (0.000391252% change) + linmin: converged after 12 iterations. + iteration 74: trace = 5.548148375775397 (0.000180204% change) + linmin: converged after 3 iterations. + iteration 75: trace = 5.548144673475279 (6.67304e-05% change) linmin: converged after 3 iterations. - iteration 74: trace = 5.548148375773753 (0.000180204% change) + iteration 76: trace = 5.548141864893026 (5.0622e-05% change) linmin: converged after 4 iterations. - iteration 75: trace = 5.548144673473664 (6.67304e-05% change) - linmin: converged after 5 iterations. - iteration 76: trace = 5.548141864891639 (5.0622e-05% change) + iteration 77: trace = 5.548138837046131 (5.45741e-05% change) + linmin: converged after 3 iterations. + iteration 78: trace = 5.548134589430347 (7.65593e-05% change) linmin: converged after 4 iterations. - iteration 77: trace = 5.548138837045124 (5.45741e-05% change) + iteration 79: trace = 5.548128746381997 (0.000105316% change) linmin: converged after 3 iterations. - iteration 78: trace = 5.548134589429719 (7.65593e-05% change) + iteration 80: trace = 5.548123649318897 (9.187e-05% change) + linmin: converged after 3 iterations. + iteration 81: trace = 5.548120939113486 (4.88491e-05% change) linmin: converged after 3 iterations. - iteration 79: trace = 5.54812874638164 (0.000105316% change) + iteration 82: trace = 5.548119009802684 (3.47741e-05% change) linmin: converged after 4 iterations. - iteration 80: trace = 5.548123649319511 (9.187e-05% change) + iteration 83: trace = 5.54811826253431 (1.34689e-05% change) linmin: converged after 3 iterations. - iteration 81: trace = 5.548120939114072 (4.88491e-05% change) + iteration 84: trace = 5.548117907882043 (6.3923e-06% change) linmin: converged after 3 iterations. - iteration 82: trace = 5.548119009802691 (3.47741e-05% change) - linmin: converged after 4 iterations. - iteration 83: trace = 5.548118262534333 (1.34689e-05% change) - linmin: converged after 6 iterations. - iteration 84: trace = 5.548117907882059 (6.3923e-06% change) - linmin: converged after 2 iterations. - iteration 85: trace = 5.548117802015845 (1.90815e-06% change) + iteration 85: trace = 5.548117802015853 (1.90815e-06% change) linmin: converged after 2 iterations. - iteration 86: trace = 5.548117741686868 (1.08738e-06% change) + iteration 86: trace = 5.548117741686889 (1.08738e-06% change) + linmin: converged after 3 iterations. + iteration 87: trace = 5.548117729428171 (2.20953e-07% change) + linmin: converged after 15 iterations. + iteration 88: trace = 5.548117726415588 (5.42992e-08% change) + linmin: converged after 3 iterations. + iteration 89: trace = 5.548117725588876 (1.49008e-08% change) linmin: converged after 4 iterations. - iteration 87: trace = 5.548117729428187 (2.20952e-07% change) - linmin: converged after 2 iterations. - iteration 88: trace = 5.548117726415603 (5.42992e-08% change) - linmin: converged after 2 iterations. - iteration 89: trace = 5.548117725588883 (1.49009e-08% change) - linmin: converged after 12 iterations. - iteration 90: trace = 5.548117725372837 (3.89404e-09% change) + iteration 90: trace = 5.548117725372838 (3.89389e-09% change) linmin: converged after 7 iterations. - iteration 91: trace = 5.548117725334802 (6.85554e-10% change) - linmin: converged after 4 iterations. - iteration 92: trace = 5.548117725327043 (1.39836e-10% change) - linmin: converged after 3 iterations. - iteration 93: trace = 5.548117725324978 (3.72201e-11% change) + iteration 91: trace = 5.548117725334806 (6.8549e-10% change) + linmin: converged after 5 iterations. + iteration 92: trace = 5.548117725327035 (1.4006e-10% change) + linmin: converged after 2 iterations. + iteration 93: trace = 5.548117725324985 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -.elapsed time for k point: 0.42092132568359375 +.elapsed time for k point: 0.6692585945129395 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489877 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497226764 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160889 at Vector3<0.5, 0.5, 0.0> -Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.773226559306976 at Vector3<0.0, 0.0, 0.0> -Band 4 range: 0.6791690130757019 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677096 at Vector3<0.3, 0.3, 0.0> -Band 5 range: 0.8241814443502165 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855877 at Vector3<0.0, 0.0, 0.0> +Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> +Band 4 range: 0.6791690130757019 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677093 at Vector3<0.3, 0.3, 0.0> +Band 5 range: 0.8241814443502165 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855878 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8819770916660683 at Vector3<0.5, 0.5, 0.0> to 1.0291597050648278 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421857 at Vector3<0.5, 0.5, 0.0> to 1.0860729323744873 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635115244 at Vector3<0.5, 0.0, 0.0> to 1.111917370755693 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160889) to band 3 (0.5931535863117833), 0.002203870977633219% -Gap from band 4 (0.8096891551677096) to band 5 (0.8241814443502165), 1.7739824912429227% +Gap from band 4 (0.8096891551677093) to band 5 (0.8241814443502165), 1.77398249124295% Gap from band 7 (1.0860729323744873) to band 8 (1.0878689635115244), 0.16523267162162025% -total elapsed time for run: 3.7551629543304443 +total elapsed time for run: 5.591737508773804 done -/tmp/meepGWbq13/test_set_eigenvectors-0: 11.45s +/tmp/meepGSue4y/test_set_eigenvectors-0: 16.62s -/tmp/meepGWbq13/test_sq_rods-0 +/tmp/meepGSue4y/test_sq_rods-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -84623,7 +84771,7 @@ 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: 0.013202190399169922 +elapsed time for initialization: 0.004961729049682617 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... @@ -84722,7 +84870,7 @@ iteration 46: trace = 5.62886416901309 (5.90292e-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: 0.16255640983581543 +elapsed time for k point: 0.33248305320739746 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -85001,7 +85149,7 @@ iteration 134: trace = 5.63851519575992 (7.1262e-11% change) Finished solving for bands 1 to 8 after 134 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897998, 0.56021, 0.767785, 0.782438, 0.912603, 1.00889, 1.00949, 1.11586 -elapsed time for k point: 0.6789090633392334 +elapsed time for k point: 1.2577126026153564 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85060,7 +85208,7 @@ iteration 27: trace = 5.595179271816549 (4.71775e-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: 0.12659692764282227 +elapsed time for k point: 0.2578272819519043 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85109,7 +85257,7 @@ iteration 22: trace = 5.577903304673048 (5.968e-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: 0.1059415340423584 +elapsed time for k point: 0.21111512184143066 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85168,7 +85316,7 @@ iteration 27: trace = 5.594031416858376 (7.94021e-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: 0.12091183662414551 +elapsed time for k point: 0.2570047378540039 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85271,7 +85419,7 @@ iteration 48: trace = 5.637414337940055 (7.81609e-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: 0.3661155700683594 +elapsed time for k point: 0.4524233341217041 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -85342,7 +85490,7 @@ iteration 33: trace = 5.518941371312554 (7.7119e-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: 0.16955995559692383 +elapsed time for k point: 0.31413960456848145 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85401,7 +85549,7 @@ iteration 27: trace = 5.342524465514547 (5.96993e-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: 0.14039301872253418 +elapsed time for k point: 0.25786423683166504 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85452,7 +85600,7 @@ iteration 23: trace = 5.199556238067977 (9.54361e-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: 0.1145782470703125 +elapsed time for k point: 0.2205057144165039 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85504,7 +85652,7 @@ iteration 23: trace = 5.110086770190959 (3.55439e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.495605, 0.556867, 0.601739, 0.720584, 0.858432, 0.897772, 0.926611, 1.12762 -elapsed time for k point: 0.12380623817443848 +elapsed time for k point: 0.22081613540649414 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85554,7 +85702,7 @@ iteration 22: trace = 5.07982777007301 (8.14249e-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: 0.12575817108154297 +elapsed time for k point: 0.21123909950256348 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85595,7 +85743,7 @@ iteration 18: trace = 5.139784911490274 (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: 0.08745956420898438 +elapsed time for k point: 0.1739802360534668 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85640,7 +85788,7 @@ iteration 20: trace = 5.307924174329594 (7.09817e-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: 0.10392642021179199 +elapsed time for k point: 0.19238662719726562 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -85697,7 +85845,7 @@ iteration 26: trace = 5.515690777956149 (3.9967e-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: 0.12520337104797363 +elapsed time for k point: 0.24904131889343262 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -85772,7 +85920,7 @@ iteration 35: trace = 5.620307970788174 (8.50993e-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: 0.17156529426574707 +elapsed time for k point: 0.3327314853668213 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -85950,7 +86098,7 @@ iteration 85: trace = 5.628864169011924 (5.70884e-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: 0.3465738296508789 +elapsed time for k point: 0.6049931049346924 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.503605801521903 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4446229134706742 at Vector3<0.5, 0.0, 0.0> to 0.5943440245519604 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5943566394470332 at Vector3<0.5, 0.5, 0.0> to 0.7808428121911946 at Vector3<0.0, 0.0, 0.0> @@ -85962,7 +86110,7 @@ Gap from band 2 (0.5943440245519604) to band 3 (0.5943566394470332), 0.0021224679105202745% Gap from band 4 (0.8173893719542902) to band 5 (0.8304573822339181), 1.586071064729037% Gap from band 7 (1.095802149222103) to band 8 (1.0974168095854049), 0.14724114587991183% -total elapsed time for run: 3.0860402584075928 +total elapsed time for run: 5.554227828979492 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -86004,7 +86152,7 @@ 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: 0.009989023208618164 +elapsed time for initialization: 0.004788637161254883 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... @@ -86081,7 +86229,7 @@ iteration 35: trace = 4.483798274693359 (8.37112e-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: 0.13252949714660645 +elapsed time for k point: 0.2565302848815918 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -86140,7 +86288,7 @@ iteration 27: trace = 4.398155533647466 (5.75337e-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: 0.1278221607208252 +elapsed time for k point: 0.2593495845794678 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -86171,7 +86319,7 @@ iteration 13: trace = 4.314465855715584 (1.70453e-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: 0.06850528717041016 +elapsed time for k point: 0.12824559211730957 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -86202,7 +86350,7 @@ iteration 13: trace = 4.256363888498333 (1.19777e-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: 0.0629119873046875 +elapsed time for k point: 0.1272118091583252 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -86233,7 +86381,7 @@ iteration 13: trace = 4.226095324429571 (1.06764e-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: 0.06578326225280762 +elapsed time for k point: 0.12665677070617676 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -86266,7 +86414,7 @@ iteration 14: trace = 4.217772179352382 (6.65854e-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: 0.06461572647094727 +elapsed time for k point: 0.13651251792907715 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -86293,7 +86441,7 @@ iteration 11: trace = 4.205423828027402 (3.80791e-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: 0.0532526969909668 +elapsed time for k point: 0.1098024845123291 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -86322,7 +86470,7 @@ iteration 12: trace = 4.182592281022644 (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: 0.06490206718444824 +elapsed time for k point: 0.11802029609680176 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -86351,7 +86499,7 @@ iteration 12: trace = 4.167811239279437 (1.56845e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.270963, 0.470322, 0.524053, 0.701396, 0.810963, 0.864394, 0.877683, 0.965108 -elapsed time for k point: 0.0562894344329834 +elapsed time for k point: 0.11818170547485352 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -86384,7 +86532,7 @@ iteration 14: trace = 4.169023318668043 (1.8769e-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: 0.06525325775146484 +elapsed time for k point: 0.13670730590820312 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -86419,7 +86567,7 @@ 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: 0.06936883926391602 +elapsed time for k point: 0.14612317085266113 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -86458,7 +86606,7 @@ iteration 17: trace = 4.141012578035554 (3.47034e-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: 0.08232712745666504 +elapsed time for k point: 0.1647648811340332 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -86487,7 +86635,7 @@ iteration 12: trace = 4.141330405700028 (2.95535e-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: 0.05591320991516113 +elapsed time for k point: 0.11849045753479004 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -86516,7 +86664,7 @@ iteration 12: trace = 4.213521375941404 (1.82125e-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: 0.0656583309173584 +elapsed time for k point: 0.1179356575012207 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -86547,7 +86695,7 @@ iteration 13: trace = 4.345426086018988 (7.15174e-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: 0.06597185134887695 +elapsed time for k point: 0.12785696983337402 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. @@ -86680,7 +86828,7 @@ iteration 59: trace = 4.483798024156444 (6.1684e-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: 0.20836305618286133 +.elapsed time for k point: 0.4275946617126465 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.28590577911965437 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4206573383997506 at Vector3<0.5, 0.0, 0.0> to 0.5503360754831278 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.5029830978365973 at Vector3<0.5, 0.5, 0.0> to 0.5671632878128113 at Vector3<0.5, 0.0, 0.0> @@ -86691,11 +86839,11 @@ Band 8 range: 0.8929933495598095 at Vector3<0.5, 0.5, 0.0> to 1.0893776820093315 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.28590577911965437) to band 2 (0.4206573383997506), 38.142822895477686% Gap from band 4 (0.7200918204563995) to band 5 (0.7472029910480829), 3.695395142014446% -total elapsed time for run: 1.3219542503356934 +total elapsed time for run: 2.6261839866638184 done -/tmp/meepGWbq13/test_sq_rods-0: 4.95s +/tmp/meepGSue4y/test_sq_rods-0: 8.18s -/tmp/meepGWbq13/test_strip-0 +/tmp/meepGSue4y/test_strip-0 ======================== Initializing eigensolver data Computing 4 bands with 1e-12 tolerance @@ -86737,7 +86885,7 @@ 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: 0.01615118980407715 +elapsed time for initialization: 0.01600170135498047 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... @@ -86826,7 +86974,7 @@ iteration 41: trace = 0.2686493130629632 (8.20736e-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: 0.3467588424682617 +elapsed time for k point: 0.7226908206939697 zparity:, 1, 0.9918457643226338, -0.9993165778920644, 0.926395271368805, 0.7342879853873218 yparity:, 1, -0.9999999941669422, 0.9999999948774904, 0.9999993171459365, -0.9999903437920776 solve_kpoint (0.39,0,0): @@ -86893,7 +87041,7 @@ iteration 30: trace = 0.6068839394817217 (4.75274e-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: 0.24085116386413574 +elapsed time for k point: 0.5303757190704346 zparity:, 2, 0.8497976290527695, -0.8562083115829556, 0.6135047144565172, 0.704049364345128 yparity:, 2, -0.9999999782411544, 0.9999997901628063, 1.0000058683416102, -0.9999353452620497 solve_kpoint (0.68,0,0): @@ -86966,7 +87114,7 @@ iteration 33: trace = 1.207704486916823 (5.61315e-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: 0.26538705825805664 +elapsed time for k point: 0.5825495719909668 zparity:, 3, 0.643047109774545, -0.5132970564886054, 0.7493332279009369, -0.5174581392304315 yparity:, 3, -1.0000092437102872, 0.9999867307863184, -0.9999773484877517, 0.9999739527336196 solve_kpoint (0.97,0,0): @@ -87029,7 +87177,7 @@ iteration 28: trace = 1.883192742813694 (5.92255e-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: 0.2338266372680664 +elapsed time for k point: 0.49616217613220215 zparity:, 4, 0.9505599456750937, -0.7953782494198476, 0.29095932960125614, -0.2599400191342861 yparity:, 4, -0.9999756485608148, 0.9999734198098761, -0.9999951573074101, 1.0000024021439402 solve_kpoint (1.26,0,0): @@ -87142,7 +87290,7 @@ iteration 53: trace = 2.604105949809354 (7.32445e-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: 0.4205594062805176 +elapsed time for k point: 0.9253246784210205 zparity:, 5, 0.989433203646882, -0.9410345597949186, -0.9057097520505684, 0.12590511647804528 yparity:, 5, -0.9999341958043352, 0.9999920496325992, -0.9999957145770425, 1.0000214447210682 solve_kpoint (1.55,0,0): @@ -87207,7 +87355,7 @@ iteration 29: trace = 3.170970083323865 (9.72496e-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: 0.32987427711486816 +elapsed time for k point: 0.5144209861755371 zparity:, 6, 0.9953267395060865, -0.9730766670052251, -0.9862479112205113, 0.7878496623745026 yparity:, 6, -0.9999079119736635, 0.9999964725102661, -1.0000003774904456, 1.0001762821190752 solve_kpoint (1.84,0,0): @@ -87280,7 +87428,7 @@ iteration 32: trace = 3.666115155387485 (3.64612e-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: 0.3937835693359375 +elapsed time for k point: 0.5657792091369629 zparity:, 7, 0.9973241081199105, -0.9843536270515989, -0.9920656947487942, 0.9432892229296927 yparity:, 7, -0.9998843493066252, 0.9999987176029624, -1.000004228954917, 1.0002512952520046 solve_kpoint (2.13,0,0): @@ -87514,7 +87662,7 @@ iteration 111: trace = 4.142245065134231 (5.78718e-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: 0.9010412693023682 +elapsed time for k point: 1.9262592792510986 zparity:, 8, 0.9982486290503901, -0.9895791223045428, -0.9942480254115191, -0.9858374395352655 yparity:, 8, -0.9998633636072632, 1.0000002772665169, -1.0000094946200577, -0.9998446077371536 solve_kpoint (2.42,0,0): @@ -87565,7 +87713,7 @@ iteration 22: trace = 4.658682156001962 (6.47067e-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: 0.1681671142578125 +elapsed time for k point: 0.3917684555053711 zparity:, 9, 0.9987530861904854, -0.9924225574132964, -0.995415920790763, -0.9908510257238302 yparity:, 9, -0.9998459146893232, 1.0000015100368125, -1.0000160082784346, -0.9998409671135013 solve_kpoint (2.71,0,0): @@ -87604,7 +87752,7 @@ iteration 16: trace = 5.225821941816037 (8.95007e-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: 0.1275773048400879 +elapsed time for k point: 0.2884554862976074 zparity:, 10, 0.9990584518844072, -0.9941385054596943, -0.9961444762112248, -0.9934909746545189 yparity:, 10, -0.9998332718977166, 1.0000025246212394, -1.000023092333594, -0.9998348121387619 solve_kpoint (3,0,0): @@ -87643,18 +87791,18 @@ iteration 16: trace = 5.844970311253999 (6.84562e-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: 0.13206696510314941 +Felapsed time for k point: 0.28915858268737793 zparity:, 11, 0.9992573509363838, -0.9952507980579904, -0.9966396089669461, -0.9950905165813236 yparity:, 11, -0.9998264814151185, 1.0000033584035104, -1.0000301573652741, -0.9998331550674222 Band 1 range: 0.08075820534047551 at Vector3<0.1, 0.0, 0.0> to 1.0814996932106404 at Vector3<3.0, 0.0, 0.0> Band 2 range: 0.08557653550125197 at Vector3<0.1, 0.0, 0.0> to 1.104285309790447 at Vector3<3.0, 0.0, 0.0> Band 3 range: 0.31469968003306087 at Vector3<0.1, 0.0, 0.0> to 1.2769288087738524 at Vector3<3.0, 0.0, 0.0> Band 4 range: 0.39467479434570146 at Vector3<0.1, 0.0, 0.0> to 1.3510497758201507 at Vector3<3.0, 0.0, 0.0> -total elapsed time for run: 3.598992347717285 +total elapsed time for run: 7.253498792648315 done -/tmp/meepGWbq13/test_strip-0: 4.29s +/tmp/meepGSue4y/test_strip-0: 7.26s -/tmp/meepGWbq13/test_subpixel_averaging-0 +/tmp/meepGSue4y/test_subpixel_averaging-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -87697,7 +87845,7 @@ 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: 0.011266946792602539 +elapsed time for initialization: 0.005128622055053711 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... @@ -87808,7 +87956,7 @@ iteration 52: trace = 5.548117725324874 (4.74016e-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: 0.30626845359802246 +elapsed time for k point: 0.37656641006469727 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -88059,7 +88207,7 @@ iteration 121: trace = 5.540497242579405 (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: 0.8551981449127197 +elapsed time for k point: 1.1308510303497314 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -88116,7 +88264,7 @@ iteration 26: trace = 5.499374946276068 (6.759e-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: 0.11942839622497559 +elapsed time for k point: 0.24884939193725586 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -88169,7 +88317,7 @@ iteration 24: trace = 5.48545908008786 (6.15763e-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: 0.1095733642578125 +elapsed time for k point: 0.2297687530517578 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -88230,7 +88378,7 @@ iteration 28: trace = 5.504362091981045 (5.80892e-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: 0.1394662857055664 +elapsed time for k point: 0.2664058208465576 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -88268,759 +88416,780 @@ linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647863 (0.000159654% change) linmin: converged after 4 iterations. - switching to approximate line minimization (decrease time by 81.489%) iteration 18: trace = 5.538870014294858 (8.31099e-05% change) - iteration 19: trace = 5.538868744327893 (2.29283e-05% change) - iteration 20: trace = 5.538868254315878 (8.84679e-06% change) - iteration 21: trace = 5.538867928504817 (5.88227e-06% change) - iteration 22: trace = 5.538867707356849 (3.99266e-06% change) - iteration 23: trace = 5.538867530768234 (3.18817e-06% change) - iteration 24: trace = 5.538867392463454 (2.49699e-06% change) - iteration 25: trace = 5.538867282537994 (1.98462e-06% change) - iteration 26: trace = 5.538867196567693 (1.55213e-06% change) - iteration 27: trace = 5.538867107785724 (1.60289e-06% change) - iteration 28: trace = 5.538866990684789 (2.11417e-06% change) - iteration 29: trace = 5.538866904152137 (1.56228e-06% change) - iteration 30: trace = 5.538866877338128 (4.84106e-07% change) - iteration 31: trace = 5.538866871033765 (1.1382e-07% change) - iteration 32: trace = 5.538866869547366 (2.68358e-08% change) - iteration 33: trace = 5.538866869088184 (8.29018e-09% change) - iteration 34: trace = 5.538866868882353 (3.71612e-09% change) - iteration 35: trace = 5.538866868761365 (2.18436e-09% change) - iteration 36: trace = 5.53886686869212 (1.25017e-09% change) - iteration 37: trace = 5.538866868640731 (9.27775e-10% change) - iteration 38: trace = 5.538866868614518 (4.73268e-10% change) - iteration 39: trace = 5.538866868605019 (1.71498e-10% change) - iteration 40: trace = 5.538866868599547 (9.87779e-11% change) + linmin: converged after 3 iterations. + iteration 19: trace = 5.538868744327784 (2.29283e-05% change) + linmin: converged after 4 iterations. + iteration 20: trace = 5.538868254295129 (8.84716e-06% change) + linmin: converged after 4 iterations. + iteration 21: trace = 5.538867928490531 (5.88215e-06% change) + linmin: converged after 4 iterations. + iteration 22: trace = 5.538867707344398 (3.99262e-06% change) + linmin: converged after 2 iterations. + iteration 23: trace = 5.538867530765342 (3.188e-06% change) + linmin: converged after 2 iterations. + iteration 24: trace = 5.538867392460336 (2.49699e-06% change) + linmin: converged after 3 iterations. + iteration 25: trace = 5.538867282536019 (1.9846e-06% change) + linmin: converged after 3 iterations. + iteration 26: trace = 5.538867196566915 (1.55211e-06% change) + linmin: converged after 2 iterations. + iteration 27: trace = 5.538867107786912 (1.60285e-06% change) + linmin: converged after 18 iterations. + iteration 28: trace = 5.538866990688319 (2.11413e-06% change) + linmin: converged after 4 iterations. + iteration 29: trace = 5.538866904153274 (1.56232e-06% change) + linmin: converged after 2 iterations. + iteration 30: trace = 5.538866877339769 (4.84097e-07% change) + linmin: converged after 2 iterations. + iteration 31: trace = 5.538866871035422 (1.1382e-07% change) + linmin: converged after 4 iterations. + iteration 32: trace = 5.538866869548946 (2.68372e-08% change) + linmin: converged after 4 iterations. + iteration 33: trace = 5.538866869089641 (8.29241e-09% change) + linmin: converged after 4 iterations. + iteration 34: trace = 5.538866868883638 (3.71921e-09% change) + linmin: converged after 6 iterations. + iteration 35: trace = 5.538866868762462 (2.18774e-09% change) + linmin: converged after 4 iterations. + iteration 36: trace = 5.53886686869304 (1.25337e-09% change) + linmin: converged after 7 iterations. + iteration 37: trace = 5.538866868641483 (9.30822e-10% change) + linmin: converged after 3 iterations. + iteration 38: trace = 5.53886686861515 (4.75417e-10% change) + linmin: converged after 4 iterations. + iteration 39: trace = 5.538866868605585 (1.72685e-10% change) + linmin: converged after 6 iterations. + iteration 40: trace = 5.538866868600049 (9.99485e-11% change) Finished solving for bands 1 to 8 after 40 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: 0.26839518547058105 +elapsed time for k point: 0.3779456615447998 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. - iteration 1: trace = 5.490847156512494 (1.61896% change) + iteration 1: trace = 5.490847156877346 (1.61896% change) linmin: converged after 5 iterations. - iteration 2: trace = 5.441600187213532 (0.900932% change) + iteration 2: trace = 5.441600186870108 (0.900932% change) linmin: converged after 4 iterations. - iteration 3: trace = 5.429126920025496 (0.229484% change) + iteration 3: trace = 5.429126918813395 (0.229484% change) linmin: converged after 3 iterations. - iteration 4: trace = 5.42393498472612 (0.0956769% change) + iteration 4: trace = 5.423934983907605 (0.0956769% change) linmin: converged after 3 iterations. - iteration 5: trace = 5.421565458636989 (0.043696% change) - linmin: converged after 4 iterations. - iteration 6: trace = 5.420537499860993 (0.0189624% change) + iteration 5: trace = 5.421565458546377 (0.043696% change) linmin: converged after 4 iterations. - iteration 7: trace = 5.42007975847848 (0.00844493% change) + iteration 6: trace = 5.420537499876169 (0.0189623% change) linmin: converged after 4 iterations. - iteration 8: trace = 5.419922056557389 (0.00290963% change) + iteration 7: trace = 5.420079758485103 (0.00844493% change) linmin: converged after 4 iterations. - iteration 9: trace = 5.419861803664652 (0.0011117% change) + iteration 8: trace = 5.419922056553828 (0.00290963% change) linmin: converged after 4 iterations. - iteration 10: trace = 5.419827885472831 (0.000625815% change) - linmin: converged after 3 iterations. - iteration 11: trace = 5.419810483686716 (0.000321077% change) - linmin: converged after 6 iterations. - iteration 12: trace = 5.41980218284023 (0.000153158% change) + iteration 9: trace = 5.41986180365376 (0.0011117% change) linmin: converged after 4 iterations. - iteration 13: trace = 5.419798983958125 (5.90221e-05% change) + iteration 10: trace = 5.419827885464855 (0.000625815% change) linmin: converged after 5 iterations. - iteration 14: trace = 5.419798149580331 (1.5395e-05% change) + iteration 11: trace = 5.419810483685045 (0.000321077% change) + linmin: converged after 5 iterations. + iteration 12: trace = 5.41980218283994 (0.000153158% change) linmin: converged after 4 iterations. - iteration 15: trace = 5.419797850874621 (5.51138e-06% change) - linmin: converged after 2 iterations. - iteration 16: trace = 5.419797772234658 (1.45098e-06% change) - linmin: converged after 2 iterations. - iteration 17: trace = 5.419797748463075 (4.38606e-07% change) + iteration 13: trace = 5.419798983957699 (5.90221e-05% change) linmin: converged after 4 iterations. - iteration 18: trace = 5.419797738495855 (1.83904e-07% change) - linmin: converged after 6 iterations. - iteration 19: trace = 5.419797735536501 (5.46027e-08% change) - linmin: converged after 5 iterations. - iteration 20: trace = 5.419797734024458 (2.78985e-08% change) + iteration 14: trace = 5.419798149579847 (1.5395e-05% change) linmin: converged after 3 iterations. - iteration 21: trace = 5.419797733449021 (1.06173e-08% change) + iteration 15: trace = 5.419797850874148 (5.51138e-06% change) linmin: converged after 2 iterations. - iteration 22: trace = 5.419797733207923 (4.44848e-09% change) - linmin: converged after 4 iterations. - iteration 23: trace = 5.419797733102152 (1.95156e-09% change) + iteration 16: trace = 5.419797772234243 (1.45097e-06% change) + linmin: converged after 2 iterations. + iteration 17: trace = 5.4197977484627 (4.38606e-07% change) + linmin: converged after 24 iterations. + iteration 18: trace = 5.419797738495506 (1.83903e-07% change) linmin: converged after 3 iterations. - iteration 24: trace = 5.419797733058201 (8.10944e-10% change) - linmin: converged after 6 iterations. - iteration 25: trace = 5.41979773303733 (3.85077e-10% change) - linmin: converged after 5 iterations. - iteration 26: trace = 5.419797733021248 (2.96731e-10% change) - linmin: converged after 5 iterations. - iteration 27: trace = 5.419797733006944 (2.63923e-10% change) + iteration 19: trace = 5.419797735536185 (5.46021e-08% change) + linmin: converged after 3 iterations. + iteration 20: trace = 5.419797734024172 (2.7898e-08% change) linmin: converged after 2 iterations. - iteration 28: trace = 5.419797732997708 (1.70415e-10% change) - linmin: converged after 4 iterations. - iteration 29: trace = 5.419797732989954 (1.43064e-10% change) - linmin: converged after 5 iterations. - iteration 30: trace = 5.419797732981692 (1.52438e-10% change) + iteration 21: trace = 5.41979773344876 (1.06168e-08% change) linmin: converged after 3 iterations. - iteration 31: trace = 5.41979773297124 (1.9285e-10% change) + iteration 22: trace = 5.419797733207694 (4.44789e-09% change) + linmin: converged after 2 iterations. + iteration 23: trace = 5.419797733101934 (1.95136e-09% change) linmin: converged after 8 iterations. - iteration 32: trace = 5.419797732962817 (1.55421e-10% change) + iteration 24: trace = 5.419797733057997 (8.10682e-10% change) linmin: converged after 6 iterations. - iteration 33: trace = 5.419797732958326 (8.2856e-11% change) + iteration 25: trace = 5.419797733037144 (3.8475e-10% change) + linmin: converged after 3 iterations. + iteration 26: trace = 5.419797733021104 (2.95945e-10% change) + linmin: converged after 3 iterations. + iteration 27: trace = 5.419797733006833 (2.63317e-10% change) + linmin: converged after 9 iterations. + iteration 28: trace = 5.419797732997613 (1.7012e-10% change) + linmin: converged after 5 iterations. + iteration 29: trace = 5.419797732989884 (1.42605e-10% change) + linmin: converged after 3 iterations. + iteration 30: trace = 5.41979773298165 (1.5193e-10% change) + linmin: converged after 3 iterations. + iteration 31: trace = 5.419797732971225 (1.92342e-10% change) + linmin: converged after 7 iterations. + iteration 32: trace = 5.419797732962824 (1.55011e-10% change) + linmin: converged after 3 iterations. + iteration 33: trace = 5.41979773295833 (8.29052e-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: 0.16968178749084473 +elapsed time for k point: 0.31287169456481934 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 5.256818585242597 (0.493447% change) + iteration 1: trace = 5.256818585242216 (0.493447% change) linmin: converged after 5 iterations. - iteration 2: trace = 5.245516345636437 (0.215233% change) + iteration 2: trace = 5.245516345639081 (0.215233% change) linmin: converged after 4 iterations. - iteration 3: trace = 5.242859628965629 (0.0506602% change) + iteration 3: trace = 5.242859628968006 (0.0506602% change) linmin: converged after 4 iterations. - iteration 4: trace = 5.241807773785514 (0.0200646% change) - linmin: converged after 3 iterations. - iteration 5: trace = 5.24121421227774 (0.0113242% change) + iteration 4: trace = 5.241807773786862 (0.0200646% change) linmin: converged after 3 iterations. - iteration 6: trace = 5.241004235893779 (0.00400633% change) + iteration 5: trace = 5.241214212278139 (0.0113242% change) linmin: converged after 4 iterations. - iteration 7: trace = 5.240908449571063 (0.00182765% change) + iteration 6: trace = 5.241004235893853 (0.00400633% change) linmin: converged after 4 iterations. - iteration 8: trace = 5.240871741595193 (0.000700415% change) + iteration 7: trace = 5.240908449571047 (0.00182765% change) linmin: converged after 4 iterations. - iteration 9: trace = 5.240860283765561 (0.000218625% change) - linmin: converged after 7 iterations. - iteration 10: trace = 5.240855477875896 (9.17004e-05% change) + iteration 8: trace = 5.240871741595182 (0.000700415% change) + linmin: converged after 4 iterations. + iteration 9: trace = 5.240860283765565 (0.000218625% change) + linmin: converged after 5 iterations. + iteration 10: trace = 5.240855477875888 (9.17004e-05% change) linmin: converged after 3 iterations. - iteration 11: trace = 5.240854364697245 (2.12404e-05% change) + iteration 11: trace = 5.24085436469723 (2.12404e-05% change) linmin: converged after 2 iterations. - iteration 12: trace = 5.240854047784752 (6.04696e-06% change) + iteration 12: trace = 5.240854047784748 (6.04696e-06% change) linmin: converged after 2 iterations. - iteration 13: trace = 5.240853968320237 (1.51625e-06% change) + iteration 13: trace = 5.240853968320218 (1.51625e-06% change) linmin: converged after 4 iterations. - iteration 14: trace = 5.240853954363327 (2.6631e-07% change) - linmin: converged after 7 iterations. - iteration 15: trace = 5.240853950741772 (6.91024e-08% change) - linmin: converged after 16 iterations. - iteration 16: trace = 5.240853949553746 (2.26686e-08% change) - linmin: converged after 5 iterations. - iteration 17: trace = 5.240853949178243 (7.16492e-09% change) + iteration 14: trace = 5.240853954363313 (2.6631e-07% change) linmin: converged after 3 iterations. - iteration 18: trace = 5.240853949030612 (2.81693e-09% change) - linmin: converged after 7 iterations. - iteration 19: trace = 5.240853948975938 (1.04322e-09% change) - linmin: converged after 5 iterations. - iteration 20: trace = 5.240853948939046 (7.03936e-10% change) - linmin: converged after 18 iterations. - iteration 21: trace = 5.240853948882982 (1.06976e-09% change) - linmin: converged after 11 iterations. - iteration 22: trace = 5.240853948833452 (9.45061e-10% change) + iteration 15: trace = 5.240853950741766 (6.91022e-08% change) linmin: converged after 9 iterations. - iteration 23: trace = 5.240853948802395 (5.92593e-10% change) - linmin: converged after 2 iterations. - iteration 24: trace = 5.24085394877814 (4.62811e-10% change) + iteration 16: trace = 5.240853949553741 (2.26685e-08% change) + linmin: converged after 3 iterations. + iteration 17: trace = 5.240853949178232 (7.16504e-09% change) + linmin: converged after 5 iterations. + iteration 18: trace = 5.24085394903061 (2.81674e-09% change) + linmin: converged after 3 iterations. + iteration 19: trace = 5.240853948975943 (1.0431e-09% change) + linmin: converged after 10 iterations. + iteration 20: trace = 5.240853948939043 (7.04072e-10% change) + linmin: converged after 3 iterations. + iteration 21: trace = 5.240853948882973 (1.06988e-09% change) linmin: converged after 4 iterations. - iteration 25: trace = 5.240853948757223 (3.99124e-10% change) - linmin: converged after 6 iterations. - iteration 26: trace = 5.240853948742312 (2.8451e-10% change) + iteration 22: trace = 5.240853948833452 (9.44892e-10% change) + linmin: converged after 8 iterations. + iteration 23: trace = 5.2408539488024 (5.92508e-10% change) + linmin: converged after 4 iterations. + iteration 24: trace = 5.240853948778135 (4.62998e-10% change) + linmin: converged after 4 iterations. + iteration 25: trace = 5.240853948757218 (3.99107e-10% change) + linmin: converged after 5 iterations. + iteration 26: trace = 5.240853948742308 (2.84493e-10% change) linmin: converged after 3 iterations. - iteration 27: trace = 5.240853948735857 (1.23155e-10% change) - linmin: converged after 6 iterations. - iteration 28: trace = 5.240853948733923 (3.6911e-11% change) + iteration 27: trace = 5.240853948735861 (1.2302e-10% change) + linmin: converged after 3 iterations. + iteration 28: trace = 5.240853948733921 (3.70127e-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: 0.13683819770812988 +elapsed time for k point: 0.26650166511535645 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 5.102472984912691 (0.252117% change) + iteration 1: trace = 5.102472984912457 (0.252117% change) linmin: converged after 3 iterations. - iteration 2: trace = 5.098134061052768 (0.0850719% change) + iteration 2: trace = 5.098134061052733 (0.0850719% change) linmin: converged after 4 iterations. - iteration 3: trace = 5.097086787866141 (0.0205444% change) + iteration 3: trace = 5.097086787866149 (0.0205444% change) linmin: converged after 4 iterations. - iteration 4: trace = 5.096768814833578 (0.00623852% change) - linmin: converged after 3 iterations. - iteration 5: trace = 5.096616721986508 (0.00298415% change) + iteration 4: trace = 5.096768814833575 (0.00623852% change) + linmin: converged after 5 iterations. + iteration 5: trace = 5.096616721986498 (0.00298415% change) + linmin: converged after 7 iterations. + iteration 6: trace = 5.096573167031527 (0.000854589% change) linmin: converged after 3 iterations. - iteration 6: trace = 5.096573167031529 (0.000854589% change) - linmin: converged after 9 iterations. - iteration 7: trace = 5.0965563874665 (0.000329233% change) - linmin: converged after 6 iterations. - iteration 8: trace = 5.096548105120989 (0.000162509% change) + iteration 7: trace = 5.096556387466518 (0.000329233% change) linmin: converged after 4 iterations. - iteration 9: trace = 5.0965455319782 (5.0488e-05% change) + iteration 8: trace = 5.096548105120988 (0.000162509% change) linmin: converged after 4 iterations. - iteration 10: trace = 5.096544550143697 (1.92647e-05% change) - linmin: converged after 3 iterations. - iteration 11: trace = 5.096544340283732 (4.11769e-06% change) - linmin: converged after 15 iterations. - iteration 12: trace = 5.096544290838747 (9.70167e-07% change) - linmin: converged after 2 iterations. - iteration 13: trace = 5.096544277659979 (2.58582e-07% change) + iteration 9: trace = 5.096545531978215 (5.0488e-05% change) + linmin: converged after 4 iterations. + iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. - iteration 14: trace = 5.096544274637568 (5.93032e-08% change) - linmin: converged after 27 iterations. - iteration 15: trace = 5.096544273956442 (1.33645e-08% change) + iteration 11: trace = 5.096544340283731 (4.11769e-06% change) + linmin: converged after 4 iterations. + iteration 12: trace = 5.096544290838743 (9.70167e-07% change) linmin: converged after 2 iterations. - iteration 16: trace = 5.096544273766988 (3.7173e-09% change) + iteration 13: trace = 5.096544277659969 (2.58583e-07% change) + linmin: converged after 21 iterations. + iteration 14: trace = 5.096544274637566 (5.9303e-08% change) linmin: converged after 4 iterations. - iteration 17: trace = 5.096544273707479 (1.16765e-09% change) - linmin: converged after 3 iterations. - iteration 18: trace = 5.096544273672404 (6.88195e-10% change) - linmin: converged after 3 iterations. - iteration 19: trace = 5.096544273621841 (9.92106e-10% change) + iteration 15: trace = 5.096544273956442 (1.33644e-08% change) linmin: converged after 4 iterations. - iteration 20: trace = 5.096544273547271 (1.46316e-09% change) + iteration 16: trace = 5.096544273766987 (3.71733e-09% change) + linmin: converged after 4 iterations. + iteration 17: trace = 5.096544273707479 (1.16761e-09% change) + linmin: converged after 6 iterations. + iteration 18: trace = 5.096544273672399 (6.883e-10% change) linmin: converged after 3 iterations. - iteration 21: trace = 5.096544273463906 (1.6357e-09% change) - linmin: converged after 2 iterations. - iteration 22: trace = 5.096544273426192 (7.40006e-10% change) + iteration 19: trace = 5.096544273621832 (9.92175e-10% change) + linmin: converged after 7 iterations. + iteration 20: trace = 5.096544273547281 (1.46279e-09% change) + linmin: converged after 9 iterations. + iteration 21: trace = 5.096544273463903 (1.63597e-09% change) linmin: converged after 3 iterations. - iteration 23: trace = 5.096544273414489 (2.29619e-10% change) - linmin: converged after 4 iterations. - iteration 24: trace = 5.096544273410624 (7.58426e-11% change) + iteration 22: trace = 5.096544273426184 (7.40093e-10% change) + linmin: converged after 2 iterations. + iteration 23: trace = 5.09654427341449 (2.29445e-10% change) + linmin: converged after 8 iterations. + iteration 24: trace = 5.096544273410621 (7.59123e-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: 0.12992429733276367 +elapsed time for k point: 0.22960162162780762 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 5.010057945914742 (0.187174% change) + iteration 1: trace = 5.010057945910609 (0.187174% change) linmin: converged after 3 iterations. - iteration 2: trace = 5.007389306967913 (0.0532798% change) + iteration 2: trace = 5.00738930696214 (0.0532798% change) linmin: converged after 4 iterations. - iteration 3: trace = 5.006708599255741 (0.013595% change) + iteration 3: trace = 5.006708599252331 (0.013595% change) linmin: converged after 4 iterations. - iteration 4: trace = 5.006529313191145 (0.00358098% change) - linmin: converged after 6 iterations. - iteration 5: trace = 5.006460294301477 (0.00137859% change) + iteration 4: trace = 5.006529313190524 (0.00358098% change) + linmin: converged after 5 iterations. + iteration 5: trace = 5.006460294301308 (0.00137859% change) linmin: converged after 3 iterations. - iteration 6: trace = 5.006443503180282 (0.00033539% change) + iteration 6: trace = 5.00644350318022 (0.00033539% change) linmin: converged after 3 iterations. - iteration 7: trace = 5.006439503863562 (7.98834e-05% change) - linmin: converged after 6 iterations. - iteration 8: trace = 5.0064376063451 (3.79016e-05% change) - linmin: converged after 5 iterations. - iteration 9: trace = 5.006436969310708 (1.27243e-05% change) + iteration 7: trace = 5.006439503863528 (7.98834e-05% change) linmin: converged after 4 iterations. - iteration 10: trace = 5.006436638672488 (6.60426e-06% change) - linmin: converged after 26 iterations. - iteration 11: trace = 5.00643653913881 (1.98811e-06% change) - linmin: converged after 3 iterations. - iteration 12: trace = 5.006436508297353 (6.16036e-07% change) + iteration 8: trace = 5.00643760634509 (3.79016e-05% change) + linmin: converged after 4 iterations. + iteration 9: trace = 5.006436969310697 (1.27243e-05% change) + linmin: converged after 4 iterations. + iteration 10: trace = 5.006436638672485 (6.60426e-06% change) + linmin: converged after 4 iterations. + iteration 11: trace = 5.006436539138803 (1.98811e-06% change) + linmin: converged after 4 iterations. + iteration 12: trace = 5.006436508297348 (6.16036e-07% change) linmin: converged after 2 iterations. - iteration 13: trace = 5.006436499318632 (1.79344e-07% change) - linmin: converged after 3 iterations. - iteration 14: trace = 5.00643649721473 (4.20239e-08% change) + iteration 13: trace = 5.00643649931863 (1.79343e-07% change) linmin: converged after 4 iterations. - iteration 15: trace = 5.006436496812787 (8.02851e-09% change) + iteration 14: trace = 5.006436497214728 (4.20239e-08% change) linmin: converged after 4 iterations. - iteration 16: trace = 5.006436496713432 (1.98455e-09% change) - linmin: converged after 6 iterations. - iteration 17: trace = 5.006436496673632 (7.9498e-10% change) + iteration 15: trace = 5.006436496812785 (8.02853e-09% change) + linmin: converged after 7 iterations. + iteration 16: trace = 5.00643649671343 (1.98453e-09% change) + linmin: converged after 11 iterations. + iteration 17: trace = 5.006436496673627 (7.95033e-10% change) linmin: converged after 3 iterations. - iteration 18: trace = 5.006436496632919 (8.13217e-10% change) + iteration 18: trace = 5.006436496632916 (8.13182e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 2 iterations. - iteration 19: trace = 5.006436496522664 (2.20226e-09% change) - linmin: converged after 8 iterations. - iteration 20: trace = 5.006436496410078 (2.24882e-09% change) - linmin: converged after 6 iterations. - iteration 21: trace = 5.006436496357244 (1.05533e-09% change) - linmin: converged after 7 iterations. - iteration 22: trace = 5.006436496344437 (2.55821e-10% change) - linmin: converged after 9 iterations. - iteration 23: trace = 5.006436496341392 (6.08152e-11% change) + iteration 19: trace = 5.00643649652267 (2.20209e-09% change) + linmin: converged after 2 iterations. + iteration 20: trace = 5.00643649641007 (2.2491e-09% change) + linmin: converged after 4 iterations. + iteration 21: trace = 5.006436496357247 (1.05511e-09% change) + linmin: converged after 3 iterations. + iteration 22: trace = 5.006436496344438 (2.55839e-10% change) + linmin: converged after 24 iterations. + iteration 23: trace = 5.00643649634139 (6.08862e-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: 0.6357300281524658 +elapsed time for k point: 0.22066855430603027 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 4.978993750423244 (0.165173% change) + iteration 1: trace = 4.978993750422823 (0.165173% change) linmin: converged after 4 iterations. - iteration 2: trace = 4.976790350141795 (0.0442637% change) + iteration 2: trace = 4.976790350142004 (0.0442637% change) linmin: converged after 4 iterations. - iteration 3: trace = 4.976199668874641 (0.0118694% change) + iteration 3: trace = 4.976199668874768 (0.0118694% change) linmin: converged after 4 iterations. - iteration 4: trace = 4.976051201931488 (0.00298359% change) + iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 4 iterations. - iteration 5: trace = 4.975999205362177 (0.00104494% change) + iteration 5: trace = 4.975999205362134 (0.00104494% change) linmin: converged after 3 iterations. - iteration 6: trace = 4.975987153191589 (0.000242206% change) + iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. - iteration 7: trace = 4.975985115125758 (4.0958e-05% change) + iteration 7: trace = 4.975985115125742 (4.0958e-05% change) linmin: converged after 4 iterations. - iteration 8: trace = 4.975984462449293 (1.31165e-05% change) + iteration 8: trace = 4.97598446244929 (1.31165e-05% change) linmin: converged after 2 iterations. - iteration 9: trace = 4.975984347964265 (2.30075e-06% change) + iteration 9: trace = 4.975984347964269 (2.30075e-06% change) linmin: converged after 2 iterations. - iteration 10: trace = 4.975984301211394 (9.3957e-07% change) + iteration 10: trace = 4.975984301211391 (9.3957e-07% change) linmin: converged after 2 iterations. - iteration 11: trace = 4.97598428170535 (3.92004e-07% change) + iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 2 iterations. - iteration 12: trace = 4.975984271802613 (1.99011e-07% change) + iteration 12: trace = 4.975984271802616 (1.9901e-07% change) + linmin: converged after 2 iterations. + iteration 13: trace = 4.975984267495484 (8.65584e-08% change) linmin: converged after 2 iterations. - iteration 13: trace = 4.975984267495485 (8.65583e-08% change) + iteration 14: trace = 4.975984266162573 (2.67869e-08% change) linmin: converged after 2 iterations. - iteration 14: trace = 4.975984266162572 (2.67869e-08% change) + iteration 15: trace = 4.975984265893701 (5.40339e-09% change) linmin: converged after 2 iterations. - iteration 15: trace = 4.975984265893695 (5.40348e-09% change) + iteration 16: trace = 4.975984265819598 (1.48922e-09% change) linmin: converged after 3 iterations. - iteration 16: trace = 4.975984265819601 (1.48904e-09% change) - linmin: converged after 4 iterations. - iteration 17: trace = 4.975984265774338 (9.09618e-10% change) + iteration 17: trace = 4.975984265774336 (9.096e-10% change) linmin: converged after 2 iterations. - iteration 18: trace = 4.975984265706848 (1.35631e-09% change) + iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. - iteration 19: trace = 4.975984265533273 (3.48825e-09% change) - linmin: converged after 3 iterations. - iteration 20: trace = 4.975984265426868 (2.13836e-09% change) + iteration 19: trace = 4.975984265533272 (3.48827e-09% change) linmin: converged after 4 iterations. - iteration 21: trace = 4.975984265393329 (6.74025e-10% change) + iteration 20: trace = 4.975984265426865 (2.13842e-09% change) linmin: converged after 2 iterations. - iteration 22: trace = 4.975984265384501 (1.77422e-10% change) - linmin: converged after 4 iterations. - iteration 23: trace = 4.975984265381785 (5.45832e-11% change) + iteration 21: trace = 4.97598426539333 (6.73936e-10% change) + linmin: converged after 2 iterations. + iteration 22: trace = 4.975984265384498 (1.77493e-10% change) + linmin: converged after 2 iterations. + iteration 23: trace = 4.975984265381786 (5.44939e-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: 0.10496044158935547 +elapsed time for k point: 0.22089004516601562 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 5.042733647627904 (0.320838% change) - linmin: converged after 4 iterations. - iteration 2: trace = 5.038219694841117 (0.0895541% change) + iteration 1: trace = 5.042733647627902 (0.320838% change) linmin: converged after 4 iterations. - iteration 3: trace = 5.03694279621369 (0.0253475% change) + iteration 2: trace = 5.038219694841115 (0.0895541% change) linmin: converged after 4 iterations. - iteration 4: trace = 5.036564344352592 (0.00751381% change) + iteration 3: trace = 5.036942796213691 (0.0253475% change) linmin: converged after 4 iterations. - iteration 5: trace = 5.03642296255062 (0.00280715% change) + iteration 4: trace = 5.036564344352591 (0.00751381% change) linmin: converged after 4 iterations. - iteration 6: trace = 5.036388281602309 (0.000688605% change) + iteration 5: trace = 5.036422962550623 (0.00280715% change) + linmin: converged after 5 iterations. + iteration 6: trace = 5.036388281602311 (0.000688605% change) linmin: converged after 4 iterations. - iteration 7: trace = 5.036381725959926 (0.000130166% change) + iteration 7: trace = 5.036381725959927 (0.000130166% change) linmin: converged after 5 iterations. - iteration 8: trace = 5.036379322251288 (4.77269e-05% change) - linmin: converged after 3 iterations. - iteration 9: trace = 5.036378780323873 (1.07603e-05% change) - linmin: converged after 3 iterations. - iteration 10: trace = 5.036378561422618 (4.3464e-06% change) + iteration 8: trace = 5.036379322251285 (4.77269e-05% change) + linmin: converged after 5 iterations. + iteration 9: trace = 5.036378780323868 (1.07603e-05% change) + linmin: converged after 4 iterations. + iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 2 iterations. - iteration 11: trace = 5.036378497300825 (1.27317e-06% change) + iteration 11: trace = 5.036378497300827 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106176 (2.61987e-07% change) - linmin: converged after 3 iterations. - iteration 13: trace = 5.036378480911196 (6.3438e-08% change) - linmin: converged after 4 iterations. - iteration 14: trace = 5.036378480128373 (1.55434e-08% change) - linmin: converged after 2 iterations. - iteration 15: trace = 5.036378479954637 (3.44962e-09% change) + linmin: converged after 8 iterations. + iteration 13: trace = 5.036378480911199 (6.3438e-08% change) linmin: converged after 4 iterations. - iteration 16: trace = 5.036378479909362 (8.98957e-10% change) - linmin: converged after 3 iterations. - iteration 17: trace = 5.036378479898016 (2.25273e-10% change) + iteration 14: trace = 5.036378480128374 (1.55434e-08% change) linmin: converged after 2 iterations. - iteration 18: trace = 5.036378479895264 (5.46517e-11% change) + iteration 15: trace = 5.036378479954636 (3.44965e-09% change) + linmin: converged after 6 iterations. + iteration 16: trace = 5.036378479909359 (8.98993e-10% change) + linmin: converged after 9 iterations. + iteration 17: trace = 5.036378479898018 (2.25185e-10% change) + linmin: converged after 14 iterations. + iteration 18: trace = 5.036378479895263 (5.47046e-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: 0.08344101905822754 +elapsed time for k point: 0.1745166778564453 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 5.21913235216542 (0.375945% change) + iteration 1: trace = 5.219132352165317 (0.375945% change) linmin: converged after 5 iterations. - iteration 2: trace = 5.211330254329284 (0.149602% change) - linmin: converged after 4 iterations. - iteration 3: trace = 5.208582459524632 (0.0527412% change) + iteration 2: trace = 5.211330254329347 (0.149602% change) linmin: converged after 4 iterations. - iteration 4: trace = 5.207407191119655 (0.0225666% change) + iteration 3: trace = 5.208582459524667 (0.0527412% change) linmin: converged after 4 iterations. - iteration 5: trace = 5.206822251347329 (0.0112335% change) + iteration 4: trace = 5.207407191119651 (0.0225666% change) linmin: converged after 4 iterations. - iteration 6: trace = 5.206658183445599 (0.00315107% change) + iteration 5: trace = 5.206822251347323 (0.0112335% change) linmin: converged after 4 iterations. - iteration 7: trace = 5.20660483148777 (0.00102469% change) + iteration 6: trace = 5.206658183445594 (0.00315107% change) linmin: converged after 4 iterations. - iteration 8: trace = 5.206579319181523 (0.00049% change) + iteration 7: trace = 5.206604831487765 (0.00102469% change) linmin: converged after 5 iterations. - iteration 9: trace = 5.206571394211567 (0.000152211% change) + iteration 8: trace = 5.206579319181518 (0.00049% change) + linmin: converged after 3 iterations. + iteration 9: trace = 5.206571394211569 (0.000152211% change) linmin: converged after 5 iterations. - iteration 10: trace = 5.206567821670578 (6.8616e-05% change) + iteration 10: trace = 5.206567821670576 (6.8616e-05% change) linmin: converged after 3 iterations. - iteration 11: trace = 5.206566741448367 (2.07473e-05% change) + iteration 11: trace = 5.206566741448364 (2.07473e-05% change) + linmin: converged after 2 iterations. + iteration 12: trace = 5.206566435491538 (5.87636e-06% change) + linmin: converged after 19 iterations. + iteration 13: trace = 5.206566333737289 (1.95434e-06% change) linmin: converged after 3 iterations. - iteration 12: trace = 5.206566435491533 (5.87636e-06% change) + iteration 14: trace = 5.206566313192089 (3.94602e-07% change) linmin: converged after 3 iterations. - iteration 13: trace = 5.206566333737291 (1.95434e-06% change) - linmin: converged after 4 iterations. - iteration 14: trace = 5.206566313192129 (3.94601e-07% change) - linmin: converged after 6 iterations. - iteration 15: trace = 5.206566308082148 (9.81449e-08% change) - linmin: converged after 7 iterations. - iteration 16: trace = 5.206566306507293 (3.02475e-08% change) - linmin: converged after 2 iterations. - iteration 17: trace = 5.206566306040203 (8.97118e-09% change) - linmin: converged after 4 iterations. - iteration 18: trace = 5.206566305927629 (2.16214e-09% change) + iteration 15: trace = 5.20656630808213 (9.81445e-08% change) + linmin: converged after 23 iterations. + iteration 16: trace = 5.20656630650728 (3.02474e-08% change) linmin: converged after 3 iterations. - iteration 19: trace = 5.206566305900051 (5.29693e-10% change) - linmin: converged after 7 iterations. - iteration 20: trace = 5.206566305893741 (1.21186e-10% change) - linmin: converged after 4 iterations. - iteration 21: trace = 5.206566305891689 (3.94059e-11% change) + iteration 17: trace = 5.206566306040195 (8.97108e-09% change) + linmin: converged after 3 iterations. + iteration 18: trace = 5.206566305927625 (2.16209e-09% change) + linmin: converged after 6 iterations. + iteration 19: trace = 5.206566305900044 (5.29727e-10% change) + linmin: converged after 6 iterations. + iteration 20: trace = 5.206566305893732 (1.21237e-10% change) + linmin: converged after 9 iterations. + iteration 21: trace = 5.206566305891691 (3.92012e-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: 0.102142333984375 +elapsed time for k point: 0.202545166015625 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 5.46825575630033 (0.622033% change) + iteration 1: trace = 5.468255756276163 (0.622033% change) linmin: converged after 5 iterations. - iteration 2: trace = 5.443223812749441 (0.458819% change) + iteration 2: trace = 5.443223812723232 (0.458819% change) linmin: converged after 4 iterations. - iteration 3: trace = 5.431408622421222 (0.217298% change) + iteration 3: trace = 5.431408622402185 (0.217298% change) linmin: converged after 4 iterations. - iteration 4: trace = 5.424242356553044 (0.132028% change) + iteration 4: trace = 5.424242356546639 (0.132028% change) linmin: converged after 5 iterations. - iteration 5: trace = 5.419937630971099 (0.0793924% change) + iteration 5: trace = 5.419937630968926 (0.0793924% change) linmin: converged after 4 iterations. - iteration 6: trace = 5.41853899085542 (0.0258088% change) + iteration 6: trace = 5.418538990853956 (0.0258088% change) linmin: converged after 4 iterations. - iteration 7: trace = 5.417857723333911 (0.0125737% change) + iteration 7: trace = 5.417857723332919 (0.0125737% change) linmin: converged after 3 iterations. - iteration 8: trace = 5.417473338575123 (0.00709503% change) + iteration 8: trace = 5.417473338574712 (0.00709503% change) + linmin: converged after 4 iterations. + iteration 9: trace = 5.417269129397847 (0.00376953% change) linmin: converged after 3 iterations. - iteration 9: trace = 5.417269129397945 (0.00376953% change) + iteration 10: trace = 5.417145557811442 (0.00228109% change) linmin: converged after 3 iterations. - iteration 10: trace = 5.417145557811467 (0.00228109% change) + iteration 11: trace = 5.417106189895425 (0.000726731% change) linmin: converged after 3 iterations. - iteration 11: trace = 5.417106189895422 (0.000726731% change) + iteration 12: trace = 5.417094578169094 (0.000214353% change) linmin: converged after 3 iterations. - iteration 12: trace = 5.417094578169104 (0.000214353% change) - linmin: converged after 4 iterations. - iteration 13: trace = 5.417090464907 (7.59312e-05% change) + iteration 13: trace = 5.417090464906998 (7.59312e-05% change) linmin: converged after 5 iterations. - iteration 14: trace = 5.41708942174581 (1.92569e-05% change) + iteration 14: trace = 5.417089421745804 (1.92569e-05% change) linmin: converged after 5 iterations. - iteration 15: trace = 5.417088991729022 (7.93815e-06% change) - linmin: converged after 2 iterations. - iteration 16: trace = 5.41708885820765 (2.46482e-06% change) - linmin: converged after 4 iterations. - iteration 17: trace = 5.417088812132395 (8.50554e-07% change) - linmin: converged after 4 iterations. - iteration 18: trace = 5.417088788744948 (4.31735e-07% change) + iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 3 iterations. - iteration 19: trace = 5.417088776389877 (2.28076e-07% change) - linmin: converged after 2 iterations. - iteration 20: trace = 5.417088770680255 (1.054e-07% change) + iteration 16: trace = 5.417088858207656 (2.46482e-06% change) + linmin: converged after 13 iterations. + iteration 17: trace = 5.417088812132391 (8.50554e-07% change) + linmin: converged after 11 iterations. + iteration 18: trace = 5.417088788744923 (4.31735e-07% change) linmin: converged after 3 iterations. - iteration 21: trace = 5.417088768321157 (4.35492e-08% change) + iteration 19: trace = 5.417088776389817 (2.28076e-07% change) linmin: converged after 4 iterations. - iteration 22: trace = 5.417088767370204 (1.75547e-08% change) - linmin: converged after 22 iterations. - iteration 23: trace = 5.417088766928408 (8.1556e-09% change) + iteration 20: trace = 5.417088770680238 (1.05399e-07% change) linmin: converged after 3 iterations. - iteration 24: trace = 5.417088766681352 (4.56067e-09% change) - linmin: converged after 4 iterations. - iteration 25: trace = 5.417088766554595 (2.33994e-09% change) - linmin: converged after 6 iterations. - iteration 26: trace = 5.417088766462988 (1.69109e-09% change) - linmin: converged after 11 iterations. - iteration 27: trace = 5.417088766423701 (7.25238e-10% change) + iteration 21: trace = 5.417088768321151 (4.3549e-08% change) + linmin: converged after 3 iterations. + iteration 22: trace = 5.417088767370207 (1.75545e-08% change) + linmin: converged after 7 iterations. + iteration 23: trace = 5.41708876692841 (8.15561e-09% change) linmin: converged after 2 iterations. - iteration 28: trace = 5.417088766412553 (2.05801e-10% change) + iteration 24: trace = 5.417088766681356 (4.56064e-09% change) linmin: converged after 3 iterations. - iteration 29: trace = 5.417088766409226 (6.14189e-11% change) + iteration 25: trace = 5.417088766554597 (2.33998e-09% change) + linmin: converged after 6 iterations. + iteration 26: trace = 5.417088766462991 (1.69105e-09% change) + linmin: converged after 6 iterations. + iteration 27: trace = 5.417088766423705 (7.25238e-10% change) + linmin: converged after 6 iterations. + iteration 28: trace = 5.417088766412556 (2.05801e-10% change) + linmin: converged after 5 iterations. + iteration 29: trace = 5.417088766409222 (6.15501e-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: 0.1382906436920166 +elapsed time for k point: 0.27675867080688477 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 5.60020317899795 (1.22609% change) - linmin: converged after 7 iterations. - iteration 2: trace = 5.549498902382915 (0.909518% change) + iteration 1: trace = 5.600203178965626 (1.22609% change) + linmin: converged after 8 iterations. + iteration 2: trace = 5.549498902375312 (0.909518% change) linmin: converged after 5 iterations. - iteration 3: trace = 5.534363640711076 (0.273104% change) + iteration 3: trace = 5.534363640712937 (0.273104% change) linmin: converged after 4 iterations. - iteration 4: trace = 5.527272903157912 (0.128204% change) + iteration 4: trace = 5.527272903158819 (0.128204% change) linmin: converged after 4 iterations. - iteration 5: trace = 5.524129966091524 (0.0568785% change) + iteration 5: trace = 5.524129966091276 (0.0568785% change) linmin: converged after 3 iterations. - iteration 6: trace = 5.523244061860534 (0.0160383% change) + iteration 6: trace = 5.523244061860269 (0.0160383% change) linmin: converged after 3 iterations. - iteration 7: trace = 5.522921055216154 (0.0058483% change) + iteration 7: trace = 5.522921055215961 (0.0058483% change) linmin: converged after 3 iterations. - iteration 8: trace = 5.522756882379673 (0.00297262% change) - linmin: converged after 4 iterations. - iteration 9: trace = 5.522649699667845 (0.00194077% change) + iteration 8: trace = 5.522756882379525 (0.00297262% change) + linmin: converged after 5 iterations. + iteration 9: trace = 5.522649699667727 (0.00194077% change) linmin: converged after 3 iterations. - iteration 10: trace = 5.522540696465976 (0.00197377% change) + iteration 10: trace = 5.522540696465873 (0.00197377% change) linmin: converged after 3 iterations. - iteration 11: trace = 5.522446530191286 (0.00170514% change) + iteration 11: trace = 5.5224465301912 (0.00170514% change) linmin: converged after 5 iterations. - iteration 12: trace = 5.522358366920831 (0.00159647% change) + iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 3 iterations. - iteration 13: trace = 5.52230078711596 (0.00104267% change) + iteration 13: trace = 5.522300787115986 (0.00104267% change) linmin: converged after 3 iterations. - iteration 14: trace = 5.52227964046168 (0.000382933% change) + iteration 14: trace = 5.522279640461685 (0.000382933% change) linmin: converged after 3 iterations. - iteration 15: trace = 5.522271218167392 (0.000152515% change) + iteration 15: trace = 5.522271218167394 (0.000152515% change) linmin: converged after 3 iterations. - iteration 16: trace = 5.522268619549666 (4.70571e-05% change) - linmin: converged after 5 iterations. - iteration 17: trace = 5.522267958291788 (1.19744e-05% change) - linmin: converged after 2 iterations. - iteration 18: trace = 5.522267758808284 (3.61235e-06% change) - linmin: converged after 4 iterations. - iteration 19: trace = 5.522267691563215 (1.21771e-06% change) - linmin: converged after 14 iterations. - iteration 20: trace = 5.522267667644054 (4.3314e-07% change) + iteration 16: trace = 5.522268619549664 (4.70571e-05% change) linmin: converged after 4 iterations. - iteration 21: trace = 5.522267656937737 (1.93875e-07% change) + iteration 17: trace = 5.522267958291784 (1.19744e-05% change) + linmin: converged after 2 iterations. + iteration 18: trace = 5.522267758808077 (3.61235e-06% change) linmin: converged after 4 iterations. - iteration 22: trace = 5.522267653032055 (7.07261e-08% change) + iteration 19: trace = 5.522267691563138 (1.21771e-06% change) + linmin: converged after 2 iterations. + iteration 20: trace = 5.522267667643979 (4.3314e-07% change) + linmin: converged after 6 iterations. + iteration 21: trace = 5.522267656937712 (1.93874e-07% change) linmin: converged after 4 iterations. - iteration 23: trace = 5.522267650435015 (4.70285e-08% change) + iteration 22: trace = 5.522267653032011 (7.07264e-08% change) + linmin: converged after 3 iterations. + iteration 23: trace = 5.522267650434996 (4.70281e-08% change) linmin: converged after 7 iterations. - iteration 24: trace = 5.522267648929249 (2.72672e-08% change) + iteration 24: trace = 5.522267648929222 (2.72673e-08% change) linmin: converged after 6 iterations. - iteration 25: trace = 5.522267648122283 (1.46129e-08% change) - linmin: converged after 5 iterations. - iteration 26: trace = 5.522267647457973 (1.20297e-08% change) - linmin: converged after 3 iterations. - iteration 27: trace = 5.522267646822531 (1.15069e-08% change) - linmin: converged after 15 iterations. - iteration 28: trace = 5.522267646290373 (9.63657e-09% change) - linmin: converged after 5 iterations. - iteration 29: trace = 5.522267645965348 (5.88572e-09% change) - linmin: converged after 13 iterations. - iteration 30: trace = 5.522267645803391 (2.93279e-09% change) - linmin: converged after 15 iterations. - iteration 31: trace = 5.522267645716786 (1.56829e-09% change) + iteration 25: trace = 5.522267648122265 (1.46128e-08% change) linmin: converged after 4 iterations. - iteration 32: trace = 5.522267645679258 (6.7958e-10% change) + iteration 26: trace = 5.522267647457959 (1.20296e-08% change) + linmin: converged after 5 iterations. + iteration 27: trace = 5.522267646822536 (1.15065e-08% change) linmin: converged after 4 iterations. - iteration 33: trace = 5.522267645667595 (2.11194e-10% change) + iteration 28: trace = 5.52226764629037 (9.63674e-09% change) + linmin: converged after 6 iterations. + iteration 29: trace = 5.522267645965355 (5.88553e-09% change) + linmin: converged after 21 iterations. + iteration 30: trace = 5.522267645803386 (2.93302e-09% change) + linmin: converged after 9 iterations. + iteration 31: trace = 5.522267645716786 (1.5682e-09% change) + linmin: converged after 5 iterations. + iteration 32: trace = 5.52226764567925 (6.79724e-10% change) + linmin: converged after 17 iterations. + iteration 33: trace = 5.522267645667593 (2.11081e-10% change) linmin: converged after 4 iterations. - iteration 34: trace = 5.52226764566474 (5.17087e-11% change) + iteration 34: trace = 5.522267645664736 (5.17409e-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: 0.1677837371826172 +elapsed time for k point: 0.3202242851257324 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. - iteration 1: trace = 5.623415343686307 (0.88056% change) + iteration 1: trace = 5.623415343687239 (0.88056% change) linmin: converged after 5 iterations. - iteration 2: trace = 5.591482468799462 (0.569472% change) + iteration 2: trace = 5.591482468799134 (0.569472% change) linmin: converged after 5 iterations. - iteration 3: trace = 5.580951640943164 (0.188514% change) + iteration 3: trace = 5.580951640941547 (0.188514% change) linmin: converged after 5 iterations. - iteration 4: trace = 5.575083172746369 (0.105207% change) + iteration 4: trace = 5.575083172743771 (0.105207% change) linmin: converged after 5 iterations. - iteration 5: trace = 5.571618736264186 (0.0621607% change) + iteration 5: trace = 5.5716187362637 (0.0621607% change) linmin: converged after 4 iterations. - iteration 6: trace = 5.57032410776794 (0.0232388% change) + iteration 6: trace = 5.57032410776755 (0.0232388% change) linmin: converged after 4 iterations. - iteration 7: trace = 5.569686885897471 (0.0114402% change) + iteration 7: trace = 5.569686885897012 (0.0114402% change) linmin: converged after 4 iterations. - iteration 8: trace = 5.569460656418762 (0.00406188% change) + iteration 8: trace = 5.569460656418335 (0.00406188% change) linmin: converged after 4 iterations. - iteration 9: trace = 5.569345938949337 (0.00205978% change) + iteration 9: trace = 5.569345938948888 (0.00205978% change) linmin: converged after 4 iterations. - iteration 10: trace = 5.569289951399822 (0.00100529% change) + iteration 10: trace = 5.569289951399389 (0.00100529% change) + linmin: converged after 5 iterations. + iteration 11: trace = 5.569256880777009 (0.000593805% change) linmin: converged after 3 iterations. - iteration 11: trace = 5.569256880777472 (0.000593805% change) - linmin: converged after 4 iterations. - iteration 12: trace = 5.569207664429753 (0.000883719% change) + iteration 12: trace = 5.569207664429193 (0.000883719% change) linmin: converged after 3 iterations. - iteration 13: trace = 5.569133502531272 (0.00133165% change) + iteration 13: trace = 5.569133502530552 (0.00133165% change) large trace change predicted (0.00839774%) - linmin: converged after 5 iterations. - iteration 14: trace = 5.568684283168604 (0.00806656% change) + linmin: converged after 6 iterations. + iteration 14: trace = 5.568684283166318 (0.00806656% change) near maximum in trace - linmin: converged after 11 iterations. - iteration 15: trace = 5.566399673126921 (0.0410344% change) + linmin: converged after 8 iterations. + iteration 15: trace = 5.566399673126494 (0.0410344% change) + linmin: converged after 4 iterations. + iteration 16: trace = 5.565541201649319 (0.0154236% change) + linmin: converged after 5 iterations. + iteration 17: trace = 5.564709388852071 (0.0149469% change) linmin: converged after 5 iterations. - iteration 16: trace = 5.565541201650213 (0.0154236% change) + iteration 18: trace = 5.563783784857455 (0.0166348% change) linmin: converged after 5 iterations. - iteration 17: trace = 5.564709388853324 (0.0149469% change) + iteration 19: trace = 5.562668008472645 (0.0200563% change) linmin: converged after 6 iterations. - iteration 18: trace = 5.563783784859192 (0.0166348% change) - linmin: converged after 7 iterations. - iteration 19: trace = 5.5626680084752 (0.0200563% change) + iteration 20: trace = 5.56131863739102 (0.0242606% change) linmin: converged after 6 iterations. - iteration 20: trace = 5.561318637394661 (0.0242606% change) + iteration 21: trace = 5.559813630789442 (0.0270657% change) + linmin: converged after 4 iterations. + iteration 22: trace = 5.55831461823554 (0.0269652% change) linmin: converged after 5 iterations. - iteration 21: trace = 5.55981363079408 (0.0270657% change) + iteration 23: trace = 5.556960244594976 (0.0243696% change) + linmin: converged after 7 iterations. + iteration 24: trace = 5.555789586707922 (0.0210687% change) linmin: converged after 5 iterations. - iteration 22: trace = 5.558314618240821 (0.0269652% change) - linmin: converged after 8 iterations. - iteration 23: trace = 5.556960244600509 (0.0243696% change) - linmin: converged after 6 iterations. - iteration 24: trace = 5.55578958671355 (0.0210687% change) - linmin: converged after 9 iterations. - iteration 25: trace = 5.554798721130324 (0.0178364% change) + iteration 25: trace = 5.554798720819041 (0.0178364% change) linmin: converged after 4 iterations. - iteration 26: trace = 5.553994114223145 (0.0144859% change) + iteration 26: trace = 5.553994114030578 (0.0144859% change) linmin: converged after 4 iterations. - iteration 27: trace = 5.553376035983722 (0.0111292% change) + iteration 27: trace = 5.553376035796295 (0.0111292% change) linmin: converged after 4 iterations. - iteration 28: trace = 5.552913676991474 (0.00832607% change) + iteration 28: trace = 5.552913676811989 (0.00832607% change) linmin: converged after 4 iterations. - iteration 29: trace = 5.552555838260211 (0.00644437% change) + iteration 29: trace = 5.552555838089953 (0.00644437% change) linmin: converged after 4 iterations. - iteration 30: trace = 5.552254970078684 (0.0054187% change) + iteration 30: trace = 5.552254969915809 (0.0054187% change) linmin: converged after 4 iterations. - iteration 31: trace = 5.551980060993108 (0.00495143% change) + iteration 31: trace = 5.551980060835623 (0.00495143% change) linmin: converged after 4 iterations. - iteration 32: trace = 5.551718956996828 (0.00470301% change) + iteration 32: trace = 5.551718956844521 (0.00470301% change) linmin: converged after 4 iterations. - iteration 33: trace = 5.551473590461667 (0.00441975% change) + iteration 33: trace = 5.551473590315489 (0.00441975% change) linmin: converged after 4 iterations. - iteration 34: trace = 5.551249526796 (0.00403619% change) + iteration 34: trace = 5.551249526656298 (0.00403619% change) linmin: converged after 4 iterations. - iteration 35: trace = 5.551047677411523 (0.00363617% change) + iteration 35: trace = 5.551047677277628 (0.00363617% change) linmin: converged after 3 iterations. - iteration 36: trace = 5.550864325175693 (0.00330307% change) + iteration 36: trace = 5.550864325046835 (0.00330307% change) linmin: converged after 4 iterations. - iteration 37: trace = 5.550695189065287 (0.00304707% change) - linmin: converged after 3 iterations. - iteration 38: trace = 5.550537717934131 (0.002837% change) + iteration 37: trace = 5.550695188941215 (0.00304707% change) + linmin: converged after 4 iterations. + iteration 38: trace = 5.550537717815017 (0.002837% change) linmin: converged after 3 iterations. - iteration 39: trace = 5.550390744999075 (0.00264794% change) + iteration 39: trace = 5.550390744884922 (0.00264794% change) linmin: converged after 3 iterations. - iteration 40: trace = 5.550253430552557 (0.00247399% change) + iteration 40: trace = 5.550253430443 (0.00247399% change) linmin: converged after 3 iterations. - iteration 41: trace = 5.55012490352458 (0.00231572% change) + iteration 41: trace = 5.550124903419123 (0.00231572% change) linmin: converged after 3 iterations. - iteration 42: trace = 5.550004421832142 (0.00217082% change) + iteration 42: trace = 5.550004421730387 (0.00217082% change) linmin: converged after 3 iterations. - iteration 43: trace = 5.549891461691001 (0.00203534% change) + iteration 43: trace = 5.549891461592817 (0.00203534% change) linmin: converged after 3 iterations. - iteration 44: trace = 5.549785756727974 (0.00190465% change) + iteration 44: trace = 5.549785756633441 (0.00190465% change) linmin: converged after 3 iterations. - iteration 45: trace = 5.54968747733447 (0.00177088% change) + iteration 45: trace = 5.54968747724379 (0.00177088% change) linmin: converged after 3 iterations. - iteration 46: trace = 5.549597231291263 (0.00162616% change) + iteration 46: trace = 5.549597231204658 (0.00162616% change) linmin: converged after 3 iterations. - iteration 47: trace = 5.54951543773785 (0.00147388% change) + iteration 47: trace = 5.549515437655207 (0.00147388% change) linmin: converged after 3 iterations. - iteration 48: trace = 5.549441430721565 (0.00133359% change) + iteration 48: trace = 5.54944143064245 (0.00133359% change) linmin: converged after 3 iterations. - iteration 49: trace = 5.549373300341694 (0.00122771% change) + iteration 49: trace = 5.549373300265469 (0.00122771% change) linmin: converged after 3 iterations. - iteration 50: trace = 5.549308831709661 (0.00116173% change) + iteration 50: trace = 5.549308831635857 (0.00116173% change) linmin: converged after 3 iterations. - iteration 51: trace = 5.549246789444709 (0.00111802% change) + iteration 51: trace = 5.549246789373296 (0.00111802% change) linmin: converged after 3 iterations. - iteration 52: trace = 5.549187392887808 (0.00107036% change) + iteration 52: trace = 5.549187392818978 (0.00107036% change) linmin: converged after 3 iterations. - iteration 53: trace = 5.549131424460697 (0.00100859% change) + iteration 53: trace = 5.549131424394591 (0.00100859% change) linmin: converged after 3 iterations. - iteration 54: trace = 5.54907895412175 (0.000945564% change) + iteration 54: trace = 5.549078954058159 (0.000945564% change) linmin: converged after 3 iterations. - iteration 55: trace = 5.54902921441063 (0.000896364% change) + iteration 55: trace = 5.549029214349327 (0.000896364% change) linmin: converged after 3 iterations. - iteration 56: trace = 5.548981603427197 (0.000858009% change) + iteration 56: trace = 5.548981603368159 (0.000858009% change) linmin: converged after 3 iterations. - iteration 57: trace = 5.548936441461874 (0.000813882% change) + iteration 57: trace = 5.548936441405298 (0.000813882% change) linmin: converged after 3 iterations. - iteration 58: trace = 5.548894438500469 (0.000756958% change) + iteration 58: trace = 5.548894438446435 (0.000756958% change) linmin: converged after 3 iterations. - iteration 59: trace = 5.548855472337361 (0.000702235% change) + iteration 59: trace = 5.548855472285536 (0.000702235% change) linmin: converged after 3 iterations. - iteration 60: trace = 5.548818214314467 (0.000671456% change) + iteration 60: trace = 5.548818214264243 (0.000671456% change) linmin: converged after 3 iterations. - iteration 61: trace = 5.548780940484159 (0.000671746% change) + iteration 61: trace = 5.54878094043504 (0.000671746% change) linmin: converged after 3 iterations. - iteration 62: trace = 5.548742719118106 (0.000688827% change) + iteration 62: trace = 5.548742719070007 (0.000688827% change) linmin: converged after 3 iterations. - iteration 63: trace = 5.548704070098671 (0.000696539% change) + iteration 63: trace = 5.548704070052051 (0.000696539% change) linmin: converged after 3 iterations. - iteration 64: trace = 5.548666460556174 (0.00067781% change) + iteration 64: trace = 5.548666460511527 (0.00067781% change) linmin: converged after 3 iterations. - iteration 65: trace = 5.548631157919806 (0.000636238% change) + iteration 65: trace = 5.548631157877429 (0.000636238% change) linmin: converged after 3 iterations. - iteration 66: trace = 5.548598782838766 (0.00058348% change) + iteration 66: trace = 5.548598782798809 (0.00058348% change) linmin: converged after 3 iterations. - iteration 67: trace = 5.548569723868797 (0.000523719% change) + iteration 67: trace = 5.548569723831407 (0.000523719% change) linmin: converged after 3 iterations. - iteration 68: trace = 5.548544403341404 (0.000456344% change) + iteration 68: trace = 5.548544403306618 (0.000456344% change) linmin: converged after 3 iterations. - iteration 69: trace = 5.54852291968404 (0.000387195% change) + iteration 69: trace = 5.548522919651652 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) + linmin: converged after 5 iterations. + iteration 70: trace = 5.548329976716079 (0.00347744% change) + linmin: converged after 5 iterations. + iteration 71: trace = 5.548232222535244 (0.00176188% change) linmin: converged after 4 iterations. - iteration 70: trace = 5.548329976730844 (0.00347744% change) - linmin: converged after 9 iterations. - iteration 71: trace = 5.548232222546434 (0.00176188% change) - linmin: converged after 4 iterations. - iteration 72: trace = 5.548180081091572 (0.000939789% change) - linmin: converged after 4 iterations. - iteration 73: trace = 5.548158373791829 (0.000391252% change) - linmin: converged after 4 iterations. - iteration 74: trace = 5.548148375777504 (0.000180204% change) + iteration 72: trace = 5.548180081084018 (0.000939789% change) linmin: converged after 4 iterations. - iteration 75: trace = 5.54814467347704 (6.67304e-05% change) + iteration 73: trace = 5.548158373788221 (0.000391252% change) + linmin: converged after 12 iterations. + iteration 74: trace = 5.548148375775397 (0.000180204% change) linmin: converged after 3 iterations. - iteration 76: trace = 5.548141864894533 (5.0622e-05% change) + iteration 75: trace = 5.548144673475279 (6.67304e-05% change) linmin: converged after 3 iterations. - iteration 77: trace = 5.548138837047524 (5.45741e-05% change) + iteration 76: trace = 5.548141864893026 (5.0622e-05% change) linmin: converged after 4 iterations. - iteration 78: trace = 5.548134589431539 (7.65593e-05% change) + iteration 77: trace = 5.548138837046131 (5.45741e-05% change) linmin: converged after 3 iterations. - iteration 79: trace = 5.548128746383019 (0.000105316% change) - linmin: converged after 5 iterations. - iteration 80: trace = 5.54812364932001 (9.187e-05% change) + iteration 78: trace = 5.548134589430347 (7.65593e-05% change) linmin: converged after 4 iterations. - iteration 81: trace = 5.548120939114146 (4.88491e-05% change) + iteration 79: trace = 5.548128746381997 (0.000105316% change) + linmin: converged after 3 iterations. + iteration 80: trace = 5.548123649318897 (9.187e-05% change) + linmin: converged after 3 iterations. + iteration 81: trace = 5.548120939113486 (4.88491e-05% change) + linmin: converged after 3 iterations. + iteration 82: trace = 5.548119009802684 (3.47741e-05% change) linmin: converged after 4 iterations. - iteration 82: trace = 5.54811900980283 (3.47741e-05% change) + iteration 83: trace = 5.54811826253431 (1.34689e-05% change) linmin: converged after 3 iterations. - iteration 83: trace = 5.548118262534356 (1.34689e-05% change) - linmin: converged after 8 iterations. - iteration 84: trace = 5.54811790788204 (6.3923e-06% change) - linmin: converged after 2 iterations. - iteration 85: trace = 5.548117802015843 (1.90815e-06% change) - linmin: converged after 2 iterations. - iteration 86: trace = 5.548117741686879 (1.08738e-06% change) - linmin: converged after 6 iterations. - iteration 87: trace = 5.548117729428165 (2.20953e-07% change) - linmin: converged after 25 iterations. - iteration 88: trace = 5.548117726415588 (5.42991e-08% change) + iteration 84: trace = 5.548117907882043 (6.3923e-06% change) linmin: converged after 3 iterations. - iteration 89: trace = 5.548117725588882 (1.49007e-08% change) + iteration 85: trace = 5.548117802015853 (1.90815e-06% change) + linmin: converged after 2 iterations. + iteration 86: trace = 5.548117741686889 (1.08738e-06% change) linmin: converged after 3 iterations. - iteration 90: trace = 5.548117725372836 (3.89404e-09% change) + iteration 87: trace = 5.548117729428171 (2.20953e-07% change) + linmin: converged after 15 iterations. + iteration 88: trace = 5.548117726415588 (5.42992e-08% change) linmin: converged after 3 iterations. - iteration 91: trace = 5.548117725334802 (6.85538e-10% change) + iteration 89: trace = 5.548117725588876 (1.49008e-08% change) + linmin: converged after 4 iterations. + iteration 90: trace = 5.548117725372838 (3.89389e-09% change) + linmin: converged after 7 iterations. + iteration 91: trace = 5.548117725334806 (6.8549e-10% change) linmin: converged after 5 iterations. - iteration 92: trace = 5.548117725327037 (1.39948e-10% change) - linmin: converged after 3 iterations. - iteration 93: trace = 5.548117725324983 (3.7028e-11% change) + iteration 92: trace = 5.548117725327035 (1.4006e-10% change) + linmin: converged after 2 iterations. + iteration 93: trace = 5.548117725324985 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.34999752044677734 -Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489816 at Vector3<0.5, 0.5, 0.0> -Band 2 range: 0.4415884497226696 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160893 at Vector3<0.5, 0.5, 0.0> -Band 3 range: 0.5931535863117838 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069748 at Vector3<0.0, 0.0, 0.0> -Band 4 range: 0.6791690130757017 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677106 at Vector3<0.3, 0.3, 0.0> -Band 5 range: 0.824181444350216 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855876 at Vector3<0.0, 0.0, 0.0> -Band 6 range: 0.8819770916660673 at Vector3<0.5, 0.5, 0.0> to 1.029159705064828 at Vector3<0.5, 0.0, 0.0> -Band 7 range: 0.8819818134421858 at Vector3<0.5, 0.5, 0.0> to 1.0860729323742886 at Vector3<0.5, 0.0, 0.0> -Band 8 range: 1.0878689635115086 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> -Gap from band 2 (0.5931405141160893) to band 3 (0.5931535863117838), 0.002203870977670652% -Gap from band 4 (0.8096891551677106) to band 5 (0.824181444350216), 1.7739824912427453% -Gap from band 7 (1.0860729323742886) to band 8 (1.0878689635115086), 0.16523267163846908% -total elapsed time for run: 3.829782009124756 +elapsed time for k point: 0.654747724533081 +Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489877 at Vector3<0.5, 0.5, 0.0> +Band 2 range: 0.4415884497226764 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160889 at Vector3<0.5, 0.5, 0.0> +Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> +Band 4 range: 0.6791690130757019 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677093 at Vector3<0.3, 0.3, 0.0> +Band 5 range: 0.8241814443502165 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855878 at Vector3<0.0, 0.0, 0.0> +Band 6 range: 0.8819770916660683 at Vector3<0.5, 0.5, 0.0> to 1.0291597050648278 at Vector3<0.5, 0.0, 0.0> +Band 7 range: 0.8819818134421857 at Vector3<0.5, 0.5, 0.0> to 1.0860729323744873 at Vector3<0.5, 0.0, 0.0> +Band 8 range: 1.0878689635115244 at Vector3<0.5, 0.0, 0.0> to 1.111917370755693 at Vector3<0.5, 0.5, 0.0> +Gap from band 2 (0.5931405141160889) to band 3 (0.5931535863117833), 0.002203870977633219% +Gap from band 4 (0.8096891551677093) to band 5 (0.8241814443502165), 1.77398249124295% +Gap from band 7 (1.0860729323744873) to band 8 (1.0878689635115244), 0.16523267162162025% +total elapsed time for run: 5.516339302062988 done epsilon: 1-12, mean 2.38229, harm. mean 1.1448, 14.5508% > 1, 12.5663% "fill" -.Outputting /tmp/meepGWbq13/test_subpixel_averaging-0-epsilon.h5... -/tmp/meepGWbq13/test_subpixel_averaging-0: 4.55s +.Outputting /tmp/meepGSue4y/test_subpixel_averaging-0-epsilon.h5... +/tmp/meepGSue4y/test_subpixel_averaging-0: 5.55s -/tmp/meepGWbq13/test_symmetry_overlap-0 +/tmp/meepGSue4y/test_symmetry_overlap-0 ======================== Initializing eigensolver data Computing 6 bands with 1e-12 tolerance @@ -89048,7 +89217,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.5> -elapsed time for initialization: 0.15627789497375488 +elapsed time for initialization: 0.17694354057312012 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... @@ -89109,8 +89278,8 @@ iteration 27: trace = 2.040338191456635 (3.16905e-11% change) Finished solving for bands 1 to 6 after 27 iterations. freqs:, 1, 0.5, 0.5, 0.5, 0.866025, 0.526821, 0.526823, 0.526827, 0.634476, 0.634485, 0.634491 -elapsed time for k point: 4.520479917526245 -total elapsed time for run: 4.676864147186279 +elapsed time for k point: 9.841960906982422 +total elapsed time for run: 10.019037961959839 done Initializing eigensolver data Computing 6 bands with 1e-12 tolerance @@ -89137,7 +89306,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.15862679481506348 +elapsed time for initialization: 0.19102907180786133 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... @@ -89306,8 +89475,8 @@ iteration 80: trace = 2.470089841242355 (9.58263e-12% change) Finished solving for bands 2 to 6 after 80 iterations. zevenfreqs:, 1, 0, 0, 0, 0, 0, 0.548551, 0.707219, 0.707226, 0.764464, 0.764493 -elapsed time for k point: 9.615667343139648 -total elapsed time for run: 9.77442216873169 +elapsed time for k point: 21.566792726516724 +total elapsed time for run: 21.757978200912476 done Initializing eigensolver data Computing 6 bands with 1e-12 tolerance @@ -89334,7 +89503,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.4518308639526367 +elapsed time for initialization: 0.17438673973083496 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... @@ -89403,12 +89572,12 @@ iteration 31: trace = 2.293372879533615 (4.12841e-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, 0.764184, 0.779416 -.elapsed time for k point: 4.310437917709351 -total elapsed time for run: 4.762413263320923 +.elapsed time for k point: 7.250802993774414 +total elapsed time for run: 7.425350189208984 done -/tmp/meepGWbq13/test_symmetry_overlap-0: 21.17s +/tmp/meepGSue4y/test_symmetry_overlap-0: 42.17s -/tmp/meepGWbq13/test_tri_holes-0 +/tmp/meepGSue4y/test_tri_holes-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -89451,7 +89620,7 @@ 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: 0.005903005599975586 +elapsed time for initialization: 0.008681297302246094 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... @@ -89573,7 +89742,7 @@ iteration 56: trace = 4.451949513355896 (5.71377e-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: 0.32936620712280273 +elapsed time for k point: 0.42917871475219727 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -89682,7 +89851,7 @@ iteration 51: trace = 4.458889461747217 (4.21492e-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: 0.3500487804412842 +elapsed time for k point: 0.5578873157501221 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -89743,7 +89912,7 @@ iteration 28: trace = 4.481554639580323 (5.7553e-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: 0.21523141860961914 +elapsed time for k point: 0.3048055171966553 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -89802,7 +89971,7 @@ iteration 27: trace = 4.534239367259124 (5.23202e-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: 0.2027287483215332 +elapsed time for k point: 0.2993004322052002 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -89867,7 +90036,7 @@ iteration 30: trace = 4.607273350205861 (7.40073e-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: 0.22028517723083496 +elapsed time for k point: 0.3270559310913086 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -89942,7 +90111,7 @@ iteration 35: trace = 4.654583747911486 (5.96497e-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: 0.4160614013671875 +elapsed time for k point: 0.3772120475769043 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -90003,7 +90172,7 @@ iteration 28: trace = 4.657802402861529 (2.98042e-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: 0.20742321014404297 +elapsed time for k point: 0.3010721206665039 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -90070,7 +90239,7 @@ iteration 31: trace = 4.667096098888678 (7.49046e-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: 0.23366165161132812 +elapsed time for k point: 0.34465980529785156 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -90137,7 +90306,7 @@ iteration 31: trace = 4.681614604980842 (5.62319e-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: 0.16483068466186523 +elapsed time for k point: 0.3347585201263428 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -90206,7 +90375,7 @@ iteration 32: trace = 4.699960544782293 (8.86485e-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: 0.19805455207824707 +elapsed time for k point: 0.3437175750732422 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -90321,7 +90490,7 @@ iteration 54: trace = 4.719164720216042 (5.79677e-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: 0.40170955657958984 +elapsed time for k point: 0.5742981433868408 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -90384,7 +90553,7 @@ iteration 29: trace = 4.653956804049425 (5.66615e-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: 0.21683216094970703 +elapsed time for k point: 0.317455530166626 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -90441,7 +90610,7 @@ iteration 26: trace = 4.565737534032815 (6.60823e-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: 0.1948716640472412 +elapsed time for k point: 0.27898430824279785 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. @@ -90496,7 +90665,7 @@ iteration 25: trace = 4.495299578884352 (5.15485e-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: 0.4880082607269287 +elapsed time for k point: 0.269207239151001 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -90564,7 +90733,7 @@ iteration 31: trace = 4.46256992066141 (8.68759e-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: 0.2300124168395996 +elapsed time for k point: 0.331157922744751 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. @@ -90793,7 +90962,7 @@ iteration 109: trace = 4.451949513352748 (8.8759e-11% change) Finished solving for bands 2 to 8 after 109 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.656836, 0.715623, 0.716068, 0.738377, 0.825979, 0.827163, 1.04116 -elapsed time for k point: 0.5631358623504639 +elapsed time for k point: 0.896949052810669 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2993049473117485 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.49243428236220677 at Vector3<0.0, 0.5, 0.0> to 0.6568362683499384 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.5269710506448813 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7156232200212513 at Vector3<0.0, 0.0, 0.0> @@ -90805,7 +90974,7 @@ Gap from band 1 (0.2993049473117485) to band 2 (0.49243428236220677), 48.78609719263008% Gap from band 5 (0.7988168792802606) to band 6 (0.8259787164701545), 3.3434159054756925% Gap from band 7 (0.9834563303529592) to band 8 (0.9984200611839892), 1.510056923320589% -total elapsed time for run: 4.639745712280273 +total elapsed time for run: 6.298327922821045 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -90847,7 +91016,7 @@ 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: 0.005509614944458008 +elapsed time for initialization: 0.010019302368164062 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... @@ -90916,7 +91085,7 @@ iteration 31: trace = 2.862490688618994 (4.5751e-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: 0.11264538764953613 +elapsed time for k point: 0.2670128345489502 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -90961,7 +91130,7 @@ iteration 20: trace = 2.835301328478711 (6.86346e-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: 0.09194612503051758 +elapsed time for k point: 0.21172809600830078 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. @@ -90998,7 +91167,7 @@ iteration 16: trace = 2.795630871597677 (2.51461e-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: 0.07451987266540527 +elapsed time for k point: 0.1750180721282959 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. @@ -91031,7 +91200,7 @@ iteration 14: trace = 2.771565390381674 (1.59109e-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: 0.0656280517578125 +elapsed time for k point: 0.15409541130065918 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -91062,7 +91231,7 @@ iteration 13: trace = 2.764617094107786 (7.09517e-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: 0.06185483932495117 +elapsed time for k point: 0.14280486106872559 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -91097,7 +91266,7 @@ iteration 15: trace = 2.765514654374657 (5.36822e-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: 0.07284283638000488 +elapsed time for k point: 0.16490554809570312 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -91130,7 +91299,7 @@ iteration 14: trace = 2.765656097342635 (9.75962e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.247714, 0.293902, 0.474174, 0.530395, 0.610517, 0.697722, 0.778384, 0.803945 -elapsed time for k point: 0.06766462326049805 +elapsed time for k point: 0.1524333953857422 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -91165,7 +91334,7 @@ iteration 15: trace = 2.76644039305337 (2.33728e-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: 0.07376813888549805 +elapsed time for k point: 0.16472244262695312 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -91200,7 +91369,7 @@ iteration 15: trace = 2.768905996249792 (5.59421e-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: 0.40892529487609863 +elapsed time for k point: 0.1654367446899414 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -91237,7 +91406,7 @@ iteration 16: trace = 2.774529530826203 (2.40889e-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: 0.07921457290649414 +elapsed time for k point: 0.17548632621765137 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -91299,7 +91468,7 @@ iteration 27: trace = 2.784404130698573 (2.0064e-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: 0.13013887405395508 +elapsed time for k point: 0.2947063446044922 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -91334,7 +91503,7 @@ iteration 15: trace = 2.766275694185349 (1.16389e-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: 0.07412552833557129 +elapsed time for k point: 0.16439127922058105 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 7 iterations. @@ -91365,7 +91534,7 @@ iteration 13: trace = 2.765766574968634 (1.11112e-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: 0.06061387062072754 +elapsed time for k point: 0.14693379402160645 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -91396,7 +91565,7 @@ iteration 13: trace = 2.786825446005424 (1.53776e-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: 0.06062674522399902 +elapsed time for k point: 0.14518165588378906 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 8 iterations. @@ -91437,7 +91606,7 @@ iteration 18: trace = 2.829270279885345 (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: 0.0829458236694336 +elapsed time for k point: 0.20024991035461426 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -91505,7 +91674,7 @@ iteration 31: trace = 2.862490688618617 (3.02059e-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: 0.11018967628479004 +.elapsed time for k point: 0.2610287666320801 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2800915681739995 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.2801552391378441 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.3985126081046686 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.43908172284486047 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.49288810189980703 at Vector3<0.0, 0.0, 0.0> @@ -91520,11 +91689,11 @@ Gap from band 4 (0.5808701365268195) to band 5 (0.5810352468043719), 0.028420606345590967% Gap from band 5 (0.6824860801373002) to band 6 (0.6825317446715008), 0.006690686871730083% Gap from band 7 (0.7841042622393093) to band 8 (0.7980077872594111), 1.7575904341929585% -total elapsed time for run: 1.6343865394592285 +total elapsed time for run: 2.998255968093872 done -/tmp/meepGWbq13/test_tri_holes-0: 6.37s +/tmp/meepGSue4y/test_tri_holes-0: 9.30s -/tmp/meepGWbq13/test_tri_rods-0 +/tmp/meepGSue4y/test_tri_rods-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -91566,7 +91735,7 @@ 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: 0.39304494857788086 +elapsed time for initialization: 0.0072765350341796875 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... @@ -91621,7 +91790,7 @@ iteration 24: trace = 4.577894626572786 (4.46816e-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: 0.8778698444366455 +elapsed time for k point: 0.20389032363891602 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -91662,7 +91831,7 @@ iteration 18: trace = 4.546667003404457 (4.24489e-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: 0.16977977752685547 +elapsed time for k point: 0.19690346717834473 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -91697,7 +91866,7 @@ iteration 15: trace = 4.456771796562712 (4.07941e-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: 0.06950497627258301 +elapsed time for k point: 0.16692471504211426 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -91730,7 +91899,7 @@ iteration 14: trace = 4.364565233298257 (3.14404e-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: 0.06531381607055664 +elapsed time for k point: 0.15529394149780273 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -91761,7 +91930,7 @@ iteration 13: trace = 4.304069964437605 (7.18538e-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: 0.06064605712890625 +elapsed time for k point: 0.13942790031433105 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -91792,7 +91961,7 @@ iteration 13: trace = 4.283477065616431 (4.14492e-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: 0.06038355827331543 +elapsed time for k point: 0.14307117462158203 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -91821,7 +91990,7 @@ iteration 12: trace = 4.264474631199774 (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: 0.05585312843322754 +elapsed time for k point: 0.13466143608093262 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -91850,7 +92019,7 @@ iteration 12: trace = 4.228595652264469 (8.17059e-12% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.265671, 0.453801, 0.535912, 0.761319, 0.795166, 0.866056, 0.869135, 0.973413 -elapsed time for k point: 0.055971622467041016 +elapsed time for k point: 0.1359405517578125 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -91875,7 +92044,7 @@ iteration 10: trace = 4.196577821229713 (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: 0.04787302017211914 +elapsed time for k point: 0.11177754402160645 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -91900,7 +92069,7 @@ iteration 10: trace = 4.175651761333514 (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: 0.04752945899963379 +elapsed time for k point: 0.10975050926208496 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -91923,23 +92092,23 @@ iteration 9: trace = 4.168411689609144 (8.91074e-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: 0.04289817810058594 +elapsed time for k point: 0.09911108016967773 Fixing e-field (band 1) phase by -1 + 4.11972e-08i; max ampl. = 0.93911 -Outputting fields to /tmp/meepGWbq13/test_tri_rods-0-e.k11.b01.z.tm.h5... +Outputting fields to /tmp/meepGSue4y/test_tri_rods-0-e.k11.b01.z.tm.h5... Fixing e-field (band 2) phase by -4.11972e-08 + -1i; max ampl. = 1.08316 -Outputting fields to /tmp/meepGWbq13/test_tri_rods-0-e.k11.b02.z.tm.h5... +Outputting fields to /tmp/meepGSue4y/test_tri_rods-0-e.k11.b02.z.tm.h5... Fixing e-field (band 3) phase by 1 + -4.11972e-08i; max ampl. = 0.877953 -Outputting fields to /tmp/meepGWbq13/test_tri_rods-0-e.k11.b03.z.tm.h5... +Outputting fields to /tmp/meepGSue4y/test_tri_rods-0-e.k11.b03.z.tm.h5... Fixing e-field (band 4) phase by 1 + -4.11971e-08i; max ampl. = 1.24657 -Outputting fields to /tmp/meepGWbq13/test_tri_rods-0-e.k11.b04.z.tm.h5... +Outputting fields to /tmp/meepGSue4y/test_tri_rods-0-e.k11.b04.z.tm.h5... Fixing e-field (band 5) phase by 4.11971e-08 + 1i; max ampl. = 1.10168 -Outputting fields to /tmp/meepGWbq13/test_tri_rods-0-e.k11.b05.z.tm.h5... +Outputting fields to /tmp/meepGSue4y/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/meepGWbq13/test_tri_rods-0-e.k11.b06.z.tm.h5... +Outputting fields to /tmp/meepGSue4y/test_tri_rods-0-e.k11.b06.z.tm.h5... Fixing e-field (band 7) phase by -1 + 4.11972e-08i; max ampl. = 1.0881 -Outputting fields to /tmp/meepGWbq13/test_tri_rods-0-e.k11.b07.z.tm.h5... +Outputting fields to /tmp/meepGSue4y/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/meepGWbq13/test_tri_rods-0-e.k11.b08.z.tm.h5... +Outputting fields to /tmp/meepGSue4y/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. @@ -91966,7 +92135,7 @@ iteration 11: trace = 4.197854050309301 (1.33718e-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: 0.05196642875671387 +elapsed time for k point: 0.12491035461425781 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -91995,7 +92164,7 @@ iteration 12: trace = 4.283266488990683 (1.11767e-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: 0.05636262893676758 +elapsed time for k point: 0.13425779342651367 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -92026,7 +92195,7 @@ iteration 13: trace = 4.410102274545242 (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: 0.060532569885253906 +elapsed time for k point: 0.14217877388000488 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -92065,7 +92234,7 @@ iteration 17: trace = 4.534517622757207 (7.8407e-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: 0.0785374641418457 +elapsed time for k point: 0.18967199325561523 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. @@ -92102,7 +92271,7 @@ iteration 16: trace = 4.577894626572483 (2.55905e-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: 0.059113502502441406 +elapsed time for k point: 0.1368100643157959 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2746902258623629 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.44533108084715833 at Vector3<0.0, 0.5, 0.0> to 0.5605181423162844 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.49023891490276683 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.5605607947797752 at Vector3<0.0, 0.0, 0.0> @@ -92116,7 +92285,7 @@ Gap from band 4 (0.79071959744437) to band 5 (0.7908320763327578), 0.014223865113315824% Gap from band 5 (0.8374511167537574) to band 6 (0.8375948528443272), 0.017162047272568082% Gap from band 6 (0.8672009264903449) to band 7 (0.8691349955739198), 0.2227759109280675% -total elapsed time for run: 2.307978391647339 +total elapsed time for run: 2.3881475925445557 done Read lattice vectors Read Bloch wavevector (-0.333333, 0.333333, 0) @@ -92166,7 +92335,7 @@ 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: 0.003547191619873047 +elapsed time for initialization: 0.006374359130859375 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... @@ -92285,7 +92454,7 @@ iteration 56: trace = 6.2053376471259 (6.91324e-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: 0.21763253211975098 +elapsed time for k point: 0.4721989631652832 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -92352,7 +92521,7 @@ iteration 31: trace = 6.070460070673311 (7.67697e-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: 0.14953207969665527 +elapsed time for k point: 0.33518409729003906 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -92415,7 +92584,7 @@ iteration 29: trace = 5.856237734706172 (2.88009e-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: 0.13910722732543945 +elapsed time for k point: 0.3136131763458252 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -92470,7 +92639,7 @@ iteration 25: trace = 5.679316226598068 (4.88557e-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: 0.11808514595031738 +elapsed time for k point: 0.2727208137512207 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -92521,7 +92690,7 @@ iteration 23: trace = 5.567356944539215 (5.37148e-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: 0.11263871192932129 +elapsed time for k point: 0.2522561550140381 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -92570,7 +92739,7 @@ iteration 22: trace = 5.529271313719444 (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: 0.11023235321044922 +elapsed time for k point: 0.24140548706054688 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -92623,7 +92792,7 @@ iteration 24: trace = 5.532153606068912 (8.05471e-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: 0.11940193176269531 +elapsed time for k point: 0.2617332935333252 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -92676,7 +92845,7 @@ iteration 24: trace = 5.534695993739177 (6.49762e-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: 0.11732292175292969 +elapsed time for k point: 0.2631092071533203 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -92727,7 +92896,7 @@ iteration 23: trace = 5.527140023966949 (5.31415e-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: 0.1126561164855957 +elapsed time for k point: 0.25298070907592773 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -92776,7 +92945,7 @@ iteration 22: trace = 5.514581486526163 (5.58073e-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: 0.10862183570861816 +elapsed time for k point: 0.21726155281066895 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -92819,7 +92988,7 @@ iteration 19: trace = 5.508642232131618 (7.05397e-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: 0.09281134605407715 +elapsed time for k point: 0.18266820907592773 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -92866,7 +93035,7 @@ iteration 21: trace = 5.538947612933677 (6.50706e-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: 0.10042238235473633 +elapsed time for k point: 0.2006824016571045 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -92915,7 +93084,7 @@ iteration 22: trace = 5.636892705526576 (7.80736e-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: 0.1068270206451416 +elapsed time for k point: 0.21003127098083496 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -92974,7 +93143,7 @@ iteration 27: trace = 5.807436111839944 (8.67312e-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: 0.1265115737915039 +elapsed time for k point: 0.2551743984222412 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -93045,7 +93214,7 @@ iteration 33: trace = 6.039148745478514 (4.54594e-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: 0.15468120574951172 +elapsed time for k point: 0.3199307918548584 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 6 iterations. @@ -93120,7 +93289,7 @@ iteration 35: trace = 6.205337647122204 (8.29732e-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: 0.5636038780212402 +elapsed time for k point: 0.25524449348449707 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.491235811867578 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.4730722390280758 at Vector3<0.0, 0.5, 0.0> to 0.5631059378714031 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 3 range: 0.5631505198559041 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7939289395839753 at Vector3<0.0, 0.0, 0.0> @@ -93131,7 +93300,7 @@ Band 8 range: 1.1086626585374242 at Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> to 1.1168107191255332 at Vector3<0.0, 0.0, 0.0> Gap from band 2 (0.5631059378714031) to band 3 (0.5631505198559041), 0.007916844195689235% Gap from band 4 (0.8214230044191522) to band 5 (0.8651948144415262), 5.190483526605004% -total elapsed time for run: 2.455019950866699 +total elapsed time for run: 4.314388751983643 done epsilon: 1-12, mean 2.59614, harm. mean 1.17149, 17.2852% > 1, 14.5104% "fill" Read lattice vectors @@ -93141,9 +93310,9 @@ Input data is rank 2, size 32x32x1. Output data 96x83x1 real part range: 1 .. 12 -./tmp/meepGWbq13/test_tri_rods-0: 5.92s +./tmp/meepGSue4y/test_tri_rods-0: 6.74s -/tmp/meepGWbq13/test_triangular_lattice-0 +/tmp/meepGSue4y/test_triangular_lattice-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -93186,7 +93355,7 @@ 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: 0.003396749496459961 +elapsed time for initialization: 0.005388975143432617 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... @@ -93241,7 +93410,7 @@ iteration 24: trace = 4.577894626572786 (4.46816e-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: 0.09124016761779785 +elapsed time for k point: 0.17149853706359863 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -93282,7 +93451,7 @@ iteration 18: trace = 4.546667003404457 (4.24489e-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: 0.08454346656799316 +elapsed time for k point: 0.16829490661621094 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93317,7 +93486,7 @@ iteration 15: trace = 4.456771796562712 (4.07941e-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: 0.07127761840820312 +elapsed time for k point: 0.14174461364746094 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93350,7 +93519,7 @@ iteration 14: trace = 4.364565233298257 (3.14404e-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: 0.06692123413085938 +elapsed time for k point: 0.13431596755981445 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93381,7 +93550,7 @@ iteration 13: trace = 4.304069964437605 (7.18538e-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: 0.06256318092346191 +elapsed time for k point: 0.12773489952087402 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93412,7 +93581,7 @@ iteration 13: trace = 4.283477065616431 (4.14492e-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: 0.07139301300048828 +elapsed time for k point: 0.12915563583374023 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93441,7 +93610,7 @@ iteration 12: trace = 4.264474631199774 (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: 0.10124921798706055 +elapsed time for k point: 0.1231689453125 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93470,7 +93639,7 @@ iteration 12: trace = 4.228595652264469 (8.17059e-12% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.265671, 0.453801, 0.535912, 0.761319, 0.795166, 0.866056, 0.869135, 0.973413 -elapsed time for k point: 0.09668135643005371 +elapsed time for k point: 0.11878800392150879 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93495,7 +93664,7 @@ iteration 10: trace = 4.196577821229713 (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: 0.07826542854309082 +elapsed time for k point: 0.10205268859863281 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93520,7 +93689,7 @@ iteration 10: trace = 4.175651761333514 (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: 0.08076882362365723 +elapsed time for k point: 0.10320544242858887 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -93543,7 +93712,7 @@ iteration 9: trace = 4.168411689609144 (8.91074e-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: 0.07326412200927734 +elapsed time for k point: 0.0873253345489502 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93570,7 +93739,7 @@ iteration 11: trace = 4.197854050309302 (1.33718e-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: 0.08997273445129395 +elapsed time for k point: 0.10479283332824707 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93599,7 +93768,7 @@ iteration 12: trace = 4.283266488990683 (1.11767e-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: 0.10030531883239746 +elapsed time for k point: 0.11377549171447754 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -93630,7 +93799,7 @@ iteration 13: trace = 4.410102274545241 (2.51947e-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: 0.1049659252166748 +elapsed time for k point: 0.12253808975219727 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93669,7 +93838,7 @@ iteration 17: trace = 4.534517622757202 (7.86028e-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: 0.13578557968139648 +elapsed time for k point: 0.1585099697113037 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. @@ -93750,10 +93919,10 @@ AssertionError: -0.9945407488966614 != -0.9950905165813236 within 3 places (0.0005497676846621946 difference) ---------------------------------------------------------------------- -Ran 47 tests in 343.216s +Ran 47 tests in 887.668s FAILED (failures=4) -elapsed time for k point: 0.6601235866546631 +elapsed time for k point: 0.11333727836608887 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2746902258623629 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.44533108084715833 at Vector3<0.0, 0.5, 0.0> to 0.5605181423162844 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.49023891490276683 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.5605607947797748 at Vector3<0.0, 0.0, 0.0> @@ -93767,39 +93936,71 @@ Gap from band 4 (0.79071959744437) to band 5 (0.7908320763327578), 0.014223865113315824% Gap from band 5 (0.8374511167537574) to band 6 (0.8375948528443271), 0.01716204727255483% Gap from band 6 (0.8672009264903449) to band 7 (0.8691349955739198), 0.2227759109280675% -total elapsed time for run: 1.9744558334350586 +total elapsed time for run: 2.0271050930023193 done -/tmp/meepGWbq13/test_triangular_lattice-0: 2.00s +/tmp/meepGSue4y/test_triangular_lattice-0: 2.03s -/tmp/meepGWbq13/test_update_band_range_data-0 +/tmp/meepGSue4y/test_update_band_range_data-0 ======================== -/tmp/meepGWbq13/test_update_band_range_data-0: 0.01s +/tmp/meepGSue4y/test_update_band_range_data-0: 0.00s -Elapsed run time = 343.7139 s +Elapsed run time = 887.8030 s FAIL tests/test_mpb.py (exit status: 1) FAIL: tests/test_multilevel_atom ================================ -Matplotlib created a temporary cache directory at /tmp/matplotlib-jj6ika9n because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. +Matplotlib created a temporary cache directory at /tmp/matplotlib-kujgzp2h because the default path (/nonexistent/second-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. ----------- Initializing structure... -time for choose_chunkdivision = 5.89952e-05 s +time for choose_chunkdivision = 7.1999e-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 = 0.000120008 s +time for set_epsilon = 0.000201995 s multilevel atom susceptibility ----------- -Meep progress: 1883.45/7000.0 = 26.9% done in 4.0s, 10.9s to go -on time step 150676 (time=1883.45), 2.65474e-05 s/step -Meep progress: 3720.8/7000.0 = 53.2% done in 8.0s, 7.1s to go -on time step 297666 (time=3720.83), 2.72129e-05 s/step -Meep progress: 5606.512500000001/7000.0 = 80.1% done in 12.0s, 3.0s to go -on time step 448526 (time=5606.58), 2.65148e-05 s/step +Meep progress: 309.375/7000.0 = 4.4% done in 4.0s, 86.5s to go +on time step 24750 (time=309.375), 0.000161622 s/step +Meep progress: 618.3375000000001/7000.0 = 8.8% done in 8.0s, 82.6s to go +on time step 49467 (time=618.338), 0.000161833 s/step +Meep progress: 936.6375/7000.0 = 13.4% done in 12.0s, 77.7s to go +on time step 74931 (time=936.638), 0.000157086 s/step +Meep progress: 1298.5375000000001/7000.0 = 18.6% done in 16.0s, 70.3s to go +on time step 103884 (time=1298.55), 0.000138159 s/step +Meep progress: 1661.8125/7000.0 = 23.7% done in 20.0s, 64.2s to go +on time step 132946 (time=1661.83), 0.000137638 s/step +Meep progress: 2025.4/7000.0 = 28.9% done in 24.0s, 58.9s to go +on time step 162034 (time=2025.43), 0.000137516 s/step +Meep progress: 2389.025/7000.0 = 34.1% done in 28.0s, 54.0s to go +on time step 191124 (time=2389.05), 0.000137506 s/step +Meep progress: 2750.6125/7000.0 = 39.3% done in 32.0s, 49.4s to go +on time step 220051 (time=2750.64), 0.000138282 s/step +Meep progress: 3113.1375000000003/7000.0 = 44.5% done in 36.0s, 44.9s to go +on time step 249054 (time=3113.18), 0.000137919 s/step +Meep progress: 3480.8125/7000.0 = 49.7% done in 40.0s, 40.4s to go +on time step 278469 (time=3480.86), 0.000135989 s/step +Meep progress: 3849.1000000000004/7000.0 = 55.0% done in 44.0s, 36.0s to go +on time step 307932 (time=3849.15), 0.00013577 s/step +Meep progress: 4212.2625/7000.0 = 60.2% done in 48.0s, 31.8s to go +on time step 336987 (time=4212.34), 0.000137671 s/step +Meep progress: 4589.95/7000.0 = 65.6% done in 52.0s, 27.3s to go +on time step 367203 (time=4590.04), 0.000132382 s/step +Meep progress: 4975.475/7000.0 = 71.1% done in 56.0s, 22.8s to go +on time step 398046 (time=4975.58), 0.000129692 s/step +Meep progress: 5361.4375/7000.0 = 76.6% done in 60.0s, 18.3s to go +on time step 428924 (time=5361.55), 0.000129545 s/step +Meep progress: 5748.4875/7000.0 = 82.1% done in 64.0s, 13.9s to go +on time step 459888 (time=5748.6), 0.000129182 s/step +Meep progress: 6136.8/7000.0 = 87.7% done in 68.0s, 9.6s to go +on time step 490954 (time=6136.93), 0.000128762 s/step +Meep progress: 6523.387500000001/7000.0 = 93.2% done in 72.0s, 5.3s to go +on time step 521882 (time=6523.53), 0.000129335 s/step +Meep progress: 6910.2875/7000.0 = 98.7% done in 76.0s, 1.0s to go +on time step 552835 (time=6910.44), 0.000129232 s/step F ====================================================================== FAIL: test_multilevel_atom (__main__.TestMultiLevelAtom.test_multilevel_atom) @@ -93822,11 +94023,11 @@ AssertionError: 4.458595015523278 != -2.7110969214986387 within 7 places (7.169691937021916 difference) ---------------------------------------------------------------------- -Ran 1 test in 14.967s +Ran 1 test in 76.930s FAILED (failures=1) -Elapsed run time = 14.9696 s +Elapsed run time = 76.9335 s FAIL tests/test_multilevel_atom.py (exit status: 1) FAIL: tests/test_refl_angular @@ -93841,11 +94042,11 @@ FAIL: tests/test_ring ===================== -Matplotlib created a temporary cache directory at /tmp/matplotlib-o0uz79or because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. +Matplotlib created a temporary cache directory at /tmp/matplotlib-3u71h5rc because the default path (/nonexistent/second-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. ----------- Initializing structure... Halving computational cell along direction y -time for choose_chunkdivision = 0.000213052 s +time for choose_chunkdivision = 0.000373013 s Working in 2D dimensions. Computational cell is 16 x 16 x 0 with resolution 10 cylinder, center = (0,0,0) @@ -93854,10 +94055,12 @@ 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 = 0.0641839 s +time for set_epsilon = 0.106541 s ----------- -Meep: using output directory '/tmp/meephWmwup' -creating output file "/tmp/meephWmwup/test_ring-eps-000000.00.h5"... +Meep: using output directory '/tmp/meep4Nl56h' +creating output file "/tmp/meep4Nl56h/test_ring-eps-000000.00.h5"... +Meep progress: 332.6/400.0 = 83.2% done in 4.0s, 0.8s to go +on time step 6678 (time=333.9), 0.000599032 s/step F ====================================================================== FAIL: test_harminv (__main__.TestRing.test_harminv) @@ -93868,7 +94071,7 @@ AssertionError: 0.0034940920329178107 != 0.00341267634436 within 4 places (8.141568855781064e-05 difference) ---------------------------------------------------------------------- -Ran 1 test in 1.658s +Ran 1 test in 4.993s FAILED (failures=1) harminv0:, frequency, imag. freq., Q, |amp|, amplitude, error @@ -93877,7 +94080,7 @@ harminv0:, 0.1752466531330348, -4.875157487167941e-05, 1797.3435073052221, 0.007186041459138177, -0.0008190310310293238-0.007139214244065223i, 1.4536448405586033e-07+0.0i run 0 finished at t = 400.0 (8000 timesteps) -Elapsed run time = 1.6604 s +Elapsed run time = 4.9966 s FAIL tests/test_ring.py (exit status: 1) FAIL: tests/test_special_kz @@ -93915,7 +94118,7 @@ make[5]: Entering directory '/build/reproducible-path/meep-1.25.0/src' make[6]: Entering directory '/build/reproducible-path/meep-1.25.0/src' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/i386-linux-gnu' - /bin/bash ../libtool --mode=install /usr/bin/install -c libmeep.la '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/i386-linux-gnu' + /bin/sh ../libtool --mode=install /usr/bin/install -c libmeep.la '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/i386-linux-gnu' libtool: install: /usr/bin/install -c .libs/libmeep.so.30.0.0 /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/i386-linux-gnu/libmeep.so.30.0.0 libtool: install: (cd /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/i386-linux-gnu && { ln -s -f libmeep.so.30.0.0 libmeep.so.30 || { rm -f libmeep.so.30 && ln -s libmeep.so.30.0.0 libmeep.so.30; }; }) libtool: install: (cd /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/i386-linux-gnu && { ln -s -f libmeep.so.30.0.0 libmeep.so || { rm -f libmeep.so && ln -s libmeep.so.30.0.0 libmeep.so; }; }) @@ -93945,7 +94148,7 @@ make[4]: Entering directory '/build/reproducible-path/meep-1.25.0/scheme' make[5]: Entering directory '/build/reproducible-path/meep-1.25.0/scheme' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/bin' - /bin/bash ../libtool --mode=install /usr/bin/install -c meep '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/bin' + /bin/sh ../libtool --mode=install /usr/bin/install -c meep '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/bin' libtool: warning: '../src/libmeep.la' has not been installed in '/usr/lib/i386-linux-gnu' libtool: install: /usr/bin/install -c .libs/meep /build/reproducible-path/meep-1.25.0/debian/tmp/usr/bin/meep /usr/bin/mkdir -p '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/share/meep' @@ -93957,9 +94160,9 @@ make[3]: Entering directory '/build/reproducible-path/meep-1.25.0/libpympb' make[4]: Entering directory '/build/reproducible-path/meep-1.25.0/libpympb' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/i386-linux-gnu' - /bin/bash ../libtool --mode=install /usr/bin/install -c libpympb.la '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/i386-linux-gnu' + /bin/sh ../libtool --mode=install /usr/bin/install -c libpympb.la '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/i386-linux-gnu' libtool: warning: relinking 'libpympb.la' -libtool: install: (cd /build/reproducible-path/meep-1.25.0/libpympb; /bin/bash "/build/reproducible-path/meep-1.25.0/libtool" --tag CXX --mode=relink i686-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -version-info 30:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/i386-linux-gnu/hdf5/serial -o libpympb.la -rpath /usr/lib/i386-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/i686-linux-gnu/14 -L/usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu -L/usr/lib/gcc/i686-linux-gnu/14/../../../../lib -L/lib/i386-linux-gnu -L/lib/../lib -L/usr/lib/i386-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/i686-linux-gnu/14/../../.. -L/usr/lib/i386-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath -inst-prefix-dir /build/reproducible-path/meep-1.25.0/debian/tmp) +libtool: install: (cd /build/reproducible-path/meep-1.25.0/libpympb; /bin/sh "/build/reproducible-path/meep-1.25.0/libtool" --tag CXX --mode=relink i686-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -version-info 30:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/i386-linux-gnu/hdf5/serial -o libpympb.la -rpath /usr/lib/i386-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/i686-linux-gnu/14 -L/usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu -L/usr/lib/gcc/i686-linux-gnu/14/../../../../lib -L/lib/i386-linux-gnu -L/lib/../lib -L/usr/lib/i386-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/i686-linux-gnu/14/../../.. -L/usr/lib/i386-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath -inst-prefix-dir /build/reproducible-path/meep-1.25.0/debian/tmp) libtool: relink: i686-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu/crti.o /usr/lib/gcc/i686-linux-gnu/14/crtbeginS.o .libs/libpympb_la-pympb.o -L/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/i386-linux-gnu -L/usr/lib/i386-linux-gnu -lmeep -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/i686-linux-gnu/14 -L/usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu -L/usr/lib/gcc/i686-linux-gnu/14/../../../../lib -L/lib/i386-linux-gnu -L/lib/../lib -L/usr/lib/../lib -L/usr/lib/gcc/i686-linux-gnu/14/../../.. -L/usr/lib/i386-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lquadmath -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/i686-linux-gnu/14/crtendS.o /usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu/crtn.o -g -O2 -fstack-protector-strong -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/i386-linux-gnu/hdf5/serial -Wl,-soname -Wl,libpympb.so.30 -o .libs/libpympb.so.30.0.0 libtool: install: /usr/bin/install -c .libs/libpympb.so.30.0.0T /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/i386-linux-gnu/libpympb.so.30.0.0 libtool: install: (cd /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/i386-linux-gnu && { ln -s -f libpympb.so.30.0.0 libpympb.so.30 || { rm -f libpympb.so.30 && ln -s libpympb.so.30.0.0 libpympb.so.30; }; }) @@ -93979,9 +94182,9 @@ make[4]: Entering directory '/build/reproducible-path/meep-1.25.0/python' make[5]: Entering directory '/build/reproducible-path/meep-1.25.0/python' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep' - /bin/bash ../libtool --mode=install /usr/bin/install -c _meep.la '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep' + /bin/sh ../libtool --mode=install /usr/bin/install -c _meep.la '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep' libtool: warning: relinking '_meep.la' -libtool: install: (cd /build/reproducible-path/meep-1.25.0/python; /bin/bash "/build/reproducible-path/meep-1.25.0/libtool" --tag CXX --mode=relink i686-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -module -version-info 30:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/i386-linux-gnu/hdf5/serial -o _meep.la -rpath /usr/lib/python3.12/site-packages/meep _meep_la-meep-python.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/i686-linux-gnu/14 -L/usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu -L/usr/lib/gcc/i686-linux-gnu/14/../../../../lib -L/lib/i386-linux-gnu -L/lib/../lib -L/usr/lib/i386-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/i686-linux-gnu/14/../../.. -L/usr/lib/i386-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath -inst-prefix-dir /build/reproducible-path/meep-1.25.0/debian/tmp) +libtool: install: (cd /build/reproducible-path/meep-1.25.0/python; /bin/sh "/build/reproducible-path/meep-1.25.0/libtool" --tag CXX --mode=relink i686-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -module -version-info 30:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/i386-linux-gnu/hdf5/serial -o _meep.la -rpath /usr/lib/python3.12/site-packages/meep _meep_la-meep-python.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/i686-linux-gnu/14 -L/usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu -L/usr/lib/gcc/i686-linux-gnu/14/../../../../lib -L/lib/i386-linux-gnu -L/lib/../lib -L/usr/lib/i386-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/i686-linux-gnu/14/../../.. -L/usr/lib/i386-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath -inst-prefix-dir /build/reproducible-path/meep-1.25.0/debian/tmp) libtool: relink: i686-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu/crti.o /usr/lib/gcc/i686-linux-gnu/14/crtbeginS.o .libs/_meep_la-meep-python.o -L/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/i386-linux-gnu -L/usr/lib/i386-linux-gnu -lmeep -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/i686-linux-gnu/14 -L/usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu -L/usr/lib/gcc/i686-linux-gnu/14/../../../../lib -L/lib/i386-linux-gnu -L/lib/../lib -L/usr/lib/../lib -L/usr/lib/gcc/i686-linux-gnu/14/../../.. -L/usr/lib/i386-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lquadmath -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/i686-linux-gnu/14/crtendS.o /usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu/crtn.o -g -O2 -fstack-protector-strong -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/i386-linux-gnu/hdf5/serial -Wl,-soname -Wl,_meep.so.30 -o .libs/_meep.so.30.0.0 libtool: install: /usr/bin/install -c .libs/_meep.so.30.0.0T /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/_meep.so.30.0.0 libtool: install: (cd /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep && { ln -s -f _meep.so.30.0.0 _meep.so.30 || { rm -f _meep.so.30 && ln -s _meep.so.30.0.0 _meep.so.30; }; }) @@ -94004,9 +94207,9 @@ Byte-compiling python modules (optimized versions) ... __init__.pybinary_partition_utils.pychunk_balancer.pygeom.pysimulation.pysource.pytiming_measurements.pyvisualization.pymaterials.pyverbosity_mgr.py /usr/bin/mkdir -p '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/mpb' - /bin/bash ../libtool --mode=install /usr/bin/install -c _mpb.la '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/mpb' + /bin/sh ../libtool --mode=install /usr/bin/install -c _mpb.la '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/mpb' libtool: warning: relinking '_mpb.la' -libtool: install: (cd /build/reproducible-path/meep-1.25.0/python; /bin/bash "/build/reproducible-path/meep-1.25.0/libtool" --tag CXX --mode=relink i686-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -module -version-info 30:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/i386-linux-gnu/hdf5/serial -o _mpb.la -rpath /usr/lib/python3.12/site-packages/meep/mpb _mpb_la-mpb-python.lo ../libpympb/libpympb.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/i686-linux-gnu/14 -L/usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu -L/usr/lib/gcc/i686-linux-gnu/14/../../../../lib -L/lib/i386-linux-gnu -L/lib/../lib -L/usr/lib/i386-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/i686-linux-gnu/14/../../.. -L/usr/lib/i386-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath -inst-prefix-dir /build/reproducible-path/meep-1.25.0/debian/tmp) +libtool: install: (cd /build/reproducible-path/meep-1.25.0/python; /bin/sh "/build/reproducible-path/meep-1.25.0/libtool" --tag CXX --mode=relink i686-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -W -module -version-info 30:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/i386-linux-gnu/hdf5/serial -o _mpb.la -rpath /usr/lib/python3.12/site-packages/meep/mpb _mpb_la-mpb-python.lo ../libpympb/libpympb.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/i686-linux-gnu/14 -L/usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu -L/usr/lib/gcc/i686-linux-gnu/14/../../../../lib -L/lib/i386-linux-gnu -L/lib/../lib -L/usr/lib/i386-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/i686-linux-gnu/14/../../.. -L/usr/lib/i386-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath -inst-prefix-dir /build/reproducible-path/meep-1.25.0/debian/tmp) libtool: relink: i686-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu/crti.o /usr/lib/gcc/i686-linux-gnu/14/crtbeginS.o .libs/_mpb_la-mpb-python.o -L/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/i386-linux-gnu -L/usr/lib/i386-linux-gnu -lpympb -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/i686-linux-gnu/14 -L/usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu -L/usr/lib/gcc/i686-linux-gnu/14/../../../../lib -L/lib/i386-linux-gnu -L/lib/../lib -L/usr/lib/../lib -L/usr/lib/gcc/i686-linux-gnu/14/../../.. -L/usr/lib/i386-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lquadmath -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/i686-linux-gnu/14/crtendS.o /usr/lib/gcc/i686-linux-gnu/14/../../../i386-linux-gnu/crtn.o -g -O2 -fstack-protector-strong -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/i386-linux-gnu/hdf5/serial -Wl,-soname -Wl,_mpb.so.30 -o .libs/_mpb.so.30.0.0 libtool: install: /usr/bin/install -c .libs/_mpb.so.30.0.0T /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/mpb/_mpb.so.30.0.0 libtool: install: (cd /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/mpb && { ln -s -f _mpb.so.30.0.0 _mpb.so.30 || { rm -f _mpb.so.30 && ln -s _mpb.so.30.0.0 _mpb.so.30; }; }) @@ -94068,21 +94271,21 @@ dh_strip -a dh_makeshlibs -a dh_shlibdeps -a -dpkg-shlibdeps: warning: debian/python3-meep/usr/lib/python3/dist-packages/meep/_meep.so.30.0.0 contains an unresolvable reference to symbol PyExc_RuntimeError: it's probably a plugin +dpkg-shlibdeps: warning: debian/python3-meep/usr/lib/python3/dist-packages/meep/_meep.so.30.0.0 contains an unresolvable reference to symbol PyErr_GivenExceptionMatches: it's probably a plugin dpkg-shlibdeps: warning: 107 other similar warnings have been skipped (use -v to see them all) -dpkg-shlibdeps: warning: debian/python3-meep/usr/lib/python3/dist-packages/meep/mpb/_mpb.so.30.0.0 contains an unresolvable reference to symbol _Py_NoneStruct: it's probably a plugin +dpkg-shlibdeps: warning: debian/python3-meep/usr/lib/python3/dist-packages/meep/mpb/_mpb.so.30.0.0 contains an unresolvable reference to symbol PyDict_GetItem: it's probably a plugin dpkg-shlibdeps: warning: 97 other similar warnings have been skipped (use -v to see them all) dh_installdeb dh_gencontrol dh_md5sums dh_builddeb -dpkg-deb: building package 'meep-dbgsym' in '../meep-dbgsym_1.25.0-4_i386.deb'. dpkg-deb: building package 'libmeep30-dbgsym' in '../libmeep30-dbgsym_1.25.0-4_i386.deb'. +dpkg-deb: building package 'meep' in '../meep_1.25.0-4_i386.deb'. +dpkg-deb: building package 'meep-dbgsym' in '../meep-dbgsym_1.25.0-4_i386.deb'. dpkg-deb: building package 'libmeep-dev' in '../libmeep-dev_1.25.0-4_i386.deb'. -dpkg-deb: building package 'python3-meep-dbgsym' in '../python3-meep-dbgsym_1.25.0-4_i386.deb'. -dpkg-deb: building package 'libmeep30' in '../libmeep30_1.25.0-4_i386.deb'. dpkg-deb: building package 'python3-meep' in '../python3-meep_1.25.0-4_i386.deb'. -dpkg-deb: building package 'meep' in '../meep_1.25.0-4_i386.deb'. +dpkg-deb: building package 'libmeep30' in '../libmeep30_1.25.0-4_i386.deb'. +dpkg-deb: building package 'python3-meep-dbgsym' in '../python3-meep-dbgsym_1.25.0-4_i386.deb'. dpkg-genbuildinfo --build=binary -O../meep_1.25.0-4_i386.buildinfo dpkg-genchanges --build=binary -O../meep_1.25.0-4_i386.changes dpkg-genchanges: info: binary-only upload (no source code included) @@ -94090,12 +94293,14 @@ 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/14487/tmp/hooks/B01_cleanup starting +I: user script /srv/workspace/pbuilder/14487/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/28423 and its subdirectories -I: Current time: Sun Jan 4 07:36:00 -12 2026 -I: pbuilder-time-stamp: 1767555360 +I: removing directory /srv/workspace/pbuilder/14487 and its subdirectories +I: Current time: Tue Dec 3 04:56:28 +14 2024 +I: pbuilder-time-stamp: 1733151388