Diff of the two buildlogs: -- --- b1/build.log 2025-03-24 02:28:46.531691504 +0000 +++ b2/build.log 2025-03-24 07:11:04.572126310 +0000 @@ -1,6 +1,6 @@ I: pbuilder: network access will be disabled during build -I: Current time: Sun Mar 23 12:34:37 -12 2025 -I: pbuilder-time-stamp: 1742776477 +I: Current time: Sun Apr 26 22:51:49 +14 2026 +I: pbuilder-time-stamp: 1777193509 I: Building the build Environment I: extracting base tarball [/var/cache/pbuilder/unstable-reproducible-base.tgz] I: copying local configuration @@ -25,52 +25,84 @@ dpkg-source: info: applying i386-fix.patch I: Not using root during the build. I: Installing the build-deps -I: user script /srv/workspace/pbuilder/1714060/tmp/hooks/D02_print_environment starting +I: user script /srv/workspace/pbuilder/4019952/tmp/hooks/D01_modify_environment starting +debug: Running on ionos5-amd64. +I: Changing host+domainname to test build reproducibility +I: Adding a custom variable just for the fun of it... +I: Changing /bin/sh to bash +'/bin/sh' -> '/bin/bash' +lrwxrwxrwx 1 root root 9 Apr 26 08:52 /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/4019952/tmp/hooks/D01_modify_environment finished +I: user script /srv/workspace/pbuilder/4019952/tmp/hooks/D02_print_environment starting I: set - BUILDDIR='/build/reproducible-path' - BUILDUSERGECOS='first user,first room,first work-phone,first home-phone,first other' - BUILDUSERNAME='pbuilder1' - BUILD_ARCH='amd64' - DEBIAN_FRONTEND='noninteractive' - DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=20 ' - DISTRIBUTION='unstable' - HOME='/root' - HOST_ARCH='amd64' + BASH=/bin/sh + BASHOPTS=checkwinsize:cmdhist:complete_fullquote:extquote:force_fignore:globasciiranges:globskipdots:hostcomplete:interactive_comments:patsub_replacement:progcomp:promptvars:sourcepath + BASH_ALIASES=() + BASH_ARGC=() + BASH_ARGV=() + BASH_CMDS=() + BASH_LINENO=([0]="12" [1]="0") + BASH_LOADABLES_PATH=/usr/local/lib/bash:/usr/lib/bash:/opt/local/lib/bash:/usr/pkg/lib/bash:/opt/pkg/lib/bash:. + BASH_SOURCE=([0]="/tmp/hooks/D02_print_environment" [1]="/tmp/hooks/D02_print_environment") + BASH_VERSINFO=([0]="5" [1]="2" [2]="37" [3]="1" [4]="release" [5]="x86_64-pc-linux-gnu") + BASH_VERSION='5.2.37(1)-release' + BUILDDIR=/build/reproducible-path + BUILDUSERGECOS='second user,second room,second work-phone,second home-phone,second other' + BUILDUSERNAME=pbuilder2 + BUILD_ARCH=amd64 + DEBIAN_FRONTEND=noninteractive + DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=42 ' + DIRSTACK=() + DISTRIBUTION=unstable + EUID=0 + FUNCNAME=([0]="Echo" [1]="main") + GROUPS=() + HOME=/root + HOSTNAME=i-capture-the-hostname + HOSTTYPE=x86_64 + HOST_ARCH=amd64 IFS=' ' - INVOCATION_ID='4c8679d618ba43e585e07109d140638f' - LANG='C' - LANGUAGE='en_US:en' - LC_ALL='C' - MAIL='/var/mail/root' - OPTIND='1' - PATH='/usr/sbin:/usr/bin:/sbin:/bin:/usr/games' - PBCURRENTCOMMANDLINEOPERATION='build' - PBUILDER_OPERATION='build' - PBUILDER_PKGDATADIR='/usr/share/pbuilder' - PBUILDER_PKGLIBDIR='/usr/lib/pbuilder' - PBUILDER_SYSCONFDIR='/etc' - PPID='1714060' - PS1='# ' - PS2='> ' + INVOCATION_ID=2f95594e25eb4cd7b31937efd76b2389 + LANG=C + LANGUAGE=et_EE:et + LC_ALL=C + MACHTYPE=x86_64-pc-linux-gnu + MAIL=/var/mail/root + OPTERR=1 + OPTIND=1 + OSTYPE=linux-gnu + PATH=/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path + PBCURRENTCOMMANDLINEOPERATION=build + PBUILDER_OPERATION=build + PBUILDER_PKGDATADIR=/usr/share/pbuilder + PBUILDER_PKGLIBDIR=/usr/lib/pbuilder + PBUILDER_SYSCONFDIR=/etc + PIPESTATUS=([0]="0") + POSIXLY_CORRECT=y + PPID=4019952 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.mdYaW2HY/pbuilderrc_ug0X --distribution unstable --hookdir /etc/pbuilder/first-build-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/unstable-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.mdYaW2HY/b1 --logfile b1/build.log meep_1.29.0-2.dsc' - SUDO_GID='111' - SUDO_UID='106' - SUDO_USER='jenkins' - TERM='unknown' - TZ='/usr/share/zoneinfo/Etc/GMT+12' - USER='root' - _='/usr/bin/systemd-run' - http_proxy='http://46.16.76.132:3128' + 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.mdYaW2HY/pbuilderrc_70ux --distribution unstable --hookdir /etc/pbuilder/rebuild-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/unstable-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.mdYaW2HY/b2 --logfile b2/build.log meep_1.29.0-2.dsc' + SUDO_GID=110 + SUDO_UID=105 + SUDO_USER=jenkins + TERM=unknown + TZ=/usr/share/zoneinfo/Etc/GMT-14 + UID=0 + USER=root + _='I: set' + http_proxy=http://213.165.73.152:3128 I: uname -a - Linux ionos11-amd64 6.1.0-32-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.1.129-1 (2025-03-06) x86_64 GNU/Linux + Linux i-capture-the-hostname 6.12.12+bpo-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.12.12-1~bpo12+1 (2025-02-23) x86_64 GNU/Linux I: ls -l /bin - lrwxrwxrwx 1 root root 7 Mar 4 11:20 /bin -> usr/bin -I: user script /srv/workspace/pbuilder/1714060/tmp/hooks/D02_print_environment finished + lrwxrwxrwx 1 root root 7 Mar 4 2025 /bin -> usr/bin +I: user script /srv/workspace/pbuilder/4019952/tmp/hooks/D02_print_environment finished -> Attempting to satisfy build-dependencies -> Creating pbuilder-satisfydepends-dummy package Package: pbuilder-satisfydepends-dummy @@ -431,7 +463,7 @@ Get: 277 http://deb.debian.org/debian unstable/main amd64 python3-matplotlib amd64 3.8.3-7+b1 [23.0 MB] Get: 278 http://deb.debian.org/debian unstable/main amd64 quilt all 0.68-1 [437 kB] Get: 279 http://deb.debian.org/debian unstable/main amd64 swig amd64 4.3.0-1 [1503 kB] -Fetched 240 MB in 16s (15.1 MB/s) +Fetched 240 MB in 11s (22.0 MB/s) Preconfiguring packages ... Selecting previously unselected package libpython3.13-minimal:amd64. (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 19807 files and directories currently installed.) @@ -1332,8 +1364,8 @@ Setting up tzdata (2025a-2) ... Current default time zone: 'Etc/UTC' -Local time is now: Mon Mar 24 00:40:01 UTC 2025. -Universal Time is now: Mon Mar 24 00:40:01 UTC 2025. +Local time is now: Sun Apr 26 08:57:08 UTC 2026. +Universal Time is now: Sun Apr 26 08:57:08 UTC 2026. Run 'dpkg-reconfigure tzdata' if you wish to change it. Setting up unicode-data (15.1.0-1) ... @@ -1587,7 +1619,11 @@ Building tag database... -> Finished parsing the build-deps I: Building the package -I: Running cd /build/reproducible-path/meep-1.29.0/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-genchanges -S > ../meep_1.29.0-2_source.changes +I: user script /srv/workspace/pbuilder/4019952/tmp/hooks/A99_set_merged_usr starting +Not re-configuring usrmerge for unstable +I: user script /srv/workspace/pbuilder/4019952/tmp/hooks/A99_set_merged_usr finished +hostname: Name or service not known +I: Running cd /build/reproducible-path/meep-1.29.0/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" HOME="/nonexistent/second-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" HOME="/nonexistent/second-build" dpkg-genchanges -S > ../meep_1.29.0-2_source.changes dpkg-buildpackage: info: source package meep dpkg-buildpackage: info: source version 1.29.0-2 dpkg-buildpackage: info: source distribution unstable @@ -1857,7 +1893,7 @@ config.status: executing libtool commands make[1]: Leaving directory '/build/reproducible-path/meep-1.29.0' dh_auto_build - make -j20 + make -j42 make[1]: Entering directory '/build/reproducible-path/meep-1.29.0' make all-recursive make[2]: Entering directory '/build/reproducible-path/meep-1.29.0' @@ -1867,7 +1903,7 @@ (echo "/* This file was automatically generated --- DO NOT EDIT */"; echo; sed 's/LOOP_OVER/S1LOOP_OVER/g' ../src/step_generic.cpp | sed 's/step_curl/step_curl_stride1/' | sed 's/step_update_EDHB/step_update_EDHB_stride1/' | sed 's/step_beta/step_beta_stride1/'| sed 's/step_bfast/step_bfast_stride1/') > step_generic_stride1.cpp make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/src' x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o sphere-quad.o sphere-quad.cpp -/bin/bash ../libtool --tag=CXX --mode=link x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o sphere_quad sphere-quad.o -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath +/bin/sh ../libtool --tag=CXX --mode=link x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o sphere_quad sphere-quad.o -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o sphere_quad sphere-quad.o -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/src' (echo "/* This file was automatically generated --- DO NOT EDIT */"; echo; ../src/sphere_quad) > sphere-quad.h @@ -1875,276 +1911,99 @@ make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/src' Making all in support make[5]: Entering directory '/build/reproducible-path/meep-1.29.0/src/support' -/bin/bash ../../libtool --tag=CC --mode=compile x86_64-linux-gnu-gcc -DHAVE_CONFIG_H -I. -I../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -c -o mt19937ar.lo mt19937ar.c +/bin/sh ../../libtool --tag=CC --mode=compile x86_64-linux-gnu-gcc -DHAVE_CONFIG_H -I. -I../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -c -o mt19937ar.lo mt19937ar.c libtool: compile: x86_64-linux-gnu-gcc -DHAVE_CONFIG_H -I. -I../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -c mt19937ar.c -fPIC -DPIC -o .libs/mt19937ar.o libtool: compile: x86_64-linux-gnu-gcc -DHAVE_CONFIG_H -I. -I../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -c mt19937ar.c -fPIC -DPIC -o mt19937ar.o >/dev/null 2>&1 -/bin/bash ../../libtool --tag=CC --mode=link x86_64-linux-gnu-gcc -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o libsupport.la mt19937ar.lo -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath +/bin/sh ../../libtool --tag=CC --mode=link x86_64-linux-gnu-gcc -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o libsupport.la mt19937ar.lo -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: x86_64-linux-gnu-ar cr .libs/libsupport.a .libs/mt19937ar.o libtool: link: x86_64-linux-gnu-ranlib .libs/libsupport.a libtool: link: ( cd ".libs" && rm -f "libsupport.la" && ln -s "../libsupport.la" "libsupport.la" ) make[5]: Leaving directory '/build/reproducible-path/meep-1.29.0/src/support' make[5]: Entering directory '/build/reproducible-path/meep-1.29.0/src' -/bin/bash ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o array_slice.lo array_slice.cpp -/bin/bash ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o anisotropic_averaging.lo anisotropic_averaging.cpp -/bin/bash ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o bands.lo bands.cpp -/bin/bash ../libtool --tag=CXX --mode=compile 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-I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c energy_and_flux.cpp -fPIC -DPIC -o energy_and_flux.o >/dev/null 2>&1 -In file included from fields.cpp:25: -meep.hpp: In constructor 'meep::fields::fields(meep::structure*, double, double, bool, int, int, std::vector)': -meep.hpp:2255:16: warning: 'meep::fields::working_on' will be initialized after [-Wreorder] - 2255 | timing_scope working_on; - | ^~~~~~~~~~ -meep.hpp:1744:23: warning: 'std::vector meep::fields::bfast_scaled_k' [-Wreorder] - 1744 | std::vector bfast_scaled_k; - | ^~~~~~~~~~~~~~ -fields.cpp:32:1: warning: when initialized here [-Wreorder] - 32 | fields::fields(structure *s, double m, double beta, bool zero_fields_near_cylorigin, - | ^~~~~~ -meep.hpp: In constructor 'meep::fields_chunk::fields_chunk(meep::structure_chunk*, const char*, double, double, bool, int, int, std::vector)': -meep.hpp:1506:10: warning: 'meep::fields_chunk::beta' will be initialized after [-Wreorder] - 1506 | double beta; - | ^~~~ -meep.hpp:1505:23: warning: 'std::vector meep::fields_chunk::bfast_scaled_k' [-Wreorder] - 1505 | std::vector bfast_scaled_k; - | ^~~~~~~~~~~~~~ -fields.cpp:242:1: warning: when initialized here [-Wreorder] - 242 | fields_chunk::fields_chunk(structure_chunk *the_s, const char *od, double m, double beta, - | ^~~~~~~~~~~~ -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c bands.cpp -fPIC -DPIC -o bands.o >/dev/null 2>&1 -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 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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]; - | ^~ -monitor.cpp:274:15: note: 'comp_list' declared here - 274 | component comp_list[3]; - | ^~~~~~~~~ libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c step.cpp -fPIC -DPIC -o .libs/step.o -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c anisotropic_averaging.cpp -fPIC -DPIC -o anisotropic_averaging.o >/dev/null 2>&1 -/bin/bash ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o step_db.lo step_db.cpp -step.cpp:144: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] - 144 | CHUNK_OPENMP -/bin/bash ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection 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--mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o susceptibility.lo susceptibility.cpp libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c structure_dump.cpp -fPIC -DPIC -o .libs/structure_dump.o -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c monitor.cpp -fPIC -DPIC -o monitor.o >/dev/null 2>&1 -output_directory.cpp: In function 'const char* meep::make_output_directory(const char*, const char*)': -output_directory.cpp:115:35: warning: '-out' directive output may be truncated writing 4 bytes into a region of size between 1 and 300 [-Wformat-truncation=] - 115 | snprintf(outdirname, buflen, "%s-out", basename); - | ^~~~ -In file included from /usr/include/stdio.h:970, - from output_directory.cpp:18: -In function 'int snprintf(char*, size_t, const char*, ...)', - inlined from 'const char* meep::make_output_directory(const char*, const char*)' at output_directory.cpp:115:11: -/usr/include/x86_64-linux-gnu/bits/stdio2.h:68:35: note: '__builtin___snprintf_chk' output between 5 and 304 bytes into a destination of size 300 - 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, - | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ - 69 | __glibc_objsize (__s), __fmt, - | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ - 70 | __va_arg_pack ()); - | ~~~~~~~~~~~~~~~~~ -output_directory.cpp: In function 'const char* meep::make_output_directory(const char*, const char*)': -output_directory.cpp:124:36: warning: '%s' directive output may be truncated writing up to 299 bytes into a region of size between 0 and 299 [-Wformat-truncation=] - 124 | snprintf(outsrcname, buflen, "%s/%s", outdirname, sourcename); - | ^~ ~~~~~~~~~~ -In function 'int snprintf(char*, size_t, const char*, ...)', - inlined from 'const char* meep::make_output_directory(const char*, const char*)' at output_directory.cpp:124:11: -/usr/include/x86_64-linux-gnu/bits/stdio2.h:68:35: note: '__builtin___snprintf_chk' output between 2 and 600 bytes into a destination of size 300 - 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, - | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ - 69 | __glibc_objsize (__s), __fmt, - | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ - 70 | __va_arg_pack ()); - | ~~~~~~~~~~~~~~~~~ -output_directory.cpp: In function 'const char* meep::make_output_directory(const char*, const char*)': -output_directory.cpp:120:39: warning: '-out-' directive output may be truncated writing 5 bytes into a region of size between 1 and 300 [-Wformat-truncation=] - 120 | snprintf(outdirname, buflen, "%s-out-%d", basename, i++); - | ^~~~~ -output_directory.cpp:120:36: note: directive argument in the range [0, 2147483647] - 120 | snprintf(outdirname, buflen, "%s-out-%d", basename, i++); - | ^~~~~~~~~~~ -In function 'int snprintf(char*, size_t, const char*, ...)', - inlined from 'const char* meep::make_output_directory(const char*, const char*)' at output_directory.cpp:120:15: -/usr/include/x86_64-linux-gnu/bits/stdio2.h:68:35: note: '__builtin___snprintf_chk' output between 7 and 315 bytes into a destination of size 300 - 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, - | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ - 69 | __glibc_objsize (__s), __fmt, - | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ - 70 | __va_arg_pack ()); - | ~~~~~~~~~~~~~~~~~ -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c susceptibility.cpp -fPIC -DPIC -o .libs/susceptibility.o -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) { -mympi.cpp: In function 'meep::ivec meep::max_to_all(const ivec&)': -mympi.cpp:408:7: warning: variable 'in' set but not used [-Wunused-but-set-variable] - 408 | int in[5], out[5]; - | ^~ -In file included from sources.cpp:27: -meep_internals.hpp: In constructor 'meep::src_vol::src_vol(meep::component, meep::src_time*, std::vector&&, std::vector >&&, bool)': -meep_internals.hpp:81:38: warning: 'meep::src_vol::amp' will be initialized after [-Wreorder] - 81 | std::vector > amp; // amplitudes - | ^~~ -meep_internals.hpp:77:8: warning: 'bool meep::src_vol::needs_boundary_fix' [-Wreorder] - 77 | bool needs_boundary_fix; // whether fix_boundary_sources needs calling - | ^~~~~~~~~~~~~~~~~~ -sources.cpp:168:1: warning: when initialized here [-Wreorder] - 168 | src_vol::src_vol(component cc, src_time *st, std::vector &&ind, - | ^~~~~~~ -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c output_directory.cpp -fPIC -DPIC -o output_directory.o >/dev/null 2>&1 -mympi.cpp: In function 'void meep::abort(const char*, ...)': -mympi.cpp:248:12: warning: ignoring return value of 'int vasprintf(char**, const char*, __va_list_tag*)' declared with attribute 'warn_unused_result' [-Wunused-result] - 248 | vasprintf(&s, fmt, ap); - | ~~~~~~~~~^~~~~~~~~~~~~ -mympi.cpp: In function 'void meep::_do_master_printf(FILE*, meep_printf_callback_func, const char*, __va_list_tag*)': -mympi.cpp:692:16: warning: ignoring return value of 'int vasprintf(char**, const char*, __va_list_tag*)' declared with attribute 'warn_unused_result' [-Wunused-result] - 692 | vasprintf(&s, fmt, ap); - | ~~~~~~~~~^~~~~~~~~~~~~ -/bin/bash ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o time.lo time.cpp +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c vec.cpp -fPIC -DPIC -o .libs/vec.o libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat 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-I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c dft.cpp -fPIC -DPIC -o dft.o >/dev/null 2>&1 -step_db.cpp: In member function 'bool meep::fields_chunk::step_db(meep::field_type)': -step_db.cpp:189:19: warning: unused variable 'dk' [-Wunused-variable] - 189 | const int dk = gv.iyee_shift(cc).in_direction(dsig); - | ^~ -step_db.cpp:192:19: warning: unused variable 'dku' [-Wunused-variable] - 192 | const int dku = gv.iyee_shift(cc).in_direction(dsigu); - | ^~~ -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c multilevel-atom.cpp -fPIC -DPIC -o multilevel-atom.o 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-fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c mympi.cpp -fPIC -DPIC -o .libs/mympi.o +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c sources.cpp -fPIC -DPIC -o .libs/sources.o libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c mpb.cpp -fPIC -DPIC -o .libs/mpb.o -/bin/bash ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o update_pols.lo update_pols.cpp -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c near2far.cpp -fPIC -DPIC -o near2far.o >/dev/null 2>&1 -/bin/bash ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o vec.lo vec.cpp -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c stress.cpp -fPIC -DPIC -o stress.o >/dev/null 2>&1 -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c update_pols.cpp -fPIC -DPIC -o .libs/update_pols.o -structure_dump.cpp: In member function 'void meep::structure::dump(const char*, bool)': -structure_dump.cpp:296:46: warning: '_' directive output may be truncated writing 1 byte into a region of size between 0 and 9 [-Wformat-truncation=] - 296 | snprintf(dname, 20, "%c_%d_sigma_%d_%d", ft == 0 ? 'E' : 'H', i, c, d); - | ^ -structure_dump.cpp:296:31: note: using the range [-2147483648, 2147483647] for directive argument - 296 | snprintf(dname, 20, "%c_%d_sigma_%d_%d", ft == 0 ? 'E' : 'H', i, c, d); - | ^~~~~~~~~~~~~~~~~~~ -In file included from /usr/include/stdio.h:970, - from structure_dump.cpp:22: -In function 'int snprintf(char*, size_t, const char*, ...)', - inlined from 'void meep::structure::dump(const char*, bool)' at structure_dump.cpp:296:19: -/usr/include/x86_64-linux-gnu/bits/stdio2.h:68:35: note: '__builtin___snprintf_chk' output between 14 and 43 bytes into a destination of size 20 - 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, - | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ - 69 | __glibc_objsize (__s), __fmt, - | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ - 70 | __va_arg_pack ()); - | ~~~~~~~~~~~~~~~~~ -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c sources.cpp -fPIC -DPIC -o sources.o >/dev/null 2>&1 -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c vec.cpp -fPIC -DPIC -o .libs/vec.o -/bin/bash ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o step_generic.lo step_generic.cpp -structure_dump.cpp: In member function 'void meep::structure::load(const char*, bool)': -structure_dump.cpp:748:44: warning: '%d' directive output may be truncated writing between 1 and 2 bytes into a region of size between 1 and 10 [-Wformat-truncation=] - 748 | snprintf(dname, 20, "%c_%d_sigma_%d_%d", ft == 0 ? 'E' : 'H', i, c, d); - | ^~ -structure_dump.cpp:748:31: note: directive argument in the range [0, 19] - 748 | snprintf(dname, 20, "%c_%d_sigma_%d_%d", ft == 0 ? 'E' : 'H', i, c, d); - | ^~~~~~~~~~~~~~~~~~~ -structure_dump.cpp:748:31: note: directive argument in the range [0, 4] -In function 'int snprintf(char*, size_t, const char*, ...)', - inlined from 'void meep::structure::load(const char*, bool)' at structure_dump.cpp:748:19: -/usr/include/x86_64-linux-gnu/bits/stdio2.h:68:35: note: '__builtin___snprintf_chk' output between 14 and 24 bytes into a destination of size 20 - 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, - | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ - 69 | __glibc_objsize (__s), __fmt, - | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ - 70 | __va_arg_pack ()); - | ~~~~~~~~~~~~~~~~~ -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c step_generic.cpp -fPIC -DPIC -o .libs/step_generic.o step_generic.cpp:90: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 90 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:96: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] @@ -2261,37 +2120,14 @@ 775 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:782: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 782 | PLOOP_OVER_IVECS(gv, is, ie, i) { f[i] = g[i]; } -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c susceptibility.cpp -fPIC -DPIC -o susceptibility.o >/dev/null 2>&1 -/bin/bash ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o meepgeom.lo meepgeom.cpp -/bin/bash ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o GDSIIgeom.lo GDSIIgeom.cpp -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c meepgeom.cpp -fPIC -DPIC -o .libs/meepgeom.o -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c GDSIIgeom.cpp -fPIC -DPIC -o .libs/GDSIIgeom.o -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c structure_dump.cpp -fPIC -DPIC -o structure_dump.o >/dev/null 2>&1 -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c update_eh.cpp -fPIC -DPIC -o update_eh.o >/dev/null 2>&1 -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c update_pols.cpp -fPIC -DPIC -o update_pols.o >/dev/null 2>&1 -/bin/bash ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o step_generic_stride1.lo step_generic_stride1.cpp -meepgeom.cpp:2959: warning: ignoring '#pragma unroll ' [-Wunknown-pragmas] - 2959 | #pragma unroll -step_generic.cpp: In function 'void meep::step_bfast(realnum*, component, const realnum*, const realnum*, ptrdiff_t, ptrdiff_t, const grid_volume&, ivec, ivec, realnum, direction, const realnum*, const realnum*, const realnum*, realnum*, direction, const realnum*, const realnum*, const realnum*, realnum, const realnum*, const realnum*, realnum*, realnum*, realnum, realnum)': -step_generic.cpp:434:17: warning: unused variable 'dt2' [-Wunused-variable] - 434 | realnum dt2 = dt * 0.5; - | ^~~ -step_generic.cpp:337:78: warning: unused parameter 'dtdx' [-Wunused-parameter] - 337 | const grid_volume &gv, const ivec is, const ivec ie, realnum dtdx, direction dsig, - | ~~~~~~~~^~~~ -step_generic.cpp:338:27: warning: unused parameter 'sig' [-Wunused-parameter] - 338 | const RPR sig, const RPR kap, const RPR siginv, RPR fu, direction dsigu, - | ~~~~~~~~~~^~~ -step_generic.cpp:338:42: warning: unused parameter 'kap' [-Wunused-parameter] - 338 | const RPR sig, const RPR kap, const RPR siginv, RPR fu, direction dsigu, - | ~~~~~~~~~~^~~ -step_generic.cpp:339:27: warning: unused parameter 'sigu' [-Wunused-parameter] - 339 | const RPR sigu, const RPR kapu, const RPR siginvu, realnum dt, const RPR cnd, - | ~~~~~~~~~~^~~~ -step_generic.cpp:339:43: warning: unused parameter 'kapu' [-Wunused-parameter] - 339 | const RPR sigu, const RPR kapu, const RPR siginvu, realnum dt, const RPR cnd, - | ~~~~~~~~~~^~~~ -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c step_generic_stride1.cpp -fPIC -DPIC -o .libs/step_generic_stride1.o +dft.cpp:274: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 274 | PLOOP_OVER_IVECS(fc->gv, is, ie, idx) { +susceptibility.cpp:228: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 228 | PLOOP_OVER_VOL_OWNED(gv, c, i) { +susceptibility.cpp:242: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 242 | PLOOP_OVER_VOL_OWNED(gv, c, i) { +susceptibility.cpp:252: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 252 | PLOOP_OVER_VOL_OWNED(gv, c, i) { step_generic_stride1.cpp:92: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 92 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:92: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] @@ -2466,11 +2302,187 @@ step_generic_stride1.cpp:784: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 784 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { f[i] = g[i]; } step_generic_stride1.cpp:784: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c time.cpp -fPIC -DPIC -o time.o >/dev/null 2>&1 +meepgeom.cpp:2959: warning: ignoring '#pragma unroll ' [-Wunknown-pragmas] + 2959 | #pragma unroll +step.cpp:144: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] + 144 | CHUNK_OPENMP +In file included from fields.cpp:25: +meep.hpp: In constructor 'meep::fields::fields(meep::structure*, double, double, bool, int, int, std::vector)': +meep.hpp:2255:16: warning: 'meep::fields::working_on' will be initialized after [-Wreorder] + 2255 | timing_scope working_on; + | ^~~~~~~~~~ +meep.hpp:1744:23: warning: 'std::vector meep::fields::bfast_scaled_k' [-Wreorder] + 1744 | std::vector bfast_scaled_k; + | ^~~~~~~~~~~~~~ +fields.cpp:32:1: warning: when initialized here [-Wreorder] + 32 | fields::fields(structure *s, double m, double beta, bool zero_fields_near_cylorigin, + | ^~~~~~ +meep.hpp: In constructor 'meep::fields_chunk::fields_chunk(meep::structure_chunk*, const char*, double, double, bool, int, int, std::vector)': +meep.hpp:1506:10: warning: 'meep::fields_chunk::beta' will be initialized after [-Wreorder] + 1506 | double beta; + | ^~~~ +meep.hpp:1505:23: warning: 'std::vector meep::fields_chunk::bfast_scaled_k' [-Wreorder] + 1505 | std::vector bfast_scaled_k; + | ^~~~~~~~~~~~~~ +fields.cpp:242:1: warning: when initialized here [-Wreorder] + 242 | fields_chunk::fields_chunk(structure_chunk *the_s, const char *od, double m, double beta, + | ^~~~~~~~~~~~ +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c random.cpp -fPIC -DPIC -o random.o >/dev/null 2>&1 +In file included from sources.cpp:27: +meep_internals.hpp: In constructor 'meep::src_vol::src_vol(meep::component, meep::src_time*, std::vector&&, std::vector >&&, bool)': +meep_internals.hpp:81:38: warning: 'meep::src_vol::amp' will be initialized after [-Wreorder] + 81 | std::vector > amp; // amplitudes + | ^~~ +meep_internals.hpp:77:8: warning: 'bool meep::src_vol::needs_boundary_fix' [-Wreorder] + 77 | bool needs_boundary_fix; // whether fix_boundary_sources needs calling + | ^~~~~~~~~~~~~~~~~~ +sources.cpp:168:1: warning: when initialized here [-Wreorder] + 168 | src_vol::src_vol(component cc, src_time *st, std::vector &&ind, + | ^~~~~~~ +step_generic_stride1.cpp: In function 'void meep::step_bfast_stride1(realnum*, component, const realnum*, const realnum*, ptrdiff_t, ptrdiff_t, const grid_volume&, ivec, ivec, realnum, direction, const realnum*, const realnum*, const realnum*, realnum*, direction, const realnum*, const realnum*, const realnum*, realnum, const realnum*, const realnum*, realnum*, realnum*, realnum, realnum)': +step_generic_stride1.cpp:436:17: warning: unused variable 'dt2' [-Wunused-variable] + 436 | realnum dt2 = dt * 0.5; + | ^~~ +step_generic_stride1.cpp:339:78: warning: unused parameter 'dtdx' [-Wunused-parameter] + 339 | const grid_volume &gv, const ivec is, const ivec ie, realnum dtdx, direction dsig, + | ~~~~~~~~^~~~ +step_generic_stride1.cpp:340:27: warning: unused parameter 'sig' [-Wunused-parameter] + 340 | const RPR sig, const RPR kap, const RPR siginv, RPR fu, direction dsigu, + | ~~~~~~~~~~^~~ +step_generic_stride1.cpp:340:42: warning: unused parameter 'kap' [-Wunused-parameter] + 340 | const RPR sig, const RPR kap, const RPR siginv, RPR fu, direction dsigu, + | ~~~~~~~~~~^~~ +step_generic_stride1.cpp:341:27: warning: unused parameter 'sigu' [-Wunused-parameter] + 341 | const RPR sigu, const RPR kapu, const RPR siginvu, realnum dt, const RPR cnd, + | ~~~~~~~~~~^~~~ +step_generic_stride1.cpp:341:43: warning: unused parameter 'kapu' [-Wunused-parameter] + 341 | const RPR sigu, const RPR kapu, const RPR siginvu, realnum dt, const RPR cnd, + | ~~~~~~~~~~^~~~ +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c bands.cpp -fPIC -DPIC -o bands.o >/dev/null 2>&1 +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c multilevel-atom.cpp -fPIC -DPIC -o multilevel-atom.o >/dev/null 2>&1 +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c h5file.cpp -fPIC -DPIC -o h5file.o >/dev/null 2>&1 +output_directory.cpp: In function 'const char* meep::make_output_directory(const char*, const char*)': +output_directory.cpp:115:35: warning: '-out' directive output may be truncated writing 4 bytes into a region of size between 1 and 300 [-Wformat-truncation=] + 115 | snprintf(outdirname, buflen, "%s-out", basename); + | ^~~~ +In file included from /usr/include/stdio.h:970, + from output_directory.cpp:18: +In function 'int snprintf(char*, size_t, const char*, ...)', + inlined from 'const char* meep::make_output_directory(const char*, const char*)' at output_directory.cpp:115:11: +/usr/include/x86_64-linux-gnu/bits/stdio2.h:68:35: note: '__builtin___snprintf_chk' output between 5 and 304 bytes into a destination of size 300 + 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, + | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + 69 | __glibc_objsize (__s), __fmt, + | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + 70 | __va_arg_pack ()); + | ~~~~~~~~~~~~~~~~~ +output_directory.cpp: In function 'const char* meep::make_output_directory(const char*, const char*)': +output_directory.cpp:124:36: warning: '%s' directive output may be truncated writing up to 299 bytes into a region of size between 0 and 299 [-Wformat-truncation=] + 124 | snprintf(outsrcname, buflen, "%s/%s", outdirname, sourcename); + | ^~ ~~~~~~~~~~ +In function 'int snprintf(char*, size_t, const char*, ...)', + inlined from 'const char* meep::make_output_directory(const char*, const char*)' at output_directory.cpp:124:11: +/usr/include/x86_64-linux-gnu/bits/stdio2.h:68:35: note: '__builtin___snprintf_chk' output between 2 and 600 bytes into a destination of size 300 + 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, + | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + 69 | __glibc_objsize (__s), __fmt, + | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + 70 | __va_arg_pack ()); + | ~~~~~~~~~~~~~~~~~ +output_directory.cpp: In function 'const char* meep::make_output_directory(const char*, const char*)': +output_directory.cpp:120:39: warning: '-out-' directive output may be truncated writing 5 bytes into a region of size between 1 and 300 [-Wformat-truncation=] + 120 | snprintf(outdirname, buflen, "%s-out-%d", basename, i++); + | ^~~~~ +output_directory.cpp:120:36: note: directive argument in the range [0, 2147483647] + 120 | snprintf(outdirname, buflen, "%s-out-%d", basename, i++); + | ^~~~~~~~~~~ +In function 'int snprintf(char*, size_t, const char*, ...)', + inlined from 'const char* meep::make_output_directory(const char*, const char*)' at output_directory.cpp:120:15: +/usr/include/x86_64-linux-gnu/bits/stdio2.h:68:35: note: '__builtin___snprintf_chk' output between 7 and 315 bytes into a destination of size 300 + 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, + | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + 69 | __glibc_objsize (__s), __fmt, + | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + 70 | __va_arg_pack ()); + | ~~~~~~~~~~~~~~~~~ +step_db.cpp: In member function 'bool meep::fields_chunk::step_db(meep::field_type)': +step_db.cpp:189:19: warning: unused variable 'dk' [-Wunused-variable] + 189 | const int dk = gv.iyee_shift(cc).in_direction(dsig); + | ^~ +step_db.cpp:192:19: warning: unused variable 'dku' [-Wunused-variable] + 192 | const int dku = gv.iyee_shift(cc).in_direction(dsigu); + | ^~~ +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c output_directory.cpp -fPIC -DPIC -o output_directory.o >/dev/null 2>&1 +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c stress.cpp -fPIC -DPIC -o stress.o >/dev/null 2>&1 +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c update_pols.cpp -fPIC -DPIC -o update_pols.o >/dev/null 2>&1 +structure_dump.cpp: In member function 'void meep::structure::dump(const char*, bool)': +structure_dump.cpp:296:46: warning: '_' directive output may be truncated writing 1 byte into a region of size between 0 and 9 [-Wformat-truncation=] + 296 | snprintf(dname, 20, "%c_%d_sigma_%d_%d", ft == 0 ? 'E' : 'H', i, c, d); + | ^ +structure_dump.cpp:296:31: note: using the range [-2147483648, 2147483647] for directive argument + 296 | snprintf(dname, 20, "%c_%d_sigma_%d_%d", ft == 0 ? 'E' : 'H', i, c, d); + | ^~~~~~~~~~~~~~~~~~~ +In file included from /usr/include/stdio.h:970, + from structure_dump.cpp:22: +In function 'int snprintf(char*, size_t, const char*, ...)', + inlined from 'void meep::structure::dump(const char*, bool)' at structure_dump.cpp:296:19: +/usr/include/x86_64-linux-gnu/bits/stdio2.h:68:35: note: '__builtin___snprintf_chk' output between 14 and 43 bytes into a destination of size 20 + 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, + | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + 69 | __glibc_objsize (__s), __fmt, + | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + 70 | __va_arg_pack ()); + | ~~~~~~~~~~~~~~~~~ +step_generic.cpp: In function 'void meep::step_bfast(realnum*, component, const realnum*, const realnum*, ptrdiff_t, ptrdiff_t, const grid_volume&, ivec, ivec, realnum, direction, const realnum*, const realnum*, const realnum*, realnum*, direction, const realnum*, const realnum*, const realnum*, realnum, const realnum*, const realnum*, realnum*, realnum*, realnum, realnum)': +step_generic.cpp:434:17: warning: unused variable 'dt2' [-Wunused-variable] + 434 | realnum dt2 = dt * 0.5; + | ^~~ +step_generic.cpp:337:78: warning: unused parameter 'dtdx' [-Wunused-parameter] + 337 | const grid_volume &gv, const ivec is, const ivec ie, realnum dtdx, direction dsig, + | ~~~~~~~~^~~~ +step_generic.cpp:338:27: warning: unused parameter 'sig' [-Wunused-parameter] + 338 | const RPR sig, const RPR kap, const RPR siginv, RPR fu, direction dsigu, + | ~~~~~~~~~~^~~ +step_generic.cpp:338:42: warning: unused parameter 'kap' [-Wunused-parameter] + 338 | const RPR sig, const RPR kap, const RPR siginv, RPR fu, direction dsigu, + | ~~~~~~~~~~^~~ +step_generic.cpp:339:27: warning: unused parameter 'sigu' [-Wunused-parameter] + 339 | const RPR sigu, const RPR kapu, const RPR siginvu, realnum dt, const RPR cnd, + | ~~~~~~~~~~^~~~ +step_generic.cpp:339:43: warning: unused parameter 'kapu' [-Wunused-parameter] + 339 | const RPR sigu, const RPR kapu, const RPR siginvu, realnum dt, const RPR cnd, + | ~~~~~~~~~~^~~~ +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c fields_dump.cpp -fPIC -DPIC -o fields_dump.o >/dev/null 2>&1 +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c update_eh.cpp -fPIC -DPIC -o update_eh.o >/dev/null 2>&1 meepgeom.cpp: In copy constructor 'meep_geom::geom_epsilon::geom_epsilon(const meep_geom::geom_epsilon&)': meepgeom.cpp:711:1: warning: base class 'class meep::material_function' should be explicitly initialized in the copy constructor [-Wextra] 711 | geom_epsilon::geom_epsilon(const geom_epsilon &geps1) { | ^~~~~~~~~~~~ +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c mpb.cpp -fPIC -DPIC -o mpb.o >/dev/null 2>&1 +structure_dump.cpp: In member function 'void meep::structure::load(const char*, bool)': +structure_dump.cpp:748:44: warning: '%d' directive output may be truncated writing between 1 and 2 bytes into a region of size between 1 and 10 [-Wformat-truncation=] + 748 | snprintf(dname, 20, "%c_%d_sigma_%d_%d", ft == 0 ? 'E' : 'H', i, c, d); + | ^~ +structure_dump.cpp:748:31: note: directive argument in the range [0, 19] + 748 | snprintf(dname, 20, "%c_%d_sigma_%d_%d", ft == 0 ? 'E' : 'H', i, c, d); + | ^~~~~~~~~~~~~~~~~~~ +structure_dump.cpp:748:31: note: directive argument in the range [0, 4] +In function 'int snprintf(char*, size_t, const char*, ...)', + inlined from 'void meep::structure::load(const char*, bool)' at structure_dump.cpp:748:19: +/usr/include/x86_64-linux-gnu/bits/stdio2.h:68:35: note: '__builtin___snprintf_chk' output between 14 and 24 bytes into a destination of size 20 + 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, + | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + 69 | __glibc_objsize (__s), __fmt, + | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + 70 | __va_arg_pack ()); + | ~~~~~~~~~~~~~~~~~ +boundaries.cpp: In member function 'meep::ivec meep::fields::ilattice_vector(meep::direction) const': +boundaries.cpp:120:7: warning: this statement may fall through [-Wimplicit-fallthrough=] + 120 | switch (d) { + | ^~~~~~ +boundaries.cpp:128:5: note: here + 128 | case D3: + | ^~~~ 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]; @@ -2523,32 +2535,54 @@ meepgeom.cpp:3000:25: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 3000 | for (int ii = 0; ii < adjoint_dft_chunks[i].size(); ii++) { | ~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -step_generic_stride1.cpp: In function 'void meep::step_bfast_stride1(realnum*, component, const realnum*, const realnum*, ptrdiff_t, ptrdiff_t, const grid_volume&, ivec, ivec, realnum, direction, const realnum*, const realnum*, const realnum*, realnum*, direction, const realnum*, const realnum*, const realnum*, realnum, const realnum*, const realnum*, realnum*, realnum*, realnum, realnum)': -step_generic_stride1.cpp:436:17: warning: unused variable 'dt2' [-Wunused-variable] - 436 | realnum dt2 = dt * 0.5; - | ^~~ -step_generic_stride1.cpp:339:78: warning: unused parameter 'dtdx' [-Wunused-parameter] - 339 | const grid_volume &gv, const ivec is, const ivec ie, realnum dtdx, direction dsig, - | ~~~~~~~~^~~~ -step_generic_stride1.cpp:340:27: warning: unused parameter 'sig' [-Wunused-parameter] - 340 | const RPR sig, const RPR kap, const RPR siginv, RPR fu, direction dsigu, - | ~~~~~~~~~~^~~ -step_generic_stride1.cpp:340:42: warning: unused parameter 'kap' [-Wunused-parameter] - 340 | const RPR sig, const RPR kap, const RPR siginv, RPR fu, direction dsigu, - | ~~~~~~~~~~^~~ -step_generic_stride1.cpp:341:27: warning: unused parameter 'sigu' [-Wunused-parameter] - 341 | const RPR sigu, const RPR kapu, const RPR siginvu, realnum dt, const RPR cnd, - | ~~~~~~~~~~^~~~ -step_generic_stride1.cpp:341:43: warning: unused parameter 'kapu' [-Wunused-parameter] - 341 | const RPR sigu, const RPR kapu, const RPR siginvu, realnum dt, const RPR cnd, - | ~~~~~~~~~~^~~~ +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c casimir.cpp -fPIC -DPIC -o casimir.o >/dev/null 2>&1 +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c bicgstab.cpp -fPIC -DPIC -o bicgstab.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: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c mpb.cpp -fPIC -DPIC -o mpb.o >/dev/null 2>&1 +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c 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]; + | ^~ +monitor.cpp:274:15: note: 'comp_list' declared here + 274 | component comp_list[3]; + | ^~~~~~~~~ +mympi.cpp: In function 'meep::ivec meep::max_to_all(const ivec&)': +mympi.cpp:408:7: warning: variable 'in' set but not used [-Wunused-but-set-variable] + 408 | int in[5], out[5]; + | ^~ +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c energy_and_flux.cpp -fPIC -DPIC -o energy_and_flux.o >/dev/null 2>&1 +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c dft_ldos.cpp -fPIC -DPIC -o dft_ldos.o >/dev/null 2>&1 +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c initialize.cpp -fPIC -DPIC -o initialize.o >/dev/null 2>&1 +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c material_data.cpp -fPIC -DPIC -o material_data.o >/dev/null 2>&1 +mympi.cpp: In function 'void meep::abort(const char*, ...)': +mympi.cpp:248:12: warning: ignoring return value of 'int vasprintf(char**, const char*, __va_list_tag*)' declared with attribute 'warn_unused_result' [-Wunused-result] + 248 | vasprintf(&s, fmt, ap); + | ~~~~~~~~~^~~~~~~~~~~~~ +mympi.cpp: In function 'void meep::_do_master_printf(FILE*, meep_printf_callback_func, const char*, __va_list_tag*)': +mympi.cpp:692:16: warning: ignoring return value of 'int vasprintf(char**, const char*, __va_list_tag*)' declared with attribute 'warn_unused_result' [-Wunused-result] + 692 | vasprintf(&s, fmt, ap); + | ~~~~~~~~~^~~~~~~~~~~~~ +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c loop_in_chunks.cpp -fPIC -DPIC -o loop_in_chunks.o >/dev/null 2>&1 +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c sources.cpp -fPIC -DPIC -o sources.o >/dev/null 2>&1 +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c step.cpp -fPIC -DPIC -o step.o >/dev/null 2>&1 +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c structure_dump.cpp -fPIC -DPIC -o structure_dump.o >/dev/null 2>&1 +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c time.cpp -fPIC -DPIC -o time.o >/dev/null 2>&1 +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c integrate.cpp -fPIC -DPIC -o integrate.o >/dev/null 2>&1 +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c mympi.cpp -fPIC -DPIC -o mympi.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c GDSIIgeom.cpp -fPIC -DPIC -o GDSIIgeom.o >/dev/null 2>&1 +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c monitor.cpp -fPIC -DPIC -o monitor.o >/dev/null 2>&1 +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c fields.cpp -fPIC -DPIC -o fields.o >/dev/null 2>&1 +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c fix_boundary_sources.cpp -fPIC -DPIC -o fix_boundary_sources.o >/dev/null 2>&1 +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c h5fields.cpp -fPIC -DPIC -o h5fields.o >/dev/null 2>&1 +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c array_slice.cpp -fPIC -DPIC -o array_slice.o >/dev/null 2>&1 +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c near2far.cpp -fPIC -DPIC -o near2far.o >/dev/null 2>&1 +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c cw_fields.cpp -fPIC -DPIC -o cw_fields.o >/dev/null 2>&1 +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c susceptibility.cpp -fPIC -DPIC -o susceptibility.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c step_db.cpp -fPIC -DPIC -o step_db.o >/dev/null 2>&1 +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c anisotropic_averaging.cpp -fPIC -DPIC -o anisotropic_averaging.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, @@ -2559,11 +2593,13 @@ 2760 | int kind; | ^~~~ libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c vec.cpp -fPIC -DPIC -o vec.o >/dev/null 2>&1 +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c dft.cpp -fPIC -DPIC -o dft.o >/dev/null 2>&1 +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c boundaries.cpp -fPIC -DPIC -o boundaries.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c structure.cpp -fPIC -DPIC -o structure.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c meepgeom.cpp -fPIC -DPIC -o meepgeom.o >/dev/null 2>&1 -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c step_generic.cpp -fPIC -DPIC -o step_generic.o >/dev/null 2>&1 libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c step_generic_stride1.cpp -fPIC -DPIC -o step_generic_stride1.o >/dev/null 2>&1 -/bin/bash ../libtool --tag=CXX --mode=link x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o libmeep.la -rpath /usr/lib/x86_64-linux-gnu array_slice.lo anisotropic_averaging.lo bands.lo boundaries.lo bicgstab.lo casimir.lo cw_fields.lo dft.lo dft_ldos.lo energy_and_flux.lo fields.lo fields_dump.lo fix_boundary_sources.lo loop_in_chunks.lo h5fields.lo h5file.lo initialize.lo integrate.lo integrate2.lo material_data.lo monitor.lo mympi.lo multilevel-atom.lo near2far.lo output_directory.lo random.lo sources.lo step.lo step_db.lo stress.lo structure.lo structure_dump.lo susceptibility.lo time.lo update_eh.lo mpb.lo update_pols.lo vec.lo step_generic.lo meepgeom.lo GDSIIgeom.lo step_generic_stride1.lo support/libsupport.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c step_generic.cpp -fPIC -DPIC -o step_generic.o >/dev/null 2>&1 +/bin/sh ../libtool --tag=CXX --mode=link x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o libmeep.la -rpath /usr/lib/x86_64-linux-gnu array_slice.lo anisotropic_averaging.lo bands.lo boundaries.lo bicgstab.lo casimir.lo cw_fields.lo dft.lo dft_ldos.lo energy_and_flux.lo fields.lo fields_dump.lo fix_boundary_sources.lo loop_in_chunks.lo h5fields.lo h5file.lo initialize.lo integrate.lo integrate2.lo material_data.lo monitor.lo mympi.lo multilevel-atom.lo near2far.lo output_directory.lo random.lo sources.lo step.lo step_db.lo stress.lo structure.lo structure_dump.lo susceptibility.lo time.lo update_eh.lo mpb.lo update_pols.lo vec.lo step_generic.lo meepgeom.lo GDSIIgeom.lo step_generic_stride1.lo support/libsupport.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: x86_64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crti.o /usr/lib/gcc/x86_64-linux-gnu/14/crtbeginS.o .libs/array_slice.o .libs/anisotropic_averaging.o .libs/bands.o .libs/boundaries.o .libs/bicgstab.o .libs/casimir.o .libs/cw_fields.o .libs/dft.o .libs/dft_ldos.o .libs/energy_and_flux.o .libs/fields.o .libs/fields_dump.o .libs/fix_boundary_sources.o .libs/loop_in_chunks.o .libs/h5fields.o .libs/h5file.o .libs/initialize.o .libs/integrate.o .libs/integrate2.o .libs/material_data.o .libs/monitor.o .libs/mympi.o .libs/multilevel-atom.o .libs/near2far.o .libs/output_directory.o .libs/random.o .libs/sources.o .libs/step.o .libs/step_db.o .libs/stress.o .libs/structure.o .libs/structure_dump.o .libs/susceptibility.o .libs/time.o .libs/update_eh.o .libs/mpb.o .libs/update_pols.o .libs/vec.o .libs/step_generic.o .libs/meepgeom.o .libs/GDSIIgeom.o .libs/step_generic_stride1.o -Wl,--whole-archive support/.libs/libsupport.a -Wl,--no-whole-archive -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -lfftw3 -lgfortran -lquadmath -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/x86_64-linux-gnu/14/crtendS.o /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -Wl,-soname -Wl,libmeep.so.33 -o .libs/libmeep.so.33.0.0 libtool: link: (cd ".libs" && rm -f "libmeep.so.33" && ln -s "libmeep.so.33.0.0" "libmeep.so.33") libtool: link: (cd ".libs" && rm -f "libmeep.so" && ln -s "libmeep.so.33.0.0" "libmeep.so") @@ -2682,13 +2718,13 @@ structure.cpp:509:17: note: 'mat1' declared here 509 | material_type mat1, mat2; | ^~~~ -/bin/bash ../libtool --tag=CXX --mode=link x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o meep meep-meep.o meep-structure.o meep-meep_wrap.o meep-main.o meep-geom.o meep-ctl-io.o ../src/libmeep.la -lctl -lguile-3.0 -lgc -lpthread -ldl -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath +/bin/sh ../libtool --tag=CXX --mode=link x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o meep meep-meep.o meep-structure.o meep-meep_wrap.o meep-main.o meep-geom.o meep-ctl-io.o ../src/libmeep.la -lctl -lguile-3.0 -lgc -lpthread -ldl -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o .libs/meep meep-meep.o meep-structure.o meep-meep_wrap.o meep-main.o meep-geom.o meep-ctl-io.o ../src/.libs/libmeep.so -lctl -lguile-3.0 -lgc -lpthread -ldl -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/scheme' make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/scheme' Making all in libpympb make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/libpympb' -/bin/bash ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -Wfatal-errors -I../src -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o libpympb_la-pympb.lo `test -f 'pympb.cpp' || echo './'`pympb.cpp +/bin/sh ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -Wfatal-errors -I../src -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o libpympb_la-pympb.lo `test -f 'pympb.cpp' || echo './'`pympb.cpp libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -Wfatal-errors -I../src -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c pympb.cpp -fPIC -DPIC -o .libs/libpympb_la-pympb.o pympb.cpp:46:1: warning: multi-line comment [-Wcomment] 46 | // #define LOOP_XYZ(md) \ @@ -2713,7 +2749,7 @@ 2028 | mpi_allreduce(sq_sum2, sq_sum, 2, mpb_real, SCALAR_MPI_TYPE, MPI_SUM, mpb_comm); | ^~~~~~~~~~~~~ libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -Wfatal-errors -I../src -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c pympb.cpp -fPIC -DPIC -o libpympb_la-pympb.o >/dev/null 2>&1 -/bin/bash ../libtool --tag=CXX --mode=link x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o libpympb.la -rpath /usr/lib/x86_64-linux-gnu libpympb_la-pympb.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath +/bin/sh ../libtool --tag=CXX --mode=link x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o libpympb.la -rpath /usr/lib/x86_64-linux-gnu libpympb_la-pympb.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: x86_64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crti.o /usr/lib/gcc/x86_64-linux-gnu/14/crtbeginS.o .libs/libpympb_la-pympb.o -Wl,-rpath -Wl,/build/reproducible-path/meep-1.29.0/src/.libs ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lquadmath -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/x86_64-linux-gnu/14/crtendS.o /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -Wl,-soname -Wl,libpympb.so.33 -o .libs/libpympb.so.33.0.0 libtool: link: (cd ".libs" && rm -f "libpympb.so.33" && ln -s "libpympb.so.33.0.0" "libpympb.so.33") libtool: link: (cd ".libs" && rm -f "libpympb.so" && ln -s "libpympb.so.33.0.0" "libpympb.so") @@ -2739,10 +2775,14 @@ fi make all-am make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/python' -/bin/bash ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o _meep_la-meep-python.lo `test -f 'meep-python.cxx' || echo './'`meep-python.cxx -/bin/bash ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o _mpb_la-mpb-python.lo `test -f 'mpb-python.cxx' || echo './'`mpb-python.cxx +/bin/sh ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o _meep_la-meep-python.lo `test -f 'meep-python.cxx' || echo './'`meep-python.cxx +/bin/sh ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o _mpb_la-mpb-python.lo `test -f 'mpb-python.cxx' || echo './'`mpb-python.cxx libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c mpb-python.cxx -fPIC -DPIC -o .libs/_mpb_la-mpb-python.o libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c meep-python.cxx -fPIC -DPIC -o .libs/_meep_la-meep-python.o +In file included from mpb-python.cxx:3409: +typemap_utils.cpp:115:18: warning: 'PyObject* py_volume_object()' defined but not used [-Wunused-function] + 115 | static PyObject *py_volume_object() { + | ^~~~~~~~~~~~~~~~ meep-python.cxx: In function 'meep::structure* create_structure(vector3, std::vector, std::vector, std::vector, std::vector, std::vector, meep::grid_volume&, const meep::boundary_region&, const meep::symmetry&, int, double, bool, double, int, geometric_object_list, vector3, bool, meep_geom::material_type, meep_geom::absorber_list, meep_geom::material_type_list, bool, bool, meep::structure*, bool, const meep::binary_partition*)': meep-python.cxx:7529:62: warning: unused parameter 'alist' [-Wunused-parameter] 7529 | meep_geom::absorber_list alist, @@ -2766,10 +2806,6 @@ meep-python.cxx:7591:51: warning: unused parameter 'my_bp' [-Wunused-parameter] 7591 | const meep::binary_partition *my_bp) { | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~ -In file included from mpb-python.cxx:3409: -typemap_utils.cpp:115:18: warning: 'PyObject* py_volume_object()' defined but not used [-Wunused-function] - 115 | static PyObject *py_volume_object() { - | ^~~~~~~~~~~~~~~~ meep-python.cxx: In function 'PyObject* _wrap_abort__varargs__(PyObject*, PyObject*, PyObject*)': meep-python.cxx:25557:87: warning: unused parameter 'varargs' [-Wunused-parameter] 25557 | SWIGINTERN PyObject *_wrap_abort__varargs__(PyObject *self, PyObject *args, PyObject *varargs) { @@ -2810,13 +2846,13 @@ meep-python.cxx:126313:53: warning: unused parameter 'self' [-Wunused-parameter] 126313 | SWIGINTERN PyObject *_wrap_master_fprintf(PyObject *self, PyObject *args) { | ~~~~~~~~~~^~~~ +libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c mpb-python.cxx -fPIC -DPIC -o _mpb_la-mpb-python.o >/dev/null 2>&1 In file included from meep-python.cxx:4104: typemap_utils.cpp: At global scope: typemap_utils.cpp:115:18: warning: 'PyObject* py_volume_object()' defined but not used [-Wunused-function] 115 | static PyObject *py_volume_object() { | ^~~~~~~~~~~~~~~~ -libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c mpb-python.cxx -fPIC -DPIC -o _mpb_la-mpb-python.o >/dev/null 2>&1 -/bin/bash ../libtool --tag=CXX --mode=link x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -module -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o _mpb.la -rpath /usr/lib/python3.13/site-packages/meep/mpb _mpb_la-mpb-python.lo ../libpympb/libpympb.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath +/bin/sh ../libtool --tag=CXX --mode=link x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -module -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o _mpb.la -rpath /usr/lib/python3.13/site-packages/meep/mpb _mpb_la-mpb-python.lo ../libpympb/libpympb.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: x86_64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crti.o /usr/lib/gcc/x86_64-linux-gnu/14/crtbeginS.o .libs/_mpb_la-mpb-python.o -Wl,-rpath -Wl,/build/reproducible-path/meep-1.29.0/libpympb/.libs ../libpympb/.libs/libpympb.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lquadmath -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/x86_64-linux-gnu/14/crtendS.o /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -Wl,-soname -Wl,_mpb.so.33 -o .libs/_mpb.so.33.0.0 libtool: link: (cd ".libs" && rm -f "_mpb.so.33" && ln -s "_mpb.so.33.0.0" "_mpb.so.33") libtool: link: (cd ".libs" && rm -f "_mpb.so" && ln -s "_mpb.so.33.0.0" "_mpb.so") @@ -2824,7 +2860,7 @@ libtool: link: x86_64-linux-gnu-ranlib .libs/_mpb.a libtool: link: ( cd ".libs" && rm -f "_mpb.la" && ln -s "../_mpb.la" "_mpb.la" ) libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c meep-python.cxx -fPIC -DPIC -o _meep_la-meep-python.o >/dev/null 2>&1 -/bin/bash ../libtool --tag=CXX --mode=link x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -module -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o _meep.la -rpath /usr/lib/python3.13/site-packages/meep _meep_la-meep-python.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath +/bin/sh ../libtool --tag=CXX --mode=link x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -module -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o _meep.la -rpath /usr/lib/python3.13/site-packages/meep _meep_la-meep-python.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: x86_64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crti.o /usr/lib/gcc/x86_64-linux-gnu/14/crtbeginS.o .libs/_meep_la-meep-python.o -Wl,-rpath -Wl,/build/reproducible-path/meep-1.29.0/src/.libs ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lquadmath -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/x86_64-linux-gnu/14/crtendS.o /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -Wl,-soname -Wl,_meep.so.33 -o .libs/_meep.so.33.0.0 libtool: link: (cd ".libs" && rm -f "_meep.so.33" && ln -s "_meep.so.33.0.0" "_meep.so.33") libtool: link: (cd ".libs" && rm -f "_meep.so" && ln -s "_meep.so.33.0.0" "_meep.so") @@ -2879,94 +2915,94 @@ make aniso_disp bench bragg_transmission convergence_cyl_waveguide cylindrical dump_load flux harmonics integrate known_results near2far one_dimensional physical stress_tensor symmetry three_d two_dimensional 2D_convergence h5test pml pw-source-ll ring-ll cyl-ellipsoid-ll absorber-1d-ll array-slice-ll user-defined-material dft-fields gdsII-3d bend-flux-ll array-metadata make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/tests' x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -DDATADIR=\"./\" -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o aniso_disp.o aniso_disp.cpp -/bin/bash ../libtool --tag=CXX --mode=link x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o 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/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath +/bin/sh ../libtool --tag=CXX --mode=link x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o 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/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o .libs/aniso_disp aniso_disp.o ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -DDATADIR=\"./\" -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o bench.o bench.cpp -/bin/bash ../libtool --tag=CXX --mode=link x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o bench bench.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath +/bin/sh ../libtool --tag=CXX --mode=link x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o bench bench.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o .libs/bench bench.o ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -DDATADIR=\"./\" -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o bragg_transmission.o bragg_transmission.cpp -/bin/bash ../libtool --tag=CXX --mode=link x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o 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/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath +/bin/sh ../libtool --tag=CXX --mode=link x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o 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/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath libtool: link: x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o .libs/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/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib 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-L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/tests' make check-TESTS @@ -3114,1392 +3150,1392 @@ make[2]: *** [Makefile:523: check-recursive] Error 1 make[2]: Leaving directory '/build/reproducible-path/meep-1.29.0' . -./configure.ac +./py-compile +./scheme +./scheme/meep.cpp +./scheme/meep-meep.o +./scheme/meep_swig_bug_workaround.i +./scheme/meep_enum_renames.i +./scheme/meep.scm.in +./scheme/ctl-io.cpp +./scheme/examples +./scheme/examples/group-velocity.ctl +./scheme/examples/metasurface_lens_phasemap.ctl +./scheme/examples/straight-waveguide.ctl +./scheme/examples/cylinder-cross-section.ctl +./scheme/examples/multilevel-atom.ctl +./scheme/examples/parallel-wvgs-mpb.ctl +./scheme/examples/gaussian-beam.ctl +./scheme/examples/antenna-radiation.ctl +./scheme/examples/perturbation-theory-2d.ctl +./scheme/examples/faraday-rotation.ctl +./scheme/examples/differential-cross-section.ctl +./scheme/examples/pw-source.ctl +./scheme/examples/absorbed-power-density.ctl +./scheme/examples/holey-wvg-bands.ctl +./scheme/examples/binary_grating_oblique.ctl +./scheme/examples/refl-angular.ctl +./scheme/examples/binary_grating_n2f.ctl +./scheme/examples/binary_grating.ctl +./scheme/examples/mode-coeffs.ctl +./scheme/examples/oblique-planewave.ctl +./scheme/examples/polarization_grating.ctl +./scheme/examples/chirped-pulse.ctl +./scheme/examples/refl-angular-kz2d.ctl +./scheme/examples/cavity-farfield.ctl +./scheme/examples/finite_grating.ctl +./scheme/examples/refl-quartz.ctl +./scheme/examples/material-dispersion.ctl +./scheme/examples/parallel-wvgs-force.ctl +./scheme/examples/bent-waveguide.ctl +./scheme/examples/3rd-harm-1d.ctl +./scheme/examples/oblique-source.ctl +./scheme/examples/ring.ctl +./scheme/examples/binary_grating_phasemap.ctl +./scheme/examples/metasurface_lens_farfield.ctl +./scheme/examples/metal-cavity-ldos.ctl +./scheme/examples/zone-plate.ctl +./scheme/examples/ring-cyl.ctl +./scheme/examples/wvg_src.ctl +./scheme/examples/mie-scattering.ctl +./scheme/examples/cherenkov-radiation.ctl +./scheme/examples/perturbation-theory.ctl +./scheme/examples/holey-wvg-cavity.ctl +./scheme/examples/stochastic-emitter.ctl +./scheme/examples/mode-decomposition.ctl +./scheme/examples/bend-flux.ctl +./scheme/examples/solve-cw.ctl +./scheme/meep_wrap.cxx.bak +./scheme/casimir.scm +./scheme/meep-ctl-io.o +./scheme/meep +./scheme/ctl-io.i +./scheme/meep.scm +./scheme/meep-geom.o +./scheme/Makefile.in +./scheme/meep_renames.i +./scheme/meep-ctl-const.hpp +./scheme/meep-ctl-swig.hpp +./scheme/meep_wrap.patch +./scheme/materials.scm +./scheme/meep-structure.o +./scheme/meep.i +./scheme/geom.cpp +./scheme/Makefile +./scheme/meep_wrap.cxx.orig +./scheme/Makefile.am +./scheme/structure.cpp +./scheme/meep_wrap.cxx +./scheme/main.cpp +./scheme/meep-ctl.hpp +./scheme/.libs 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+./src/sphere-quad.o +./src/bicgstab.hpp +./src/material_data.o ./src/meep -./src/meep/meep-config.h +./src/meep/mympi.hpp ./src/meep/vec.hpp +./src/meep/meep-config.h ./src/meep/meep-config.h.in -./src/meep/mympi.hpp -./src/bands.o -./src/bicgstab.hpp +./src/h5fields.lo +./src/random.cpp +./src/boundaries.o +./src/loop_in_chunks.cpp +./src/meep.hpp +./src/fields.cpp ./src/fix_boundary_sources.lo -./src/stress.o -./src/fix_boundary_sources.cpp +./src/structure_dump.lo +./src/susceptibility.o +./src/update_eh.lo +./src/integrate.o +./src/dft_ldos.o +./src/Makefile.in ./src/initialize.o -./src/dft.cpp -./src/structure_dump.cpp +./src/cw_fields.lo +./src/array_slice.o +./src/meepgeom.hpp +./src/step_generic.lo +./src/bands.o +./src/structure_dump.o +./src/GDSIIgeom.cpp +./src/fields.o ./src/update_pols.o -./src/step_generic.o -./src/dft.o +./src/update_eh.cpp +./src/susceptibility.lo +./src/array_slice.cpp +./src/fields_dump.cpp +./src/anisotropic_averaging.o +./src/bicgstab.o +./src/initialize.cpp ./src/support +./src/support/mt19937ar.c +./src/support/mt19937ar.o ./src/support/Makefile.in -./src/support/Makefile +./src/support/meep_mt.h ./src/support/mt19937ar.lo -./src/support/mt19937ar.o +./src/support/Makefile +./src/support/Makefile.am +./src/support/libsupport.la ./src/support/.libs -./src/support/.libs/libsupport.a ./src/support/.libs/mt19937ar.o +./src/support/.libs/libsupport.a ./src/support/.libs/libsupport.la -./src/support/Makefile.am -./src/support/meep_mt.h -./src/support/libsupport.la -./src/support/mt19937ar.c +./src/array_slice.lo +./src/sources.cpp +./src/loop_in_chunks.o +./src/near2far.lo +./src/dft_ldos.lo +./src/bands.lo +./src/output_directory.o +./src/material_data.hpp +./src/bicgstab.lo +./src/mpb.cpp +./src/sphere-quad.cpp +./src/fields.lo +./src/structure.lo +./src/update_pols.cpp +./src/step_generic_stride1.o +./src/output_directory.lo +./src/monitor.o +./src/Makefile ./src/multilevel-atom.cpp -./src/integrate.o -./src/h5file.cpp -./src/sphere-quad.h -./src/meepgeom.lo -./src/sources.lo -./src/step.o -./src/energy_and_flux.cpp -./src/integrate.lo -./src/energy_and_flux.o +./src/casimir.o +./src/sources.o +./src/h5fields.o +./src/h5file.lo +./src/structure_dump.cpp +./src/Makefile.am +./src/meepgeom.cpp +./src/boundaries.lo ./src/vec.cpp -./src/bands.lo +./src/step_db.cpp +./src/integrate.lo +./src/sphere_quad +./src/fields_dump.lo +./src/structure.o +./src/step_generic.o ./src/boundaries.cpp -./src/boundaries.lo -./src/energy_and_flux.lo -./src/output_directory.cpp -./src/material_data.cpp +./src/GDSIIgeom.lo +./src/integrate2.o +./src/step.o +./src/structure.cpp +./src/step_generic_stride1.cpp +./src/step_generic_stride1.lo +./src/cw_fields.cpp +./src/GDSIIgeom.o +./src/mympi.cpp +./src/step.cpp +./src/stress.o +./src/integrate.cpp +./src/step.lo +./src/fix_boundary_sources.cpp ./src/integrate2.lo -./src/libmeep.la -./src/susceptibility.cpp -./src/h5fields.o -./src/material_data.o +./src/stress.lo +./src/step_db.o +./src/monitor.lo +./src/time.lo +./src/anisotropic_averaging.cpp +./src/energy_and_flux.cpp +./src/fields_dump.o +./src/anisotropic_averaging.lo +./src/h5fields.cpp +./src/random.o +./src/h5file.o +./src/energy_and_flux.lo +./src/multilevel-atom.o ./src/.libs -./src/.libs/cw_fields.o -./src/.libs/sources.o -./src/.libs/boundaries.o -./src/.libs/random.o -./src/.libs/output_directory.o -./src/.libs/mpb.o -./src/.libs/libmeep.a -./src/.libs/libmeep.so -./src/.libs/fields_dump.o -./src/.libs/step_db.o -./src/.libs/near2far.o -./src/.libs/structure_dump.o -./src/.libs/multilevel-atom.o -./src/.libs/time.o -./src/.libs/fix_boundary_sources.o -./src/.libs/update_eh.o -./src/.libs/structure.o -./src/.libs/h5file.o ./src/.libs/vec.o -./src/.libs/GDSIIgeom.o -./src/.libs/bands.o -./src/.libs/stress.o -./src/.libs/initialize.o -./src/.libs/update_pols.o -./src/.libs/step_generic.o ./src/.libs/dft.o -./src/.libs/libmeep.so.33.0.0 -./src/.libs/integrate.o -./src/.libs/step.o ./src/.libs/energy_and_flux.o -./src/.libs/libmeep.la -./src/.libs/h5fields.o -./src/.libs/libmeep.so.33 +./src/.libs/update_eh.o +./src/.libs/time.o ./src/.libs/material_data.o +./src/.libs/boundaries.o +./src/.libs/susceptibility.o +./src/.libs/integrate.o ./src/.libs/dft_ldos.o -./src/.libs/casimir.o +./src/.libs/initialize.o ./src/.libs/array_slice.o -./src/.libs/integrate2.o -./src/.libs/anisotropic_averaging.o +./src/.libs/bands.o +./src/.libs/structure_dump.o ./src/.libs/fields.o -./src/.libs/susceptibility.o +./src/.libs/update_pols.o +./src/.libs/anisotropic_averaging.o +./src/.libs/bicgstab.o ./src/.libs/loop_in_chunks.o -./src/.libs/libmeep.lai +./src/.libs/output_directory.o ./src/.libs/step_generic_stride1.o -./src/.libs/bicgstab.o +./src/.libs/monitor.o +./src/.libs/casimir.o +./src/.libs/sources.o +./src/.libs/h5fields.o +./src/.libs/libmeep.lai +./src/.libs/structure.o +./src/.libs/step_generic.o +./src/.libs/libmeep.so.33.0.0 +./src/.libs/integrate2.o +./src/.libs/step.o +./src/.libs/GDSIIgeom.o +./src/.libs/stress.o +./src/.libs/step_db.o +./src/.libs/fields_dump.o +./src/.libs/random.o +./src/.libs/h5file.o +./src/.libs/multilevel-atom.o ./src/.libs/meepgeom.o +./src/.libs/cw_fields.o +./src/.libs/libmeep.so.33 ./src/.libs/mympi.o -./src/.libs/monitor.o -./src/dft_ldos.o -./src/GDSIIgeom.lo -./src/material_data.lo -./src/integrate.cpp -./src/casimir.o -./src/array_slice.o -./src/anisotropic_averaging.lo -./src/integrate2.o -./src/anisotropic_averaging.o -./src/cw_fields.cpp -./src/casimir.lo -./src/fields.cpp -./src/h5fields.lo -./src/stress.cpp +./src/.libs/libmeep.so +./src/.libs/fix_boundary_sources.o +./src/.libs/libmeep.la +./src/.libs/mpb.o +./src/.libs/near2far.o +./src/.libs/libmeep.a +./src/bands.cpp +./src/meepgeom.o +./src/cw_fields.o +./src/bicgstab.cpp ./src/update_pols.lo -./src/dft_ldos.lo -./src/fields.o -./src/Makefile.am -./src/initialize.lo -./src/step.cpp -./src/sphere-quad.o -./src/integrate2.cpp -./src/loop_in_chunks.cpp -./src/output_directory.lo -./src/array_slice.cpp -./src/step_db.lo -./src/cw_fields.lo -./src/mpb.lo -./src/material_data.hpp -./src/array_slice.lo -./src/dft_ldos.cpp -./src/step_generic.cpp -./src/susceptibility.o -./src/loop_in_chunks.o +./src/random.lo +./src/mympi.o +./src/material_data.cpp ./src/meep_internals.hpp -./src/stress.lo -./src/step_generic_stride1.o -./src/update_pols.cpp -./src/meepgeom.cpp -./src/sphere_quad -./src/monitor.lo -./src/near2far.cpp -./src/anisotropic_averaging.cpp -./src/bicgstab.o -./src/h5fields.cpp +./src/time.cpp +./src/multilevel-atom.lo +./src/fix_boundary_sources.o +./src/libmeep.la ./src/vec.lo -./src/structure_dump.lo -./src/meepgeom.o -./src/dft.lo -./src/bicgstab.lo -./src/mympi.o -./src/sources.cpp -./src/monitor.o -./test-driver -./install-sh -./.mailmap -./codecov.yml -./Makefile.am -./NEWS.md -./depcomp -./mkdocs.yml -./meep-pkgconfig.in -./stamp-h1 -./.readthedocs.yaml -./.pre-commit-config.yaml -./.sourcery.yaml -./README.md -./scheme -./scheme/meep_swig_bug_workaround.i -./scheme/meep.scm.in -./scheme/meep_wrap.cxx -./scheme/structure.cpp -./scheme/meep-ctl-io.o -./scheme/ctl-io.h -./scheme/Makefile.in -./scheme/meep-ctl-const.hpp -./scheme/meep-ctl.hpp -./scheme/meep-geom.o -./scheme/meep_wrap.patch -./scheme/Makefile -./scheme/meep_wrap.cxx.orig -./scheme/meep -./scheme/geom.cpp -./scheme/materials.scm -./scheme/meep_wrap.cxx.bak -./scheme/meep-enums.scm -./scheme/meep-meep.o -./scheme/ctl-io.i -./scheme/casimir.scm -./scheme/meep.scm -./scheme/meep-main.o -./scheme/.libs -./scheme/.libs/meep -./scheme/meep_op_renames.i -./scheme/examples -./scheme/examples/metal-cavity-ldos.ctl -./scheme/examples/wvg_src.ctl -./scheme/examples/differential-cross-section.ctl -./scheme/examples/cherenkov-radiation.ctl -./scheme/examples/holey-wvg-bands.ctl -./scheme/examples/perturbation-theory.ctl -./scheme/examples/oblique-source.ctl -./scheme/examples/holey-wvg-cavity.ctl -./scheme/examples/binary_grating.ctl -./scheme/examples/metasurface_lens_farfield.ctl -./scheme/examples/gaussian-beam.ctl -./scheme/examples/metasurface_lens_phasemap.ctl -./scheme/examples/polarization_grating.ctl -./scheme/examples/multilevel-atom.ctl -./scheme/examples/binary_grating_phasemap.ctl -./scheme/examples/ring.ctl -./scheme/examples/perturbation-theory-2d.ctl -./scheme/examples/finite_grating.ctl -./scheme/examples/binary_grating_n2f.ctl -./scheme/examples/straight-waveguide.ctl -./scheme/examples/ring-cyl.ctl -./scheme/examples/pw-source.ctl -./scheme/examples/antenna-radiation.ctl -./scheme/examples/absorbed-power-density.ctl -./scheme/examples/mode-coeffs.ctl -./scheme/examples/mie-scattering.ctl -./scheme/examples/solve-cw.ctl -./scheme/examples/chirped-pulse.ctl -./scheme/examples/faraday-rotation.ctl -./scheme/examples/oblique-planewave.ctl -./scheme/examples/binary_grating_oblique.ctl -./scheme/examples/refl-angular.ctl -./scheme/examples/bent-waveguide.ctl -./scheme/examples/refl-quartz.ctl -./scheme/examples/cylinder-cross-section.ctl -./scheme/examples/mode-decomposition.ctl -./scheme/examples/bend-flux.ctl -./scheme/examples/material-dispersion.ctl -./scheme/examples/3rd-harm-1d.ctl -./scheme/examples/parallel-wvgs-mpb.ctl -./scheme/examples/stochastic-emitter.ctl -./scheme/examples/group-velocity.ctl -./scheme/examples/zone-plate.ctl -./scheme/examples/parallel-wvgs-force.ctl -./scheme/examples/cavity-farfield.ctl -./scheme/examples/refl-angular-kz2d.ctl -./scheme/meep_renames.i -./scheme/meep-meep_wrap.o -./scheme/Makefile.am -./scheme/meep.cpp -./scheme/meep-structure.o -./scheme/ctl-io.cpp -./scheme/meep-ctl-swig.hpp -./scheme/meep_enum_renames.i -./scheme/meep.i -./scheme/main.cpp +./src/mpb.o +./src/step_generic.cpp +./src/dft_ldos.cpp +./src/near2far.o +./src/output_directory.cpp +./debian +./debian/control +./debian/meep.install +./debian/watch +./debian/README.source +./debian/meep.manpages +./debian/changelog +./debian/libmeep33.lintian-overrides +./debian/meep.1 +./debian/rules +./debian/meep.docs +./debian/python3-meep.postinst +./debian/libmeep33.install +./debian/patches +./debian/patches/python-distutils.patch +./debian/patches/i386-fix.patch +./debian/patches/series +./debian/.debhelper +./debian/.debhelper/generated +./debian/.debhelper/generated/_source +./debian/.debhelper/generated/_source/home +./debian/.debhelper/generated/_source/home/.cache +./debian/.debhelper/generated/_source/home/.cache/guile +./debian/.debhelper/generated/_source/home/.cache/guile/ccache +./debian/.debhelper/generated/_source/home/.cache/guile/ccache/3.0-LE-8-4.7 +./debian/.debhelper/generated/_source/home/.cache/guile/ccache/3.0-LE-8-4.7/usr +./debian/.debhelper/generated/_source/home/.cache/guile/ccache/3.0-LE-8-4.7/usr/share +./debian/.debhelper/generated/_source/home/.cache/guile/ccache/3.0-LE-8-4.7/usr/share/libctl +./debian/.debhelper/generated/_source/home/.cache/guile/ccache/3.0-LE-8-4.7/usr/share/libctl/base +./debian/.debhelper/generated/_source/home/.cache/guile/ccache/3.0-LE-8-4.7/usr/share/libctl/base/include.scm.go +./debian/autoreconf.before +./debian/autoreconf.after +./debian/docs +./debian/python3-meep.install +./debian/upstream +./debian/upstream/metadata +./debian/python3-meep.prerm +./debian/libmeep-dev.install +./debian/copyright +./debian/source +./debian/source/format +./debian/source/lintian-overrides +./debian/missing-sources +./debian/missing-sources/modernizr-2.8.3.js +./debian/missing-sources/highlight.js +./debian/missing-sources/jquery-2.1.1.js +./add_type_hints.xonsh ./libpympb ./libpympb/libpympb_la-pympb.o ./libpympb/Makefile.in -./libpympb/pympb.hpp ./libpympb/libpympb_la-pympb.lo ./libpympb/Makefile -./libpympb/libpympb.la +./libpympb/Makefile.am +./libpympb/pympb.cpp ./libpympb/.libs +./libpympb/.libs/libpympb.so.33 +./libpympb/.libs/libpympb.so.33.0.0 ./libpympb/.libs/libpympb_la-pympb.o -./libpympb/.libs/libpympb.lai -./libpympb/.libs/libpympb.so ./libpympb/.libs/libpympb.a -./libpympb/.libs/libpympb.so.33.0.0 +./libpympb/.libs/libpympb.so +./libpympb/.libs/libpympb.lai ./libpympb/.libs/libpympb.la -./libpympb/.libs/libpympb.so.33 -./libpympb/Makefile.am -./libpympb/pympb.cpp -./configure -./aclocal.m4 -./contrib -./contrib/build-meep.sh +./libpympb/pympb.hpp +./libpympb/libpympb.la +./stamp-h1 +./codecov.yml +./.clang-format +./.flake8 +./compile +./.gitattributes +./COPYRIGHT +./.pc +./.pc/python-distutils.patch +./.pc/python-distutils.patch/python +./.pc/python-distutils.patch/python/visualization.py +./.pc/python-distutils.patch/doc +./.pc/python-distutils.patch/doc/docs +./.pc/python-distutils.patch/doc/docs/setup.py +./.pc/python-distutils.patch/configure.ac +./.pc/.quilt_patches +./.pc/applied-patches +./.pc/.quilt_series +./.pc/.version +./.pre-commit-config.yaml +./configure.ac ======================================== meep 1.29.0: python/test-suite.log ======================================== @@ -4512,7 +4548,7 @@ # XPASS: 0 # ERROR: 0 -System information (uname -a): Linux 6.1.0-32-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.1.129-1 (2025-03-06) x86_64 +System information (uname -a): Linux 6.12.12+bpo-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.12.12-1~bpo12+1 (2025-02-23) x86_64 Distribution information (/etc/os-release): PRETTY_NAME="Debian GNU/Linux trixie/sid" NAME="Debian GNU/Linux" @@ -4527,7 +4563,7 @@ FAIL: tests/test_adjoint_solver =============================== -Matplotlib created a temporary cache directory at /tmp/matplotlib-7_vayu3n 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-n_3zi4hd because the default path (/nonexistent/second-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_adjoint_solver.py", line 4, in import meep.adjoint as mpa @@ -4548,13 +4584,13 @@ from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' -Elapsed run time = 0.5185 s +Elapsed run time = 1.7063 s FAIL tests/test_adjoint_solver.py (exit status: 1) FAIL: tests/test_adjoint_utils ============================== -Matplotlib created a temporary cache directory at /tmp/matplotlib-jr06k15z 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-qqual2rv because the default path (/nonexistent/second-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_adjoint_utils.py", line 11, in import meep.adjoint as mpa @@ -4575,13 +4611,13 @@ from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' -Elapsed run time = 0.3830 s +Elapsed run time = 5.9048 s FAIL tests/test_adjoint_utils.py (exit status: 1) FAIL: tests/test_adjoint_cyl ============================ -Matplotlib created a temporary cache directory at /tmp/matplotlib-77dkrgc8 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-y9rbhnpn because the default path (/nonexistent/second-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_adjoint_cyl.py", line 4, in import meep.adjoint as mpa @@ -4602,7 +4638,7 @@ from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' -Elapsed run time = 0.3953 s +Elapsed run time = 4.2293 s FAIL tests/test_adjoint_cyl.py (exit status: 1) FAIL: tests/test_adjoint_jax @@ -4617,13 +4653,14 @@ FAIL: tests/test_binary_partition_utils ======================================= -Matplotlib created a temporary cache directory at /tmp/matplotlib-vsyla0m5 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-2147cq1s 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. +Matplotlib is building the font cache; this may take a moment. Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_binary_partition_utils.py", line 6, in import parameterized ModuleNotFoundError: No module named 'parameterized' -Elapsed run time = 0.0063 s +Elapsed run time = 0.0183 s FAIL tests/test_binary_partition_utils.py (exit status: 1) FAIL: tests/test_binary_grating @@ -4638,19 +4675,19 @@ FAIL: tests/test_chunk_balancer =============================== -Matplotlib created a temporary cache directory at /tmp/matplotlib-d9aj6ch4 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-ofrs2vif because the default path (/nonexistent/second-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_chunk_balancer.py", line 5, in import parameterized ModuleNotFoundError: No module named 'parameterized' -Elapsed run time = 0.0017 s +Elapsed run time = 0.0023 s FAIL tests/test_chunk_balancer.py (exit status: 1) FAIL: tests/test_get_epsilon_grid ================================= -Matplotlib created a temporary cache directory at /tmp/matplotlib-em230a4q 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-cmfdvrcq because the default path (/nonexistent/second-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_get_epsilon_grid.py", line 3, in import meep.adjoint as mpa @@ -4660,13 +4697,13 @@ from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' -Elapsed run time = 0.5451 s +Elapsed run time = 2.0149 s FAIL tests/test_get_epsilon_grid.py (exit status: 1) FAIL: tests/test_material_grid ============================== -Matplotlib created a temporary cache directory at /tmp/matplotlib-kx8kv49t 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-0z1tv7n_ because the default path (/nonexistent/second-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_material_grid.py", line 4, in import meep.adjoint as mpa @@ -4687,15 +4724,15 @@ from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' -Elapsed run time = 0.4010 s +Elapsed run time = 1.4020 s FAIL tests/test_material_grid.py (exit status: 1) FAIL: tests/test_mpb ==================== -Matplotlib created a temporary cache directory at /tmp/matplotlib-trax_ltk 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-7wgrtoz7 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/meepNmMUdV/test_anisotropic_2d_gap-0 +/tmp/meep1SOGmO/test_anisotropic_2d_gap-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -4738,7 +4775,7 @@ 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: 0.006949186325073242 +elapsed time for initialization: 0.00312042236328125 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... @@ -4849,7 +4886,7 @@ iteration 52: trace = 0.8320200571439169 (6.4797e-11% change) Finished solving for bands 3 to 8 after 52 iterations. freqs:, 1, 0, 0, 0, 0, 0, 0, 0.318992, 0.365115, 0.370143, 0.370147, 0.401833, 0.401833 -elapsed time for k point: 0.436861515045166 +elapsed time for k point: 0.6510922908782959 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -4944,7 +4981,7 @@ iteration 45: trace = 0.830531883834597 (5.1746e-11% change) Finished solving for bands 1 to 8 after 45 iterations. freqs:, 2, 0.1, 0, 0, 0.1, 0.0367937, 0.049071, 0.308902, 0.358341, 0.370542, 0.38729, 0.392077, 0.402396 -elapsed time for k point: 0.4683699607849121 +elapsed time for k point: 0.8495223522186279 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. @@ -5037,7 +5074,7 @@ iteration 44: trace = 0.8299239457452545 (6.27534e-11% change) Finished solving for bands 1 to 8 after 44 iterations. freqs:, 3, 0.2, 0, 0, 0.2, 0.0730357, 0.0965491, 0.285819, 0.360073, 0.368932, 0.371597, 0.403894, 0.408164 -elapsed time for k point: 0.6259644031524658 +elapsed time for k point: 0.7425096035003662 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -5138,7 +5175,7 @@ iteration 48: trace = 0.828280840667424 (4.63508e-11% change) Finished solving for bands 1 to 8 after 48 iterations. freqs:, 4, 0.3, 0, 0, 0.3, 0.107851, 0.140336, 0.25846, 0.340653, 0.367325, 0.372946, 0.405794, 0.418837 -elapsed time for k point: 0.6956055164337158 +elapsed time for k point: 0.94808030128479 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. @@ -5221,7 +5258,7 @@ iteration 39: trace = 0.819574626229673 (5.83982e-11% change) Finished solving for bands 1 to 8 after 39 iterations. freqs:, 5, 0.4, 0, 0, 0.4, 0.1388, 0.176103, 0.23164, 0.313843, 0.374076, 0.377706, 0.407374, 0.410603 -elapsed time for k point: 0.9072957038879395 +elapsed time for k point: 0.8331882953643799 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -5298,7 +5335,7 @@ iteration 36: trace = 0.8152593107299856 (8.53034e-11% change) Finished solving for bands 1 to 8 after 36 iterations. freqs:, 6, 0.5, 0, 0, 0.5, 0.154816, 0.192048, 0.216968, 0.300856, 0.374518, 0.385777, 0.401594, 0.407988 -elapsed time for k point: 0.4419393539428711 +elapsed time for k point: 1.135352611541748 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -5379,7 +5416,7 @@ iteration 38: trace = 0.8101088212743903 (5.41195e-11% change) Finished solving for bands 1 to 8 after 38 iterations. freqs:, 7, 0.5, 0.1, 0, 0.509902, 0.15975, 0.195136, 0.218441, 0.305033, 0.358789, 0.391555, 0.402172, 0.402445 -elapsed time for k point: 0.5775744915008545 +elapsed time for k point: 3.399646282196045 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -5458,7 +5495,7 @@ iteration 37: trace = 0.8027830712683007 (5.80155e-11% change) Finished solving for bands 1 to 8 after 37 iterations. freqs:, 8, 0.5, 0.2, 0, 0.538516, 0.173344, 0.203625, 0.222584, 0.316302, 0.340088, 0.36862, 0.387671, 0.424089 -elapsed time for k point: 0.4970245361328125 +elapsed time for k point: 0.22104644775390625 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -5539,7 +5576,7 @@ iteration 38: trace = 0.8027156837865845 (5.42584e-11% change) Finished solving for bands 1 to 8 after 38 iterations. freqs:, 9, 0.5, 0.3, 0, 0.583095, 0.192437, 0.215224, 0.228468, 0.323728, 0.33113, 0.341965, 0.37019, 0.4458 -elapsed time for k point: 0.4075968265533447 +elapsed time for k point: 0.21102499961853027 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -5628,7 +5665,7 @@ iteration 42: trace = 0.8111283942460432 (9.43746e-11% change) Finished solving for bands 1 to 8 after 42 iterations. freqs:, 10, 0.5, 0.4, 0, 0.640312, 0.21184, 0.226, 0.234179, 0.311757, 0.318108, 0.344193, 0.3555, 0.465942 -elapsed time for k point: 0.5479404926300049 +elapsed time for k point: 0.27628445625305176 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -5740,7 +5777,7 @@ iteration 53: trace = 0.8190722270473992 (9.58991e-11% change) Finished solving for bands 1 to 8 after 53 iterations. freqs:, 11, 0.5, 0.5, 0, 0.707107, 0.221357, 0.230619, 0.236708, 0.307149, 0.30715, 0.349538, 0.349539, 0.477307 -elapsed time for k point: 0.6345422267913818 +elapsed time for k point: 0.42260050773620605 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -5834,7 +5871,7 @@ iteration 44: trace = 0.809011111637009 (7.55874e-11% change) Finished solving for bands 1 to 8 after 44 iterations. freqs:, 12, 0.4, 0.4, 0, 0.565685, 0.19918, 0.2202, 0.239097, 0.309959, 0.330944, 0.347653, 0.354078, 0.460272 -elapsed time for k point: 0.7907288074493408 +elapsed time for k point: 0.512394905090332 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -5907,7 +5944,7 @@ iteration 34: trace = 0.8101014661646309 (5.19136e-11% change) Finished solving for bands 1 to 8 after 34 iterations. freqs:, 13, 0.3, 0.3, 0, 0.424264, 0.153826, 0.186625, 0.253882, 0.318156, 0.351842, 0.366269, 0.371004, 0.436281 -elapsed time for k point: 0.5740935802459717 +elapsed time for k point: 0.31578898429870605 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 7 iterations. @@ -5994,7 +6031,7 @@ iteration 41: trace = 0.8249014819373074 (9.02955e-11% change) Finished solving for bands 1 to 8 after 41 iterations. freqs:, 14, 0.2, 0.2, 0, 0.282843, 0.103673, 0.133382, 0.276682, 0.331086, 0.368234, 0.382194, 0.398022, 0.412434 -elapsed time for k point: 1.276146650314331 +elapsed time for k point: 0.29138875007629395 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. @@ -6075,7 +6112,7 @@ iteration 38: trace = 0.8293598597555062 (6.99311e-11% change) Finished solving for bands 1 to 8 after 38 iterations. freqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0520822, 0.0690311, 0.302853, 0.347811, 0.385316, 0.389474, 0.390006, 0.396139 -elapsed time for k point: 2.572829008102417 +elapsed time for k point: 0.6850721836090088 solve_kpoint (0,0,0): Solving for bands 3 to 8... linmin: converged after 4 iterations. @@ -6160,7 +6197,7 @@ iteration 40: trace = 0.8320200571443126 (8.05559e-11% change) Finished solving for bands 3 to 8 after 40 iterations. freqs:, 16, 0, 0, 0, 0, 0, 0, 0.318992, 0.365115, 0.370143, 0.370147, 0.401833, 0.401833 -..elapsed time for k point: 0.7968893051147461 +..elapsed time for k point: 0.5377962589263916 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.22135702280024663 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2306191582641471 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.2169677695447459 at Vector3<0.5, 0.0, 0.0> to 0.31899247656855334 at Vector3<0.0, 0.0, 0.0> @@ -6169,15 +6206,15 @@ Band 6 range: 0.34196472550762014 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.3915546844259556 at Vector3<0.5, 0.1, 0.0> Band 7 range: 0.3495385376612383 at Vector3<0.5, 0.5, 0.0> to 0.4073736001230435 at Vector3<0.4, 0.0, 0.0> Band 8 range: 0.39613882331011147 at Vector3<0.09999999999999998, 0.09999999999999998, 0.0> to 0.4773065722591571 at Vector3<0.5, 0.5, 0.0> -total elapsed time for run: 12.265280961990356 +total elapsed time for run: 12.056028366088867 done -/tmp/meepNmMUdV/test_anisotropic_2d_gap-0: 12.27s +/tmp/meep1SOGmO/test_anisotropic_2d_gap-0: 12.08s -/tmp/meepNmMUdV/test_attribute_accessors-0 +/tmp/meep1SOGmO/test_attribute_accessors-0 ======================== -/tmp/meepNmMUdV/test_attribute_accessors-0: 0.00s +/tmp/meep1SOGmO/test_attribute_accessors-0: 0.01s -/tmp/meepNmMUdV/test_bragg-0 +/tmp/meep1SOGmO/test_bragg-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -6205,7 +6242,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.0, 0.0> -elapsed time for initialization: 0.0006062984466552734 +elapsed time for initialization: 0.0003752708435058594 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... @@ -6217,7 +6254,7 @@ linmin: converged after 8 iterations. iteration 3: trace = 18.80241121676355 (5.29053% change) linmin: converged after 9 iterations. - switching to approximate line minimization (decrease time by 53.8211%) + switching to approximate line minimization (decrease time by 56.1644%) iteration 4: trace = 18.64391851739208 (0.846506% change) iteration 5: trace = 18.63017879178811 (0.0737226% change) iteration 6: trace = 18.62916087316935 (0.00546396% change) @@ -6231,14 +6268,14 @@ iteration 14: trace = 18.62908769486296 (5.15293e-11% change) Finished solving for bands 1 to 8 after 14 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: 0.008147001266479492 -total elapsed time for run: 0.008925437927246094 +elapsed time for k point: 0.01853656768798828 +total elapsed time for run: 0.019080162048339844 done Fixing h-field (band 8) phase by 0.909549 + -0.415598i; max ampl. = 1.96664 -.Outputting fields to /tmp/meepNmMUdV/test_bragg-0-h.k01.b08.y.tm.h5... -/tmp/meepNmMUdV/test_bragg-0: 0.03s +.Outputting fields to /tmp/meep1SOGmO/test_bragg-0-h.k01.b08.y.tm.h5... +/tmp/meep1SOGmO/test_bragg-0: 0.08s -/tmp/meepNmMUdV/test_bragg_sine-0 +/tmp/meep1SOGmO/test_bragg_sine-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -6274,7 +6311,7 @@ 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: 0.011955738067626953 +elapsed time for initialization: 0.02265477180480957 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... @@ -6292,388 +6329,386 @@ linmin: converged after 6 iterations. iteration 6: trace = 11.08249596623342 (0.00433692% change) linmin: converged after 8 iterations. - switching to approximate line minimization (decrease time by 52.7473%) + switching to approximate line minimization (decrease time by 53.3632%) iteration 7: trace = 11.08219937792932 (0.00267622% change) iteration 8: trace = 11.080392850722 (0.0163025% change) iteration 9: trace = 11.07371100354852 (0.0603215% change) iteration 10: trace = 11.07251024800463 (0.0108439% change) iteration 11: trace = 11.07220229832265 (0.00278125% change) iteration 12: trace = 11.07213750357019 (0.000585204% change) - switching back to exact line minimization iteration 13: trace = 11.07212372583534 (0.000124436% change) - linmin: converged after 5 iterations. - iteration 14: trace = 11.07210662373079 (0.000154461% change) - large trace change predicted (0.000904444%) - linmin: converged after 6 iterations. - iteration 15: trace = 11.07200625199324 (0.000906532% change) - large trace change predicted (0.00193796%) - linmin: converged after 8 iterations. - iteration 16: trace = 11.07178910989817 (0.0019612% change) + switching back to exact line minimization + iteration 14: trace = 11.07210662375196 (0.000154461% change) + large trace change predicted (0.000905068%) linmin: converged after 6 iterations. - switching to approximate line minimization (decrease time by 56.7647%) - iteration 17: trace = 11.07169614354567 (0.000839672% change) + iteration 15: trace = 11.07200618349948 (0.000907151% change) + large trace change predicted (0.00193699%) + linmin: converged after 9 iterations. + switching to approximate line minimization (decrease time by 54.0773%) + iteration 16: trace = 11.07178914946535 (0.00196022% change) + iteration 17: trace = 11.07169621775836 (0.000839359% change) + iteration 18: trace = 11.07168091706638 (0.000138197% change) + iteration 19: trace = 11.0716793859197 (1.38294e-05% change) + iteration 20: trace = 11.07167916850943 (1.96366e-06% change) + iteration 21: trace = 11.07167902159653 (1.32693e-06% change) + iteration 22: trace = 11.07167856162516 (4.15449e-06% change) + iteration 23: trace = 11.07167721185297 (1.21912e-05% change) + iteration 24: trace = 11.07167522849961 (1.79138e-05% change) + iteration 25: trace = 11.07167460675642 (5.61562e-06% change) + iteration 26: trace = 11.07167456254965 (3.99278e-07% change) + iteration 27: trace = 11.07167455881735 (3.37103e-08% change) + iteration 28: trace = 11.07167455734364 (1.33106e-08% change) + iteration 29: trace = 11.07167455522665 (1.91207e-08% change) + iteration 30: trace = 11.07167454535154 (8.91926e-08% change) + iteration 31: trace = 11.07167452493847 (1.84372e-07% change) + iteration 32: trace = 11.07167451603723 (8.03965e-08% change) switching back to exact line minimization - iteration 18: trace = 11.07168119487405 (0.000135017% change) - linmin: converged after 5 iterations. - iteration 19: trace = 11.07167967432562 (1.37337e-05% change) - linmin: converged after 4 iterations. - iteration 20: trace = 11.07167945051098 (2.02151e-06% change) + iteration 33: trace = 11.07167451421681 (1.64421e-08% change) linmin: converged after 4 iterations. - iteration 21: trace = 11.07167929505452 (1.40409e-06% change) - large trace change predicted (4.38751e-06%) - linmin: converged after 8 iterations. - switching to approximate line minimization (decrease time by 50.3968%) - iteration 22: trace = 11.07167880926209 (4.3877e-06% change) - switching back to exact line minimization - iteration 23: trace = 11.07167737785909 (1.29285e-05% change) - linmin: converged after 5 iterations. - iteration 24: trace = 11.07167529156515 (1.88435e-05% change) - linmin: converged after 5 iterations. - iteration 25: trace = 11.07167461781578 (6.08534e-06% change) + iteration 34: trace = 11.07167451395743 (2.34275e-09% change) linmin: converged after 4 iterations. - iteration 26: trace = 11.07167456835154 (4.46764e-07% change) - linmin: converged after 5 iterations. - iteration 27: trace = 11.07167456420247 (3.74747e-08% change) - linmin: converged after 10 iterations. - switching to approximate line minimization (decrease time by 53.0249%) - iteration 28: trace = 11.07167456258468 (1.46119e-08% change) - iteration 29: trace = 11.07167456023996 (2.11777e-08% change) - iteration 30: trace = 11.07167454952975 (9.67352e-08% change) - iteration 31: trace = 11.0716745265655 (2.07414e-07% change) - iteration 32: trace = 11.07167451642746 (9.15674e-08% change) - iteration 33: trace = 11.07167451433561 (1.88937e-08% change) - switching back to exact line minimization - iteration 34: trace = 11.07167451401479 (2.89764e-09% change) + iteration 35: trace = 11.07167451393666 (1.87572e-10% change) linmin: converged after 3 iterations. - iteration 35: trace = 11.07167451399135 (2.11751e-10% change) - linmin: converged after 4 iterations. - iteration 36: trace = 11.07167451397456 (1.51649e-10% change) - large trace change predicted (7.13883e-10%) - linmin: converged after 4 iterations. - iteration 37: trace = 11.07167451389748 (6.9614e-10% change) - large trace change predicted (1.63088e-09%) - linmin: converged after 5 iterations. - iteration 38: trace = 11.07167451371534 (1.64509e-09% change) + iteration 36: trace = 11.07167451392166 (1.35445e-10% change) + large trace change predicted (6.56809e-10%) linmin: converged after 3 iterations. - iteration 39: trace = 11.07167451354861 (1.50594e-09% change) + iteration 37: trace = 11.07167451384875 (6.58548e-10% change) + large trace change predicted (1.52429e-09%) linmin: converged after 4 iterations. - iteration 40: trace = 11.07167451350041 (4.35358e-10% change) + iteration 38: trace = 11.07167451368051 (1.51959e-09% change) + linmin: converged after 3 iterations. + iteration 39: trace = 11.07167451353816 (1.28567e-09% change) linmin: converged after 3 iterations. - iteration 41: trace = 11.07167451349703 (3.0532e-11% change) + iteration 40: trace = 11.07167451350002 (3.44532e-10% change) + linmin: converged after 5 iterations. + iteration 41: trace = 11.07167451349801 (1.80978e-11% change) Finished solving for bands 2 to 8 after 41 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: 0.023462533950805664 +elapsed time for k point: 0.03508424758911133 solve_kpoint (0.05,0,0): Solving for bands 1 to 8... linmin: converged after 9 iterations. - iteration 1: trace = 11.04205676362264 (0.320418% change) - linmin: converged after 9 iterations. - switching to approximate line minimization (decrease time by 52.9586%) - iteration 2: trace = 11.02779426292185 (0.129249% change) - iteration 3: trace = 11.02770548830118 (0.000805011% change) + iteration 1: trace = 11.04205678686951 (0.320419% change) + linmin: converged after 16 iterations. + switching to approximate line minimization (decrease time by 64.4958%) + iteration 2: trace = 11.0277943067262 (0.129249% change) + iteration 3: trace = 11.02770553116285 (0.00080502% change) switching back to exact line minimization - large trace change predicted (0.0932976%) + large trace change predicted (0.093298%) linmin: converged after 10 iterations. - iteration 4: trace = 11.01806805974838 (0.0874311% change) + iteration 4: trace = 11.01806815073298 (0.0874306% change) linmin: converged after 6 iterations. - iteration 5: trace = 11.01664461758451 (0.01292% change) + iteration 5: trace = 11.01664470903907 (0.01292% change) linmin: converged after 8 iterations. - iteration 6: trace = 11.0154040894937 (0.0112611% change) - linmin: converged after 11 iterations. - iteration 7: trace = 11.01433970763716 (0.00966313% change) + iteration 6: trace = 11.01540418091446 (0.0112611% change) + linmin: converged after 7 iterations. + iteration 7: trace = 11.0143398751992 (0.00966244% change) linmin: converged after 6 iterations. - iteration 8: trace = 11.01352707839686 (0.00737819% change) + iteration 8: trace = 11.01352724402022 (0.00737821% change) linmin: converged after 6 iterations. - iteration 9: trace = 11.01297409187892 (0.0050211% change) - linmin: converged after 5 iterations. - iteration 10: trace = 11.01260407358719 (0.0033599% change) - linmin: converged after 7 iterations. - iteration 11: trace = 11.01234640337442 (0.0023398% change) + iteration 9: trace = 11.01297425233059 (0.00502115% change) + linmin: converged after 6 iterations. + iteration 10: trace = 11.01260423097277 (0.00335992% change) linmin: converged after 7 iterations. - iteration 12: trace = 11.01215775508087 (0.00171308% change) - linmin: converged after 5 iterations. - iteration 13: trace = 11.01201309868062 (0.00131361% change) - linmin: converged after 5 iterations. - iteration 14: trace = 11.01189759598877 (0.00104888% change) - linmin: converged after 5 iterations. - iteration 15: trace = 11.01180203206561 (0.000867828% change) - linmin: converged after 5 iterations. - iteration 16: trace = 11.01172040916542 (0.000741234% change) - linmin: converged after 5 iterations. - iteration 17: trace = 11.01164863964709 (0.000651758% change) - linmin: converged after 5 iterations. - iteration 18: trace = 11.01158380593971 (0.000588776% change) + iteration 11: trace = 11.01234655891768 (0.00233982% change) + linmin: converged after 6 iterations. + iteration 12: trace = 11.01215790252729 (0.00171315% change) linmin: converged after 5 iterations. - iteration 19: trace = 11.01152372324741 (0.000545633% change) + iteration 13: trace = 11.01201324546146 (0.00131362% change) linmin: converged after 5 iterations. - iteration 20: trace = 11.0114666677746 (0.000518145% change) + iteration 14: trace = 11.01189774226828 (0.00104889% change) linmin: converged after 5 iterations. - iteration 21: trace = 11.01141120224414 (0.000503708% change) + iteration 15: trace = 11.01180217830351 (0.000867828% change) linmin: converged after 5 iterations. - iteration 22: trace = 11.01135605865556 (0.000500787% change) + iteration 16: trace = 11.01172055532999 (0.000741234% change) linmin: converged after 5 iterations. - iteration 23: trace = 11.01130005666753 (0.000508585% change) + iteration 17: trace = 11.01164878562577 (0.00065176% change) + linmin: converged after 7 iterations. + iteration 18: trace = 11.01158395182458 (0.000588776% change) + linmin: converged after 7 iterations. + iteration 19: trace = 11.01152386905508 (0.000545634% change) + linmin: converged after 6 iterations. + iteration 20: trace = 11.01146681356305 (0.000518145% change) linmin: converged after 5 iterations. - iteration 24: trace = 11.01124204603358 (0.00052683% change) + iteration 21: trace = 11.01141134803991 (0.000503708% change) linmin: converged after 5 iterations. - iteration 25: trace = 11.01118086620204 (0.000555614% change) + iteration 22: trace = 11.0113562045461 (0.000500786% change) linmin: converged after 5 iterations. - iteration 26: trace = 11.01111532017175 (0.00059527% change) + iteration 23: trace = 11.01130020275092 (0.000508583% change) linmin: converged after 5 iterations. - iteration 27: trace = 11.01104416383781 (0.000646225% change) + iteration 24: trace = 11.01124219241931 (0.000526827% change) linmin: converged after 5 iterations. - iteration 28: trace = 11.01096610959991 (0.000708875% change) + iteration 25: trace = 11.01118101281943 (0.000555612% change) linmin: converged after 5 iterations. - iteration 29: trace = 11.01087984653262 (0.000783432% change) - linmin: converged after 6 iterations. - iteration 30: trace = 11.01078407485895 (0.000869795% change) - linmin: converged after 6 iterations. - iteration 31: trace = 11.01067755889182 (0.000967383% change) - linmin: converged after 8 iterations. - iteration 32: trace = 11.01055917726705 (0.00107516% change) - linmin: converged after 6 iterations. - iteration 33: trace = 11.01042798147006 (0.00119155% change) - linmin: converged after 6 iterations. - iteration 34: trace = 11.01028327437113 (0.00131428% change) - linmin: converged after 10 iterations. - iteration 35: trace = 11.01012463492527 (0.00144084% change) + iteration 26: trace = 11.01111546732422 (0.000595265% change) linmin: converged after 6 iterations. - iteration 36: trace = 11.00995200038872 (0.00156797% change) + iteration 27: trace = 11.01104431133652 (0.000646222% change) + linmin: converged after 7 iterations. + iteration 28: trace = 11.01096625748936 (0.000708871% change) linmin: converged after 5 iterations. - iteration 37: trace = 11.00976570007792 (0.00169212% change) - linmin: converged after 6 iterations. - iteration 38: trace = 11.00956662748363 (0.00180816% change) + iteration 29: trace = 11.01087999470441 (0.000783429% change) linmin: converged after 6 iterations. - iteration 39: trace = 11.00935625534778 (0.00191083% change) - linmin: converged after 6 iterations. - iteration 40: trace = 11.00913671767305 (0.00199412% change) - linmin: converged after 8 iterations. - iteration 41: trace = 11.00891078382791 (0.00205226% change) + iteration 30: trace = 11.01078422524175 (0.000869775% change) linmin: converged after 6 iterations. - iteration 42: trace = 11.00868179842986 (0.00208002% change) + iteration 31: trace = 11.01067771053529 (0.000967372% change) linmin: converged after 5 iterations. - iteration 43: trace = 11.00845295674856 (0.00207876% change) + iteration 32: trace = 11.0105593271217 (0.00107517% change) linmin: converged after 5 iterations. - iteration 44: trace = 11.0082275421964 (0.00204767% change) - linmin: converged after 7 iterations. - iteration 45: trace = 11.00800816555624 (0.00199286% change) + iteration 33: trace = 11.01042813291539 (0.00119154% change) linmin: converged after 5 iterations. - iteration 46: trace = 11.00779674420663 (0.00192063% change) + iteration 34: trace = 11.01028341866329 (0.00131435% change) + linmin: converged after 7 iterations. + iteration 35: trace = 11.01012476672112 (0.00144095% change) linmin: converged after 7 iterations. - iteration 47: trace = 11.00759420211886 (0.00184% change) + iteration 36: trace = 11.00995213322462 (0.00156796% change) linmin: converged after 5 iterations. - iteration 48: trace = 11.00740105726802 (0.00175467% change) + iteration 37: trace = 11.0097658347884 (0.00169211% change) linmin: converged after 7 iterations. - iteration 49: trace = 11.0072171318706 (0.00167094% change) + iteration 38: trace = 11.00956676381251 (0.00180815% change) + linmin: converged after 6 iterations. + iteration 39: trace = 11.00935639309117 (0.00191082% change) + linmin: converged after 11 iterations. + iteration 40: trace = 11.00913685634783 (0.00199411% change) + linmin: converged after 8 iterations. + iteration 41: trace = 11.00891095726001 (0.00205194% change) + linmin: converged after 9 iterations. + iteration 42: trace = 11.00868186781848 (0.00208097% change) + linmin: converged after 5 iterations. + iteration 43: trace = 11.00845309419009 (0.00207814% change) linmin: converged after 7 iterations. - iteration 50: trace = 11.00704207442321 (0.0015904% change) + iteration 44: trace = 11.00822767851124 (0.00204768% change) + linmin: converged after 5 iterations. + iteration 45: trace = 11.0080083735997 (0.00199221% change) + linmin: converged after 5 iterations. + iteration 46: trace = 11.00779687928887 (0.0019213% change) + linmin: converged after 9 iterations. + iteration 47: trace = 11.00759433557777 (0.00184002% change) + linmin: converged after 5 iterations. + iteration 48: trace = 11.00740117830915 (0.00175478% change) linmin: converged after 6 iterations. - iteration 51: trace = 11.00687534405666 (0.00151477% change) + iteration 49: trace = 11.00721725150939 (0.00167095% change) linmin: converged after 6 iterations. - iteration 52: trace = 11.00671628941424 (0.00144506% change) + iteration 50: trace = 11.00704219288225 (0.00159041% change) linmin: converged after 7 iterations. - iteration 53: trace = 11.00656427267694 (0.00138114% change) - linmin: converged after 5 iterations. - iteration 54: trace = 11.00641873658716 (0.00132228% change) + iteration 51: trace = 11.00687546271376 (0.00151477% change) linmin: converged after 6 iterations. - iteration 55: trace = 11.00627916723906 (0.00126808% change) + iteration 52: trace = 11.00671640363029 (0.0014451% change) + linmin: converged after 7 iterations. + iteration 53: trace = 11.00656440278476 (0.00138099% change) linmin: converged after 6 iterations. - iteration 56: trace = 11.00614512109316 (0.00121791% change) + iteration 54: trace = 11.00641886583405 (0.00132228% change) linmin: converged after 5 iterations. - iteration 57: trace = 11.0060162326265 (0.00117107% change) + iteration 55: trace = 11.00627929599207 (0.00126808% change) linmin: converged after 5 iterations. - iteration 58: trace = 11.00589217219391 (0.00112721% change) + iteration 56: trace = 11.00614524942163 (0.00121792% change) linmin: converged after 6 iterations. - iteration 59: trace = 11.00577269298904 (0.0010856% change) + iteration 57: trace = 11.00601635136887 (0.00117115% change) linmin: converged after 6 iterations. - iteration 60: trace = 11.00565758455856 (0.0010459% change) + iteration 58: trace = 11.00589229070854 (0.00112721% change) linmin: converged after 5 iterations. - iteration 61: trace = 11.00554667335212 (0.00100777% change) - linmin: converged after 6 iterations. - iteration 62: trace = 11.00543981294148 (0.000970973% change) + iteration 59: trace = 11.00577281808326 (0.00108554% change) + linmin: converged after 7 iterations. + iteration 60: trace = 11.00565770937775 (0.0010459% change) linmin: converged after 6 iterations. - iteration 63: trace = 11.00533687659922 (0.000935327% change) + iteration 61: trace = 11.00554679795371 (0.00100777% change) + linmin: converged after 7 iterations. + iteration 62: trace = 11.00543994161668 (0.000970936% change) + linmin: converged after 5 iterations. + iteration 63: trace = 11.00533700499791 (0.000935329% change) linmin: converged after 6 iterations. - iteration 64: trace = 11.00523775065723 (0.000900712% change) + iteration 64: trace = 11.00523787838173 (0.000900718% change) linmin: converged after 6 iterations. - iteration 65: trace = 11.00514233025351 (0.000867049% change) + iteration 65: trace = 11.00514245755455 (0.000867053% change) linmin: converged after 6 iterations. - iteration 66: trace = 11.0050505063284 (0.000834376% change) + iteration 66: trace = 11.0050506328845 (0.000834383% change) linmin: converged after 5 iterations. - iteration 67: trace = 11.00496217168693 (0.000802677% change) - linmin: converged after 6 iterations. - iteration 68: trace = 11.00487721662269 (0.000771974% change) + iteration 67: trace = 11.00496229806409 (0.000802678% change) + linmin: converged after 7 iterations. + iteration 68: trace = 11.00487734050113 (0.000771996% change) linmin: converged after 5 iterations. - iteration 69: trace = 11.00479552408501 (0.000742333% change) + iteration 69: trace = 11.00479564742943 (0.000742338% change) resetting CG direction... - large trace change predicted (0.115542%) - linmin: converged after 7 iterations. - iteration 70: trace = 10.99202102759567 (0.116149% change) + large trace change predicted (0.115544%) linmin: converged after 6 iterations. - iteration 71: trace = 10.99062235322404 (0.0127253% change) - linmin: converged after 5 iterations. - iteration 72: trace = 10.98948431168286 (0.0103552% change) + iteration 70: trace = 10.99202097217953 (0.11615% change) + linmin: converged after 6 iterations. + iteration 71: trace = 10.99062231457834 (0.0127251% change) + linmin: converged after 6 iterations. + iteration 72: trace = 10.98948431109559 (0.0103548% change) linmin: converged after 7 iterations. - iteration 73: trace = 10.98818649131381 (0.0118104% change) - linmin: converged after 9 iterations. - iteration 74: trace = 10.98802559286604 (0.0014643% change) - linmin: converged after 5 iterations. - iteration 75: trace = 10.98801515660696 (9.49785e-05% change) - linmin: converged after 8 iterations. - iteration 76: trace = 10.98801412694385 (9.37078e-06% change) - linmin: converged after 4 iterations. - iteration 77: trace = 10.9880140964681 (2.77355e-07% change) + iteration 73: trace = 10.98818650328267 (0.0118102% change) + linmin: converged after 6 iterations. + iteration 74: trace = 10.98802559342059 (0.0014644% change) linmin: converged after 4 iterations. - iteration 78: trace = 10.98801409317374 (2.99814e-08% change) + iteration 75: trace = 10.98801515673638 (9.49824e-05% change) linmin: converged after 4 iterations. - iteration 79: trace = 10.98801409317348 (2.29562e-12% change) -Finished solving for bands 1 to 8 after 79 iterations. + iteration 76: trace = 10.98801412689492 (9.37241e-06% change) + linmin: converged after 6 iterations. + iteration 77: trace = 10.98801409641097 (2.77429e-07% change) + linmin: converged after 3 iterations. + iteration 78: trace = 10.9880140931879 (2.93326e-08% change) + linmin: converged after 5 iterations. + iteration 79: trace = 10.98801409321055 (2.06153e-10% change) + large trace change predicted (5.51491e-10%) + linmin: converged after 8 iterations. + iteration 80: trace = 10.98801409318496 (2.32892e-10% change) + large trace change predicted (4.94369e-10%) + linmin: converged after 3 iterations. + iteration 81: trace = 10.98801409306325 (1.10765e-09% change) + linmin: converged after 7 iterations. + iteration 82: trace = 10.98801409306121 (1.86236e-11% change) +Finished solving for bands 1 to 8 after 82 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: 0.06308817863464355 +elapsed time for k point: 0.09036111831665039 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... + linmin: converged after 3 iterations. + iteration 1: trace = 10.90376014349419 (0.0079335% change) + linmin: converged after 3 iterations. + iteration 2: trace = 10.90359811542531 (0.00148599% change) + linmin: converged after 3 iterations. + iteration 3: trace = 10.90350955681155 (0.0008122% change) linmin: converged after 4 iterations. - switching to approximate line minimization (decrease time by 52.2968%) - iteration 1: trace = 10.90375999668114 (0.00793331% change) - iteration 2: trace = 10.90359832829955 (0.0014827% change) - iteration 3: trace = 10.90350974601201 (0.000812417% change) - iteration 4: trace = 10.90345236910993 (0.000526226% change) - iteration 5: trace = 10.90344657544687 (5.31361e-05% change) - iteration 6: trace = 10.90344609591974 (4.39794e-06% change) - iteration 7: trace = 10.90344605641481 (3.62316e-07% change) - iteration 8: trace = 10.90344605252904 (3.5638e-08% change) - iteration 9: trace = 10.90344604856771 (3.6331e-08% change) - iteration 10: trace = 10.90344604736139 (1.10636e-08% change) + iteration 4: trace = 10.903452303297 (0.000525094% change) + linmin: converged after 3 iterations. + iteration 5: trace = 10.90344655289257 (5.27393e-05% change) + linmin: converged after 6 iterations. + iteration 6: trace = 10.90344608445542 (4.29623e-06% change) + linmin: converged after 2 iterations. + iteration 7: trace = 10.90344604871553 (3.27785e-07% change) + linmin: converged after 2 iterations. + switching to approximate line minimization (decrease time by 50.3968%) + iteration 8: trace = 10.90344604735268 (1.24992e-08% change) switching back to exact line minimization - iteration 11: trace = 10.90344604730769 (4.92531e-10% change) + iteration 9: trace = 10.90344604730559 (4.31877e-10% change) linmin: converged after 2 iterations. - switching to approximate line minimization (decrease time by 77.5811%) - iteration 12: trace = 10.90344604730487 (2.58223e-11% change) -Finished solving for bands 1 to 8 after 12 iterations. + iteration 10: trace = 10.90344604730441 (1.08666e-11% change) +Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 3, 0.1, 0, 0, 0.1, 0.047044, 0.445964, 0.569827, 0.954549, 1.059, 1.45407, 1.55459, 1.95293 -elapsed time for k point: 0.012277603149414062 +elapsed time for k point: 0.012067794799804688 solve_kpoint (0.15,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - switching to approximate line minimization (decrease time by 54.0984%) - iteration 1: trace = 10.82874319845695 (0.00713667% change) - switching back to exact line minimization - iteration 2: trace = 10.82865181757414 (0.000843877% change) + iteration 1: trace = 10.82874318749303 (0.00713648% change) + linmin: converged after 3 iterations. + iteration 2: trace = 10.82865179052089 (0.000844026% change) linmin: converged after 4 iterations. - iteration 3: trace = 10.82863915202617 (0.000116963% change) + iteration 3: trace = 10.82863914565782 (0.000116772% change) + linmin: converged after 5 iterations. + iteration 4: trace = 10.82863201430732 (6.58564e-05% change) linmin: converged after 6 iterations. - switching to approximate line minimization (decrease time by 74.9077%) - iteration 4: trace = 10.8286320186837 (6.58748e-05% change) - iteration 5: trace = 10.82863047572658 (1.42489e-05% change) - iteration 6: trace = 10.82863033668635 (1.28401e-06% change) - switching back to exact line minimization - iteration 7: trace = 10.82863032443882 (1.13103e-07% change) + iteration 5: trace = 10.82863047384796 (1.42258e-05% change) linmin: converged after 2 iterations. - iteration 8: trace = 10.82863032386654 (5.28493e-09% change) + iteration 6: trace = 10.82863033630218 (1.2702e-06% change) linmin: converged after 2 iterations. - iteration 9: trace = 10.82863032380345 (5.82597e-10% change) - linmin: converged after 2 iterations. - iteration 10: trace = 10.82863032375873 (4.12977e-10% change) + switching to approximate line minimization (decrease time by 56.7944%) + iteration 7: trace = 10.82863032427763 (1.11044e-07% change) + switching back to exact line minimization + iteration 8: trace = 10.82863032376797 (4.70661e-09% change) linmin: converged after 2 iterations. - iteration 11: trace = 10.82863032375313 (5.17554e-11% change) -Finished solving for bands 1 to 8 after 11 iterations. + iteration 9: trace = 10.82863032375329 (1.35499e-10% change) + linmin: converged after 4 iterations. + iteration 10: trace = 10.82863032375297 (2.98558e-12% change) +Finished solving for bands 1 to 8 after 10 iterations. 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: 0.013395071029663086 +elapsed time for k point: 0.012042045593261719 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 10.76383414131368 (0.00702671% change) + iteration 1: trace = 10.76383414066022 (0.00702665% change) + linmin: converged after 4 iterations. + iteration 2: trace = 10.76375283235569 (0.000755387% change) linmin: converged after 4 iterations. - iteration 2: trace = 10.76375283232841 (0.000755393% change) + iteration 3: trace = 10.76374658323256 (5.80571e-05% change) linmin: converged after 6 iterations. - iteration 3: trace = 10.76374658320572 (5.80571e-05% change) - linmin: converged after 9 iterations. - iteration 4: trace = 10.76374528581546 (1.20533e-05% change) + iteration 4: trace = 10.76374528581931 (1.20535e-05% change) linmin: converged after 5 iterations. - iteration 5: trace = 10.7637448674038 (3.88723e-06% change) + iteration 5: trace = 10.76374486740369 (3.88727e-06% change) + linmin: converged after 2 iterations. + switching to approximate line minimization (decrease time by 56.2069%) + iteration 6: trace = 10.76374482182858 (4.23413e-07% change) + switching back to exact line minimization + iteration 7: trace = 10.76374481723281 (4.26968e-08% change) linmin: converged after 2 iterations. - iteration 6: trace = 10.76374482182854 (4.23415e-07% change) + iteration 8: trace = 10.76374481699878 (2.17422e-09% change) linmin: converged after 2 iterations. - switching to approximate line minimization (decrease time by 57.377%) - iteration 7: trace = 10.76374481723281 (4.26964e-08% change) - iteration 8: trace = 10.76374481699878 (2.17429e-09% change) - iteration 9: trace = 10.76374481699274 (5.60777e-11% change) + iteration 9: trace = 10.76374481699274 (5.61437e-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: 0.009326696395874023 +elapsed time for k point: 0.011879920959472656 solve_kpoint (0.25,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 10.70890918978231 (0.00701169% change) - linmin: converged after 4 iterations. - iteration 2: trace = 10.70883098425245 (0.000730287% change) + iteration 1: trace = 10.70890918978468 (0.00701169% change) linmin: converged after 4 iterations. - iteration 3: trace = 10.70882611989435 (4.54238e-05% change) + iteration 2: trace = 10.70883098425319 (0.000730287% change) + linmin: converged after 5 iterations. + iteration 3: trace = 10.70882611989464 (4.54238e-05% change) linmin: converged after 2 iterations. - iteration 4: trace = 10.70882574797967 (3.47297e-06% change) + iteration 4: trace = 10.70882574797975 (3.47298e-06% change) linmin: converged after 2 iterations. - iteration 5: trace = 10.70882564389908 (9.71914e-07% change) + iteration 5: trace = 10.70882564389909 (9.71915e-07% change) linmin: converged after 2 iterations. iteration 6: trace = 10.70882562957837 (1.33728e-07% change) linmin: converged after 2 iterations. - iteration 7: trace = 10.70882562792912 (1.54008e-08% change) + iteration 7: trace = 10.70882562792913 (1.54008e-08% change) linmin: converged after 2 iterations. - iteration 8: trace = 10.70882562781417 (1.07341e-09% change) + iteration 8: trace = 10.70882562781417 (1.07345e-09% change) linmin: converged after 2 iterations. - iteration 9: trace = 10.70882562781128 (2.70381e-11% change) + iteration 9: trace = 10.70882562781128 (2.70215e-11% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 6, 0.25, 0, 0, 0.25, 0.11601, 0.383577, 0.634793, 0.883153, 1.13136, 1.37995, 1.62894, 1.8782 -elapsed time for k point: 0.012372255325317383 +elapsed time for k point: 0.011777162551879883 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - switching to approximate line minimization (decrease time by 77.8481%) iteration 1: trace = 10.66396644581557 (0.00701938% change) - iteration 2: trace = 10.6638895656612 (0.000720937% change) - switching back to exact line minimization - iteration 3: trace = 10.66388515764271 (4.13359e-05% change) + linmin: converged after 4 iterations. + iteration 2: trace = 10.6638895643872 (0.000720948% change) + linmin: converged after 5 iterations. + iteration 3: trace = 10.66388515749335 (4.13254e-05% change) linmin: converged after 2 iterations. - iteration 4: trace = 10.6638849780867 (1.68378e-06% change) + iteration 4: trace = 10.66388497807411 (1.68249e-06% change) linmin: converged after 2 iterations. - switching to approximate line minimization (decrease time by 52.1368%) - iteration 5: trace = 10.66388495145546 (2.49733e-07% change) - switching back to exact line minimization - iteration 6: trace = 10.66388494762107 (3.59567e-08% change) + iteration 5: trace = 10.66388495145453 (2.49624e-07% change) + linmin: converged after 2 iterations. + iteration 6: trace = 10.66388494762051 (3.59533e-08% change) linmin: converged after 2 iterations. - iteration 7: trace = 10.6638849471831 (4.10704e-09% change) + iteration 7: trace = 10.66388494718304 (4.10242e-09% change) linmin: converged after 2 iterations. - iteration 8: trace = 10.66388494713198 (4.79342e-10% change) + iteration 8: trace = 10.66388494713198 (4.78742e-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: 0.004792213439941406 +elapsed time for k point: 0.002573728561401367 solve_kpoint (0.35,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 10.6290086001995 (0.00703179% change) + iteration 1: trace = 10.62900860023463 (0.00703179% change) linmin: converged after 4 iterations. - iteration 2: trace = 10.6289323953045 (0.000716955% change) - linmin: converged after 4 iterations. - switching to approximate line minimization (decrease time by 55.2294%) - iteration 3: trace = 10.6289281821789 (3.96383e-05% change) - iteration 4: trace = 10.62892805633391 (1.18399e-06% change) - iteration 5: trace = 10.62892804707553 (8.71055e-08% change) - iteration 6: trace = 10.62892804604186 (9.72506e-09% change) - switching back to exact line minimization - iteration 7: trace = 10.62892804597542 (6.25063e-10% change) + iteration 2: trace = 10.6289323953069 (0.000716955% change) + linmin: converged after 5 iterations. + iteration 3: trace = 10.62892818217895 (3.96383e-05% change) + linmin: converged after 2 iterations. + iteration 4: trace = 10.62892805633393 (1.18399e-06% change) + linmin: converged after 2 iterations. + iteration 5: trace = 10.62892804707553 (8.71056e-08% change) + linmin: converged after 2 iterations. + iteration 6: trace = 10.62892804604186 (9.72509e-09% change) + linmin: converged after 2 iterations. + iteration 7: trace = 10.62892804597542 (6.2508e-10% change) linmin: converged after 2 iterations. - switching to approximate line minimization (decrease time by 56.9231%) iteration 8: trace = 10.62892804596423 (1.05289e-10% change) - switching back to exact line minimization - iteration 9: trace = 10.62892804596352 (6.7017e-12% change) + linmin: converged after 2 iterations. + iteration 9: trace = 10.62892804596352 (6.68499e-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: 0.007232666015625 +elapsed time for k point: 0.012907266616821289 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 10.60403759597603 (0.00704272% change) + iteration 1: trace = 10.60403759597599 (0.00704272% change) linmin: converged after 4 iterations. iteration 2: trace = 10.60396176516587 (0.000715115% change) linmin: converged after 5 iterations. @@ -6683,76 +6718,77 @@ linmin: converged after 2 iterations. iteration 5: trace = 10.60395753615697 (4.57751e-08% change) linmin: converged after 2 iterations. - iteration 6: trace = 10.60395753572879 (4.03788e-09% change) + iteration 6: trace = 10.60395753572879 (4.03789e-09% change) linmin: converged after 2 iterations. - switching to approximate line minimization (decrease time by 52.8369%) - iteration 7: trace = 10.60395753570917 (1.85041e-10% change) - switching back to exact line minimization - iteration 8: trace = 10.6039575357088 (3.46763e-12% change) + iteration 7: trace = 10.60395753570917 (1.85057e-10% change) + linmin: converged after 2 iterations. + switching to approximate line minimization (decrease time by 55.914%) + iteration 8: trace = 10.6039575357088 (3.45088e-12% change) Finished solving for bands 1 to 8 after 8 iterations. tmfreqs:, 9, 0.4, 0, 0, 0.4, 0.176334, 0.324651, 0.702682, 0.813501, 1.20459, 1.30625, 1.70347, 1.80356 -elapsed time for k point: 0.008671283721923828 +elapsed time for k point: 0.011641979217529297 solve_kpoint (0.45,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - switching to approximate line minimization (decrease time by 59.3583%) - iteration 1: trace = 10.58905458874506 (0.00704958% change) - iteration 2: trace = 10.58897895689051 (0.000714248% change) - iteration 3: trace = 10.58897488556353 (3.84487e-05% change) - switching back to exact line minimization - iteration 4: trace = 10.58897478738606 (9.27167e-07% change) + iteration 1: trace = 10.58905458874505 (0.00704958% change) + linmin: converged after 4 iterations. + iteration 2: trace = 10.58897895638373 (0.000714253% change) + linmin: converged after 5 iterations. + iteration 3: trace = 10.5889748855018 (3.84445e-05% change) linmin: converged after 2 iterations. - iteration 5: trace = 10.5889747840214 (3.17752e-08% change) + iteration 4: trace = 10.58897478737543 (9.26684e-07% change) linmin: converged after 2 iterations. - iteration 6: trace = 10.58897478378889 (2.19572e-09% change) + iteration 5: trace = 10.58897478401991 (3.16888e-08% change) linmin: converged after 2 iterations. - iteration 7: trace = 10.58897478377234 (1.56298e-10% change) + iteration 6: trace = 10.58897478378886 (2.18201e-09% change) linmin: converged after 2 iterations. - iteration 8: trace = 10.58897478377203 (2.90217e-12% change) + iteration 7: trace = 10.58897478377234 (1.55979e-10% change) + linmin: converged after 2 iterations. + 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: 0.0023276805877685547 +elapsed time for k point: 0.0023338794708251953 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 10.584060178913 (0.00705116% change) + iteration 1: trace = 10.58406017889885 (0.00705116% change) linmin: converged after 4 iterations. - iteration 2: trace = 10.5839846198615 (0.000713897% change) + iteration 2: trace = 10.58398461985988 (0.000713897% change) linmin: converged after 5 iterations. - iteration 3: trace = 10.58398056403728 (3.83204e-05% change) + 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 (1.56375e-09% change) + iteration 6: trace = 10.58398046493152 (1.56376e-09% change) linmin: converged after 2 iterations. - iteration 7: trace = 10.58398046491724 (1.34972e-10% change) + iteration 7: trace = 10.58398046491724 (1.34922e-10% change) linmin: converged after 1 iterations. - iteration 8: trace = 10.58398046491708 (1.46016e-12% change) + iteration 8: trace = 10.58398046491709 (1.47694e-12% change) Finished solving for bands 1 to 8 after 8 iterations. tmfreqs:, 11, 0.5, 0, 0, 0.5, 0.194775, 0.306403, 0.73165, 0.784262, 1.2441, 1.26666, 1.74884, 1.75817 -.elapsed time for k point: 0.0023322105407714844 -Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.19477466366820304 at Vector3<0.5, 0.0, 0.0> -Band 2 range: 0.30640302623084353 at Vector3<0.5, 0.0, 0.0> to 0.4687748525866905 at Vector3<0.0, 0.0, 0.0> -Band 3 range: 0.5466257501317401 at Vector3<0.0, 0.0, 0.0> to 0.7316504426541638 at Vector3<0.5, 0.0, 0.0> -Band 4 range: 0.7842615905093818 at Vector3<0.5, 0.0, 0.0> to 0.989348615543701 at Vector3<0.0, 0.0, 0.0> -Band 5 range: 1.0240548648147194 at Vector3<0.0, 0.0, 0.0> to 1.2440980042025878 at Vector3<0.5, 0.0, 0.0> -Band 6 range: 1.2666566861855075 at Vector3<0.5, 0.0, 0.0> to 1.4970379696968514 at Vector3<0.0, 0.0, 0.0> -Band 7 range: 1.511580099465272 at Vector3<0.0, 0.0, 0.0> to 1.74883590399105 at Vector3<0.5, 0.0, 0.0> -Band 8 range: 1.7581683208483645 at Vector3<0.5, 0.0, 0.0> to 1.9999072006797294 at Vector3<0.0, 0.0, 0.0> -Gap from band 1 (0.19477466366820304) to band 2 (0.30640302623084353), 44.54642128428585% -Gap from band 2 (0.4687748525866905) to band 3 (0.5466257501317401), 15.334026262467672% -Gap from band 3 (0.7316504426541638) to band 4 (0.7842615905093818), 6.941187444158513% -Gap from band 4 (0.989348615543701) to band 5 (1.0240548648147194), 3.447520540179069% -Gap from band 5 (1.2440980042025878) to band 6 (1.2666566861855075), 1.7969642410133506% -Gap from band 6 (1.4970379696968514) to band 7 (1.511580099465272), 0.9666982936435251% -Gap from band 7 (1.74883590399105) to band 8 (1.7581683208483645), 0.5322158890608062% -total elapsed time for run: 0.1729276180267334 +.elapsed time for k point: 0.011272192001342773 +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: 0.30640302623084376 at Vector3<0.5, 0.0, 0.0> to 0.4687748525866893 at Vector3<0.0, 0.0, 0.0> +Band 3 range: 0.546625750131736 at Vector3<0.0, 0.0, 0.0> to 0.731650442654165 at Vector3<0.5, 0.0, 0.0> +Band 4 range: 0.7842615905093814 at Vector3<0.5, 0.0, 0.0> to 0.9893486155437272 at Vector3<0.0, 0.0, 0.0> +Band 5 range: 1.0240548648147156 at Vector3<0.0, 0.0, 0.0> to 1.2440980042025884 at Vector3<0.5, 0.0, 0.0> +Band 6 range: 1.2666566861855075 at Vector3<0.5, 0.0, 0.0> to 1.4970379696968072 at Vector3<0.0, 0.0, 0.0> +Band 7 range: 1.511580099464966 at Vector3<0.0, 0.0, 0.0> to 1.7488359039910504 at Vector3<0.5, 0.0, 0.0> +Band 8 range: 1.7581683208483656 at Vector3<0.5, 0.0, 0.0> to 1.9999072006796688 at Vector3<0.0, 0.0, 0.0> +Gap from band 1 (0.19477466366820298) to band 2 (0.30640302623084376), 44.54642128428594% +Gap from band 2 (0.4687748525866893) to band 3 (0.546625750131736), 15.334026262467185% +Gap from band 3 (0.731650442654165) to band 4 (0.7842615905093814), 6.94118744415829% +Gap from band 4 (0.9893486155437272) to band 5 (1.0240548648147156), 3.4475205401760527% +Gap from band 5 (1.2440980042025884) to band 6 (1.2666566861855075), 1.796964241013297% +Gap from band 6 (1.4970379696968072) to band 7 (1.511580099464966), 0.9666982936262348% +Gap from band 7 (1.7488359039910504) to band 8 (1.7581683208483656), 0.532215889060844% +total elapsed time for run: 0.23816370964050293 done -/tmp/meepNmMUdV/test_bragg_sine-0: 0.18s +/tmp/meep1SOGmO/test_bragg_sine-0: 0.24s -/tmp/meepNmMUdV/test_compute_field_energy-0 +/tmp/meep1SOGmO/test_compute_field_energy-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -6795,7 +6831,7 @@ 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: 0.028309345245361328 +elapsed time for initialization: 0.010762691497802734 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... @@ -6906,7 +6942,7 @@ iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.3427419662475586 +elapsed time for k point: 0.7732148170471191 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -7157,7 +7193,7 @@ iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 1.9294734001159668 +elapsed time for k point: 3.9480414390563965 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7214,7 +7250,7 @@ iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.2885713577270508 +elapsed time for k point: 0.8322627544403076 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7267,7 +7303,7 @@ iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.513662576675415 +elapsed time for k point: 0.45647287368774414 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7328,7 +7364,7 @@ iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 1.0815505981445312 +elapsed time for k point: 0.5230617523193359 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7421,7 +7457,7 @@ iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.4760892391204834 +elapsed time for k point: 0.6862545013427734 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -7492,7 +7528,7 @@ iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.4049217700958252 +elapsed time for k point: 0.43467187881469727 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7553,7 +7589,7 @@ iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.4118483066558838 +elapsed time for k point: 0.44263744354248047 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7606,7 +7642,7 @@ iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.46816062927246094 +elapsed time for k point: 0.35901427268981934 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7658,7 +7694,7 @@ iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 1.1125476360321045 +elapsed time for k point: 0.3327901363372803 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7710,7 +7746,7 @@ iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.4444608688354492 +elapsed time for k point: 0.5258622169494629 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7751,7 +7787,7 @@ iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.3164396286010742 +elapsed time for k point: 0.33788108825683594 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7798,7 +7834,7 @@ iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.2701141834259033 +elapsed time for k point: 0.9375836849212646 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7861,7 +7897,7 @@ iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.24571752548217773 +elapsed time for k point: 1.300455093383789 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7934,7 +7970,7 @@ iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.32341599464416504 +elapsed time for k point: 0.8775534629821777 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -8129,7 +8165,7 @@ iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.8324851989746094 +elapsed time for k point: 1.1032123565673828 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> @@ -8141,13 +8177,13 @@ Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% -total elapsed time for run: 9.493245124816895 +total elapsed time for run: 15.624019384384155 done Fixing h-field (band 8) phase by -1 + 2.61271e-07i; max ampl. = 4.48388 D-energy-components:, 16, 8, 0.499991, 0.500009, 0 -./tmp/meepNmMUdV/test_compute_field_energy-0: 9.50s +./tmp/meep1SOGmO/test_compute_field_energy-0: 15.65s -/tmp/meepNmMUdV/test_compute_group_velocity-0 +/tmp/meep1SOGmO/test_compute_group_velocity-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -8190,7 +8226,7 @@ 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: 0.004934072494506836 +elapsed time for initialization: 0.006776571273803711 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... @@ -8301,7 +8337,7 @@ iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.47707486152648926 +elapsed time for k point: 0.8006837368011475 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -8552,7 +8588,7 @@ iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 1.975670576095581 +elapsed time for k point: 2.094818115234375 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -8609,7 +8645,7 @@ iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.4189002513885498 +elapsed time for k point: 0.4467616081237793 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -8662,7 +8698,7 @@ iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.456592321395874 +elapsed time for k point: 0.4621286392211914 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -8723,7 +8759,7 @@ iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.43852663040161133 +elapsed time for k point: 0.5340685844421387 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -8816,7 +8852,7 @@ iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.5777390003204346 +elapsed time for k point: 2.9927351474761963 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -8887,7 +8923,7 @@ iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.28308916091918945 +elapsed time for k point: 0.20069646835327148 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -8948,7 +8984,7 @@ iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.5411984920501709 +elapsed time for k point: 0.16040635108947754 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -9001,7 +9037,7 @@ iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.3562006950378418 +elapsed time for k point: 0.1370077133178711 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -9053,7 +9089,7 @@ iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.2212693691253662 +elapsed time for k point: 0.1311502456665039 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -9105,7 +9141,7 @@ iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.18630003929138184 +elapsed time for k point: 0.16014575958251953 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -9146,7 +9182,7 @@ iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.19309067726135254 +elapsed time for k point: 0.11905431747436523 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -9193,7 +9229,7 @@ iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.22752904891967773 +elapsed time for k point: 0.1261298656463623 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -9256,7 +9292,7 @@ iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.29958391189575195 +elapsed time for k point: 0.25736284255981445 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -9329,7 +9365,7 @@ iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.37568140029907227 +elapsed time for k point: 0.5227246284484863 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -9524,7 +9560,7 @@ iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -.elapsed time for k point: 2.5334632396698 +.elapsed time for k point: 1.379300594329834 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> @@ -9536,11 +9572,11 @@ Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% -total elapsed time for run: 9.569546699523926 +total elapsed time for run: 10.534146308898926 done -/tmp/meepNmMUdV/test_compute_group_velocity-0: 9.57s +/tmp/meep1SOGmO/test_compute_group_velocity-0: 10.54s -/tmp/meepNmMUdV/test_compute_integrals-0 +/tmp/meep1SOGmO/test_compute_integrals-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -9583,7 +9619,7 @@ 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: 0.007738351821899414 +elapsed time for initialization: 0.012023687362670898 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... @@ -9694,7 +9730,7 @@ iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 1.5012540817260742 +elapsed time for k point: 0.7747063636779785 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -9945,7 +9981,7 @@ iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 3.3522610664367676 +elapsed time for k point: 6.5257039070129395 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10002,7 +10038,7 @@ iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.7027482986450195 +elapsed time for k point: 0.3463785648345947 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10055,7 +10091,7 @@ iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.6198275089263916 +elapsed time for k point: 0.32541322708129883 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10116,7 +10152,7 @@ iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.6605377197265625 +elapsed time for k point: 0.37030839920043945 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10209,7 +10245,7 @@ iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.6285374164581299 +elapsed time for k point: 0.6860640048980713 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -10280,7 +10316,7 @@ iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 1.8959956169128418 +elapsed time for k point: 0.5639643669128418 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10341,7 +10377,7 @@ iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.6701102256774902 +elapsed time for k point: 0.4719815254211426 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10394,7 +10430,7 @@ iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.4604604244232178 +elapsed time for k point: 4.3217244148254395 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10446,7 +10482,7 @@ iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 1.1562578678131104 +elapsed time for k point: 0.38906216621398926 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10498,7 +10534,7 @@ iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 1.2040801048278809 +elapsed time for k point: 0.44687509536743164 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10539,7 +10575,7 @@ iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.14227867126464844 +elapsed time for k point: 0.389101505279541 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10586,7 +10622,7 @@ iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.3253939151763916 +elapsed time for k point: 0.4316391944885254 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10649,7 +10685,7 @@ iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.6866326332092285 +elapsed time for k point: 0.6158738136291504 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10722,7 +10758,7 @@ iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.9692976474761963 +elapsed time for k point: 0.7238764762878418 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -10917,7 +10953,7 @@ iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 1.6655068397521973 +elapsed time for k point: 1.222991943359375 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> @@ -10929,14 +10965,14 @@ Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% -total elapsed time for run: 16.651371955871582 +total elapsed time for run: 18.62002944946289 done Fixing h-field (band 8) phase by -1 + 2.61271e-07i; max ampl. = 4.48388 H-energy-components:, 16, 8, 0, 0, 1 Fixing e-field (band 8) phase by 6.12323e-17 + -1i; max ampl. = 1.10099 -./tmp/meepNmMUdV/test_compute_integrals-0: 16.74s +./tmp/meep1SOGmO/test_compute_integrals-0: 18.64s -/tmp/meepNmMUdV/test_diamond-0 +/tmp/meep1SOGmO/test_diamond-0 ======================== Initializing eigensolver data Computing 5 bands with 1e-12 tolerance @@ -10996,7 +11032,7 @@ 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: 0.17120862007141113 +elapsed time for initialization: 0.04297494888305664 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... @@ -11113,7 +11149,7 @@ iteration 54: trace = 1.074849137530236 (7.26549e-11% change) Finished solving for bands 1 to 5 after 54 iterations. freqs:, 1, 0, 0.5, 0.5, 1, 0.38015, 0.381243, 0.495263, 0.496788, 0.541208 -elapsed time for k point: 5.99527382850647 +elapsed time for k point: 5.643848896026611 solve_kpoint (0,0.525,0.475): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -11187,7 +11223,7 @@ iteration 34: trace = 1.072165047038118 (4.90204e-11% change) Finished solving for bands 1 to 5 after 34 iterations. freqs:, 2, 0, 0.525, 0.475, 1.0025, 0.380386, 0.382168, 0.495624, 0.497176, 0.537208 -elapsed time for k point: 3.3733859062194824 +elapsed time for k point: 1.360753059387207 solve_kpoint (0,0.55,0.45): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -11252,7 +11288,7 @@ iteration 30: trace = 1.065499286544839 (4.35754e-11% change) Finished solving for bands 1 to 5 after 30 iterations. freqs:, 3, 0, 0.55, 0.45, 1.00995, 0.380966, 0.38483, 0.496711, 0.498342, 0.526501 -elapsed time for k point: 2.4763171672821045 +elapsed time for k point: 1.2060413360595703 solve_kpoint (0,0.575,0.425): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -11315,7 +11351,7 @@ iteration 29: trace = 1.057289581654964 (3.32661e-11% change) Finished solving for bands 1 to 5 after 29 iterations. freqs:, 4, 0, 0.575, 0.425, 1.02225, 0.381461, 0.388864, 0.498536, 0.500287, 0.511601 -elapsed time for k point: 1.603649377822876 +elapsed time for k point: 0.9718282222747803 solve_kpoint (0,0.6,0.4): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -11376,7 +11412,7 @@ iteration 28: trace = 1.04912749670163 (7.79496e-11% change) Finished solving for bands 1 to 5 after 28 iterations. freqs:, 5, 0, 0.6, 0.4, 1.03923, 0.381077, 0.393446, 0.49495, 0.501109, 0.503014 -elapsed time for k point: 1.5754649639129639 +elapsed time for k point: 4.721767902374268 solve_kpoint (0,0.625,0.375): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -11475,26 +11511,26 @@ iteration 45: trace = 1.041449469149454 (8.31082e-11% change) Finished solving for bands 1 to 5 after 45 iterations. freqs:, 6, 0, 0.625, 0.375, 1.06066, 0.378621, 0.396729, 0.479263, 0.504432, 0.506514 -elapsed time for k point: 1.552583932876587 +elapsed time for k point: 1.139939308166504 Fixing d-field (band 1) phase by 0.997721 + 0.0674729i; max ampl. = 12.9762 D-energy-components:, 6, 1, 0.0477669, 0.476092, 0.476141 -Outputting /tmp/meepNmMUdV/test_diamond-0-dpwr.k06.b01.h5... +Outputting /tmp/meep1SOGmO/test_diamond-0-dpwr.k06.b01.h5... D-energy-components:, 6, 1, 0.0477669, 0.476092, 0.476141 Fixing d-field (band 2) phase by 0.997721 + 0.0674729i; max ampl. = 12.1515 D-energy-components:, 6, 2, 0.232067, 0.383937, 0.383996 -Outputting /tmp/meepNmMUdV/test_diamond-0-dpwr.k06.b02.h5... +Outputting /tmp/meep1SOGmO/test_diamond-0-dpwr.k06.b02.h5... D-energy-components:, 6, 2, 0.232067, 0.383937, 0.383996 Fixing d-field (band 3) phase by 0.0674729 + -0.997721i; max ampl. = 13.3616 D-energy-components:, 6, 3, 0.736337, 0.13197, 0.131693 -Outputting /tmp/meepNmMUdV/test_diamond-0-dpwr.k06.b03.h5... +Outputting /tmp/meep1SOGmO/test_diamond-0-dpwr.k06.b03.h5... D-energy-components:, 6, 3, 0.736337, 0.13197, 0.131693 Fixing d-field (band 4) phase by 0.997721 + 0.0674729i; max ampl. = 7.97915 D-energy-components:, 6, 4, 0.11714, 0.441055, 0.441805 -Outputting /tmp/meepNmMUdV/test_diamond-0-dpwr.k06.b04.h5... +Outputting /tmp/meep1SOGmO/test_diamond-0-dpwr.k06.b04.h5... D-energy-components:, 6, 4, 0.11714, 0.441055, 0.441805 Fixing d-field (band 5) phase by -0.997721 + -0.0674729i; max ampl. = 12.8979 D-energy-components:, 6, 5, 0.238579, 0.435375, 0.326046 -Outputting /tmp/meepNmMUdV/test_diamond-0-dpwr.k06.b05.h5... +Outputting /tmp/meep1SOGmO/test_diamond-0-dpwr.k06.b05.h5... D-energy-components:, 6, 5, 0.238579, 0.435375, 0.326046 solve_kpoint (0,0.6,0.3): Solving for bands 1 to 5... @@ -11589,7 +11625,7 @@ iteration 44: trace = 1.012177885713604 (8.02686e-11% change) Finished solving for bands 1 to 5 after 44 iterations. freqs:, 7, 0, 0.6, 0.3, 0.994987, 0.369582, 0.388559, 0.467091, 0.487657, 0.518291 -elapsed time for k point: 3.1373963356018066 +elapsed time for k point: 0.5607926845550537 solve_kpoint (0,0.575,0.225): Solving for bands 1 to 5... linmin: converged after 4 iterations. @@ -11798,7 +11834,7 @@ iteration 98: trace = 0.9843245997396692 (8.09496e-11% change) Finished solving for bands 1 to 5 after 98 iterations. freqs:, 8, 0, 0.575, 0.225, 0.940744, 0.356415, 0.3702, 0.457212, 0.470085, 0.538723 -elapsed time for k point: 2.9785852432250977 +elapsed time for k point: 2.230422258377075 solve_kpoint (0,0.55,0.15): Solving for bands 1 to 5... linmin: converged after 4 iterations. @@ -11859,7 +11895,7 @@ iteration 28: trace = 0.9576556581103903 (3.51272e-11% change) Finished solving for bands 1 to 5 after 28 iterations. freqs:, 9, 0, 0.55, 0.15, 0.9, 0.344555, 0.351994, 0.449598, 0.455588, 0.552575 -elapsed time for k point: 0.9408271312713623 +elapsed time for k point: 5.164689540863037 solve_kpoint (0,0.525,0.075): Solving for bands 1 to 5... linmin: converged after 4 iterations. @@ -11918,7 +11954,7 @@ iteration 27: trace = 0.9411112577617218 (6.03295e-11% change) Finished solving for bands 1 to 5 after 27 iterations. freqs:, 10, 0, 0.525, 0.075, 0.874643, 0.336533, 0.339294, 0.444662, 0.446211, 0.562057 -elapsed time for k point: 1.0957539081573486 +elapsed time for k point: 1.3673481941223145 solve_kpoint (0,0.5,0): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -11973,7 +12009,7 @@ iteration 25: trace = 0.9357235226332389 (8.33507e-11% change) Finished solving for bands 1 to 5 after 25 iterations. freqs:, 11, 0, 0.5, 0, 0.866025, 0.333545, 0.334937, 0.442371, 0.443555, 0.565558 -elapsed time for k point: 1.2495498657226562 +elapsed time for k point: 1.1120250225067139 solve_kpoint (0,0.4,0): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -12024,7 +12060,7 @@ iteration 23: trace = 0.9457902837559192 (2.35828e-11% change) Finished solving for bands 1 to 5 after 23 iterations. freqs:, 12, 0, 0.4, 0, 0.69282, 0.299948, 0.301256, 0.47018, 0.471285, 0.567351 -elapsed time for k point: 1.5397648811340332 +elapsed time for k point: 0.9356076717376709 solve_kpoint (0,0.3,0): Solving for bands 1 to 5... linmin: converged after 6 iterations. @@ -12077,7 +12113,7 @@ iteration 24: trace = 0.9752654264419838 (4.50229e-11% change) Finished solving for bands 1 to 5 after 24 iterations. freqs:, 13, 0, 0.3, 0, 0.519615, 0.235132, 0.236238, 0.517406, 0.518221, 0.572633 -elapsed time for k point: 0.7310717105865479 +elapsed time for k point: 0.871816873550415 solve_kpoint (0,0.2,0): Solving for bands 1 to 5... linmin: converged after 7 iterations. @@ -12140,7 +12176,7 @@ iteration 29: trace = 1.018103142805605 (4.34884e-11% change) Finished solving for bands 1 to 5 after 29 iterations. freqs:, 14, 0, 0.2, 0, 0.34641, 0.160616, 0.161417, 0.560554, 0.560855, 0.580923 -elapsed time for k point: 0.7284655570983887 +elapsed time for k point: 1.1661393642425537 solve_kpoint (0,0.1,0): Solving for bands 1 to 5... linmin: converged after 9 iterations. @@ -12223,7 +12259,7 @@ iteration 39: trace = 1.053033043400841 (3.75756e-11% change) Finished solving for bands 1 to 5 after 39 iterations. freqs:, 15, 0, 0.1, 0, 0.173205, 0.0813864, 0.0818061, 0.587706, 0.587881, 0.59052 -elapsed time for k point: 1.1658077239990234 +elapsed time for k point: 4.9896159172058105 solve_kpoint (0,0,0): Solving for bands 3 to 5... linmin: converged after 7 iterations. @@ -12288,7 +12324,7 @@ iteration 30: trace = 1.06475158063571 (6.98405e-11% change) Finished solving for bands 3 to 5 after 30 iterations. freqs:, 16, 0, 0, 0, 0, 0, 0, 0.59559, 0.595819, 0.595839 -elapsed time for k point: 0.495819091796875 +elapsed time for k point: 0.5255482196807861 solve_kpoint (0,0.1,0.1): Solving for bands 1 to 5... linmin: converged after 9 iterations. @@ -12351,7 +12387,7 @@ iteration 29: trace = 1.053900986298104 (7.63534e-11% change) Finished solving for bands 1 to 5 after 29 iterations. freqs:, 17, 0, 0.1, 0.1, 0.2, 0.09409, 0.0944497, 0.585515, 0.585945, 0.591581 -elapsed time for k point: 0.8659794330596924 +elapsed time for k point: 1.204453706741333 solve_kpoint (0,0.2,0.2): Solving for bands 1 to 5... linmin: converged after 7 iterations. @@ -12420,7 +12456,7 @@ iteration 32: trace = 1.050698953929234 (7.03096e-11% change) Finished solving for bands 1 to 5 after 32 iterations. freqs:, 18, 0, 0.2, 0.2, 0.4, 0.185559, 0.18625, 0.566601, 0.567223, 0.582064 -elapsed time for k point: 1.388958215713501 +elapsed time for k point: 1.3693926334381104 solve_kpoint (0,0.3,0.3): Solving for bands 1 to 5... linmin: converged after 4 iterations. @@ -12828,7 +12864,7 @@ iteration 195: trace = 1.068626525299044 (4.77698e-11% change) Finished solving for bands 1 to 5 after 195 iterations. freqs:, 19, 0, 0.3, 0.3, 0.6, 0.271029, 0.271988, 0.546939, 0.547286, 0.567915 -elapsed time for k point: 7.825493574142456 +elapsed time for k point: 13.67963194847107 solve_kpoint (0,0.4,0.4): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -13065,7 +13101,7 @@ iteration 111: trace = 1.073945835690716 (6.83328e-11% change) Finished solving for bands 1 to 5 after 111 iterations. freqs:, 20, 0, 0.4, 0.4, 0.8, 0.343862, 0.344966, 0.517995, 0.519047, 0.546786 -elapsed time for k point: 8.722448825836182 +elapsed time for k point: 10.140121221542358 solve_kpoint (0,0.5,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -13146,7 +13182,7 @@ iteration 38: trace = 1.074849137511867 (9.56888e-11% change) Finished solving for bands 1 to 5 after 38 iterations. freqs:, 21, 0, 0.5, 0.5, 1, 0.38015, 0.381243, 0.495263, 0.496788, 0.541208 -elapsed time for k point: 0.9689586162567139 +elapsed time for k point: 1.9441313743591309 solve_kpoint (0.05,0.55,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -13262,7 +13298,7 @@ iteration 54: trace = 1.072295938991746 (8.26846e-11% change) Finished solving for bands 1 to 5 after 54 iterations. freqs:, 22, 0.05, 0.55, 0.5, 1.00499, 0.381309, 0.382411, 0.495948, 0.497425, 0.535972 -elapsed time for k point: 1.2444629669189453 +elapsed time for k point: 4.06610894203186 solve_kpoint (0.1,0.6,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -13351,7 +13387,7 @@ iteration 41: trace = 1.06896993103593 (7.09773e-11% change) Finished solving for bands 1 to 5 after 41 iterations. freqs:, 23, 0.1, 0.6, 0.5, 1.0198, 0.384516, 0.385642, 0.497116, 0.498376, 0.526207 -elapsed time for k point: 1.4891629219055176 +elapsed time for k point: 1.3810880184173584 solve_kpoint (0.15,0.65,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -13443,7 +13479,7 @@ iteration 43: trace = 1.066421531906148 (5.32821e-11% change) Finished solving for bands 1 to 5 after 43 iterations. freqs:, 24, 0.15, 0.65, 0.5, 1.04403, 0.388899, 0.39006, 0.495493, 0.496211, 0.520859 -elapsed time for k point: 1.375396490097046 +elapsed time for k point: 1.1557886600494385 solve_kpoint (0.2,0.7,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -13535,7 +13571,7 @@ iteration 42: trace = 1.064700431018217 (3.86445e-11% change) Finished solving for bands 1 to 5 after 42 iterations. freqs:, 25, 0.2, 0.7, 0.5, 1.07703, 0.392891, 0.394091, 0.490499, 0.490808, 0.523019 -elapsed time for k point: 1.4350700378417969 +elapsed time for k point: 1.1439034938812256 solve_kpoint (0.25,0.75,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -13694,7 +13730,7 @@ iteration 73: trace = 1.065402856570141 (7.28406e-11% change) Finished solving for bands 1 to 5 after 73 iterations. freqs:, 26, 0.25, 0.75, 0.5, 1.11803, 0.394551, 0.395772, 0.487945, 0.488132, 0.526056 -elapsed time for k point: 2.017220973968506 +elapsed time for k point: 1.777115821838379 solve_kpoint (0.275,0.75,0.475): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -13783,7 +13819,7 @@ iteration 42: trace = 1.057545258821418 (4.69266e-11% change) Finished solving for bands 1 to 5 after 42 iterations. freqs:, 27, 0.275, 0.75, 0.475, 1.09772, 0.391745, 0.39651, 0.484446, 0.491809, 0.5199 -elapsed time for k point: 0.979633092880249 +elapsed time for k point: 4.638750076293945 solve_kpoint (0.3,0.75,0.45): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -13848,7 +13884,7 @@ iteration 30: trace = 1.048737745947215 (6.70747e-11% change) Finished solving for bands 1 to 5 after 30 iterations. freqs:, 28, 0.3, 0.75, 0.45, 1.08167, 0.387217, 0.396766, 0.481876, 0.494898, 0.514052 -elapsed time for k point: 0.6953442096710205 +elapsed time for k point: 0.6958746910095215 solve_kpoint (0.325,0.75,0.425): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -13919,7 +13955,7 @@ iteration 33: trace = 1.042055197882128 (5.94716e-11% change) Finished solving for bands 1 to 5 after 33 iterations. freqs:, 29, 0.325, 0.75, 0.425, 1.07005, 0.383285, 0.396393, 0.480245, 0.4979, 0.509391 -elapsed time for k point: 0.7993857860565186 +elapsed time for k point: 0.7905752658843994 solve_kpoint (0.35,0.75,0.4): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -14002,7 +14038,7 @@ iteration 39: trace = 1.039345689984554 (8.33191e-11% change) Finished solving for bands 1 to 5 after 39 iterations. freqs:, 30, 0.35, 0.75, 0.4, 1.06301, 0.380687, 0.395955, 0.479389, 0.501411, 0.506376 -elapsed time for k point: 0.9842352867126465 +elapsed time for k point: 1.1512694358825684 solve_kpoint (0.375,0.75,0.375): Solving for bands 1 to 5... linmin: converged after 4 iterations. @@ -14118,18 +14154,18 @@ iteration 54: trace = 1.040877620150956 (8.66524e-11% change) Finished solving for bands 1 to 5 after 54 iterations. freqs:, 31, 0.375, 0.75, 0.375, 1.06066, 0.379784, 0.395774, 0.479133, 0.505118, 0.505264 -Felapsed time for k point: 1.5155701637268066 +Felapsed time for k point: 1.5346224308013916 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.3945510789590513 at Vector3<0.25, 0.75, 0.5> Band 2 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.3967658014080589 at Vector3<0.3, 0.75, 0.45> Band 3 range: 0.44237076681729914 at Vector3<0.0, 0.5, 0.0> to 0.5955899630254651 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.4435551651219819 at Vector3<0.0, 0.5, 0.0> to 0.5958191312898842 at Vector3<0.0, 0.0, 0.0> Band 5 range: 0.5030135895148922 at Vector3<0.0, 0.6, 0.4> to 0.5958386856926974 at Vector3<0.0, 0.0, 0.0> Gap from band 2 (0.3967658014080589) to band 3 (0.44237076681729914), 10.869497799550695% -total elapsed time for run: 63.164342403411865 +total elapsed time for run: 80.75722789764404 done -/tmp/meepNmMUdV/test_diamond-0: 63.18s +/tmp/meep1SOGmO/test_diamond-0: 80.79s -/tmp/meepNmMUdV/test_epsilon_input_file-0 +/tmp/meep1SOGmO/test_epsilon_input_file-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -14171,7 +14207,7 @@ 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: 0.00674891471862793 +elapsed time for initialization: 0.010182380676269531 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... @@ -14300,7 +14336,7 @@ iteration 61: trace = 5.414470666068269 (7.21439e-11% change) Finished solving for bands 2 to 8 after 61 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.554399, 0.761333, 0.761334, 0.894089, 0.998343, 0.998344, 1.07475 -elapsed time for k point: 0.5201950073242188 +elapsed time for k point: 0.7025210857391357 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -14349,7 +14385,7 @@ iteration 22: trace = 5.384693219081504 (7.52974e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0879993, 0.552518, 0.748716, 0.762869, 0.888847, 0.992942, 0.998586, 1.07516 -elapsed time for k point: 0.23336219787597656 +elapsed time for k point: 0.321087121963501 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -14392,7 +14428,7 @@ iteration 19: trace = 5.344827613715932 (7.50946e-11% change) Finished solving for bands 1 to 8 after 19 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.175173, 0.545105, 0.716013, 0.766968, 0.874229, 0.997272, 0.999271, 1.07644 -elapsed time for k point: 0.2807893753051758 +elapsed time for k point: 0.2706141471862793 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -14439,7 +14475,7 @@ iteration 21: trace = 5.332538776580064 (2.56833e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.260381, 0.525802, 0.677399, 0.772205, 0.858581, 1.00023, 1.01596, 1.07856 -elapsed time for k point: 0.20762968063354492 +elapsed time for k point: 0.3429372310638428 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -14492,7 +14528,7 @@ iteration 24: trace = 5.352151659035264 (5.86128e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.341313, 0.485827, 0.650379, 0.776592, 0.84814, 1.00112, 1.04085, 1.08101 -elapsed time for k point: 0.24733352661132812 +elapsed time for k point: 0.5221445560455322 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -14534,547 +14570,535 @@ linmin: converged after 6 iterations. iteration 19: trace = 5.378205024912403 (7.29539e-07% change) linmin: converged after 2 iterations. + switching to approximate line minimization (decrease time by 98.4677%) iteration 20: trace = 5.378205008150022 (3.11672e-07% change) - linmin: converged after 2 iterations. - iteration 21: trace = 5.378205002382006 (1.07248e-07% change) - linmin: converged after 2 iterations. - iteration 22: trace = 5.378204997047539 (9.91868e-08% change) - linmin: converged after 2 iterations. - iteration 23: trace = 5.378204992784511 (7.92649e-08% change) - linmin: converged after 6 iterations. - iteration 24: trace = 5.378204989224097 (6.62008e-08% change) - linmin: converged after 3 iterations. - iteration 25: trace = 5.378204987266805 (3.6393e-08% change) - linmin: converged after 17 iterations. - iteration 26: trace = 5.378204986560163 (1.3139e-08% change) - linmin: converged after 17 iterations. - iteration 27: trace = 5.378204986365555 (3.61845e-09% change) - linmin: converged after 5 iterations. - iteration 28: trace = 5.378204986298523 (1.24636e-09% change) - linmin: converged after 4 iterations. - iteration 29: trace = 5.378204986252788 (8.50376e-10% change) - linmin: converged after 6 iterations. - iteration 30: trace = 5.37820498622292 (5.55363e-10% change) - linmin: converged after 3 iterations. - iteration 31: trace = 5.378204986206847 (2.98845e-10% change) - linmin: converged after 3 iterations. + iteration 21: trace = 5.378205002382007 (1.07248e-07% change) + iteration 22: trace = 5.378204997047553 (9.91865e-08% change) + iteration 23: trace = 5.378204992784519 (7.9265e-08% change) + iteration 24: trace = 5.378204989224103 (6.62008e-08% change) + iteration 25: trace = 5.378204987266807 (3.63931e-08% change) + iteration 26: trace = 5.378204986560175 (1.31388e-08% change) + iteration 27: trace = 5.378204986365557 (3.61865e-09% change) + iteration 28: trace = 5.378204986298528 (1.24631e-09% change) + iteration 29: trace = 5.378204986252786 (8.50492e-10% change) + iteration 30: trace = 5.378204986222914 (5.55429e-10% change) + iteration 31: trace = 5.378204986206848 (2.98729e-10% change) iteration 32: trace = 5.378204986199393 (1.38605e-10% change) - linmin: converged after 15 iterations. - iteration 33: trace = 5.378204986194201 (9.65267e-11% change) + iteration 33: trace = 5.378204986194201 (9.65432e-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: 0.9332189559936523 +elapsed time for k point: 2.101494789123535 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. - iteration 1: trace = 5.330842291784984 (1.63265% change) + iteration 1: trace = 5.330842291757711 (1.63265% change) linmin: converged after 5 iterations. - iteration 2: trace = 5.29404612333864 (0.692641% change) + iteration 2: trace = 5.294046123344936 (0.692641% change) linmin: converged after 4 iterations. - iteration 3: trace = 5.284981234180934 (0.171375% change) + iteration 3: trace = 5.284981234218774 (0.171375% change) linmin: converged after 4 iterations. - iteration 4: trace = 5.282498119399746 (0.0469954% change) + iteration 4: trace = 5.28249811944308 (0.0469954% change) + linmin: converged after 6 iterations. + iteration 5: trace = 5.281616824743296 (0.0166847% change) linmin: converged after 4 iterations. - iteration 5: trace = 5.281616824734812 (0.0166847% change) + iteration 6: trace = 5.281190026019688 (0.00808116% change) linmin: converged after 4 iterations. - iteration 6: trace = 5.281190026018346 (0.00808116% change) + iteration 7: trace = 5.281060361590725 (0.00245524% change) linmin: converged after 4 iterations. - iteration 7: trace = 5.281060361590548 (0.00245524% change) + iteration 8: trace = 5.281017317052765 (0.000815077% change) + linmin: converged after 5 iterations. + iteration 9: trace = 5.28100127942862 (0.000303685% change) linmin: converged after 4 iterations. - iteration 8: trace = 5.281017317052713 (0.000815077% change) + iteration 10: trace = 5.28099505189039 (0.000117924% change) + linmin: converged after 5 iterations. + iteration 11: trace = 5.280992817488522 (4.23103e-05% change) linmin: converged after 4 iterations. - iteration 9: trace = 5.281001279428478 (0.000303685% change) - linmin: converged after 3 iterations. - iteration 10: trace = 5.280995051890185 (0.000117924% change) + iteration 12: trace = 5.280991955892315 (1.6315e-05% change) linmin: converged after 3 iterations. - iteration 11: trace = 5.280992817488488 (4.23102e-05% change) + iteration 13: trace = 5.280991779814329 (3.33418e-06% change) linmin: converged after 4 iterations. - iteration 12: trace = 5.280991955892319 (1.6315e-05% change) - linmin: converged after 8 iterations. - iteration 13: trace = 5.280991779814332 (3.33418e-06% change) - linmin: converged after 3 iterations. - iteration 14: trace = 5.280991731376504 (9.17211e-07% change) + iteration 14: trace = 5.28099173137651 (9.17211e-07% change) linmin: converged after 2 iterations. - iteration 15: trace = 5.280991719857131 (2.18129e-07% change) - linmin: converged after 3 iterations. - iteration 16: trace = 5.280991716887279 (5.62366e-08% change) - linmin: converged after 28 iterations. - iteration 17: trace = 5.280991715662336 (2.31953e-08% change) - linmin: converged after 21 iterations. - iteration 18: trace = 5.280991715170658 (9.31033e-09% change) + iteration 15: trace = 5.280991719857134 (2.18129e-07% change) + linmin: converged after 30 iterations. + iteration 16: trace = 5.280991716887277 (5.62367e-08% change) + linmin: converged after 5 iterations. + iteration 17: trace = 5.280991715662335 (2.31953e-08% change) + linmin: converged after 4 iterations. + iteration 18: trace = 5.280991715170661 (9.31026e-09% change) + linmin: converged after 24 iterations. + iteration 19: trace = 5.280991714932148 (4.51643e-09% change) linmin: converged after 4 iterations. - iteration 19: trace = 5.280991714932153 (4.5163e-09% change) + iteration 20: trace = 5.280991714863472 (1.30045e-09% change) + linmin: converged after 5 iterations. + iteration 21: trace = 5.28099171484321 (3.83678e-10% change) linmin: converged after 5 iterations. - iteration 20: trace = 5.280991714863475 (1.30047e-09% change) + iteration 22: trace = 5.280991714835504 (1.45916e-10% change) linmin: converged after 3 iterations. - iteration 21: trace = 5.280991714843208 (3.83779e-10% change) - linmin: converged after 7 iterations. - iteration 22: trace = 5.280991714835511 (1.45748e-10% change) + iteration 23: trace = 5.280991714829536 (1.13003e-10% change) linmin: converged after 3 iterations. - iteration 23: trace = 5.280991714829545 (1.12969e-10% change) - linmin: converged after 5 iterations. - iteration 24: trace = 5.280991714822687 (1.29872e-10% change) - linmin: converged after 4 iterations. - iteration 25: trace = 5.28099171481807 (8.74221e-11% change) + iteration 24: trace = 5.280991714822686 (1.2972e-10% change) + linmin: converged after 6 iterations. + iteration 25: trace = 5.280991714818072 (8.73716e-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: 0.4791703224182129 +elapsed time for k point: 0.3381805419921875 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 5.134764281905371 (0.624371% change) + iteration 1: trace = 5.134764281905364 (0.624371% change) linmin: converged after 5 iterations. - iteration 2: trace = 5.124408367542724 (0.201886% change) + iteration 2: trace = 5.124408367542604 (0.201886% change) linmin: converged after 4 iterations. - iteration 3: trace = 5.122357731850104 (0.040025% change) + iteration 3: trace = 5.122357731849815 (0.040025% change) linmin: converged after 3 iterations. - iteration 4: trace = 5.12174424238796 (0.0119774% change) + iteration 4: trace = 5.121744242387456 (0.0119774% change) linmin: converged after 3 iterations. - iteration 5: trace = 5.121558726682798 (0.00362219% change) + iteration 5: trace = 5.121558726682705 (0.00362219% change) linmin: converged after 4 iterations. - iteration 6: trace = 5.121477742069779 (0.00158126% change) + iteration 6: trace = 5.121477742069757 (0.00158126% change) linmin: converged after 4 iterations. - iteration 7: trace = 5.121447904740887 (0.000582594% change) + iteration 7: trace = 5.121447904740869 (0.000582594% change) linmin: converged after 4 iterations. - iteration 8: trace = 5.121439718676667 (0.000159839% change) - linmin: converged after 6 iterations. - iteration 9: trace = 5.121437287250298 (4.74755e-05% change) + iteration 8: trace = 5.121439718676664 (0.000159839% change) + linmin: converged after 4 iterations. + iteration 9: trace = 5.121437287250291 (4.74755e-05% change) linmin: converged after 2 iterations. - iteration 10: trace = 5.121436809310326 (9.33215e-06% change) - linmin: converged after 5 iterations. - iteration 11: trace = 5.121436715075805 (1.84e-06% change) + iteration 10: trace = 5.121436809310323 (9.33215e-06% change) + linmin: converged after 12 iterations. + iteration 11: trace = 5.121436715075803 (1.84e-06% change) linmin: converged after 2 iterations. - iteration 12: trace = 5.1214366855107 (5.77281e-07% change) - linmin: converged after 4 iterations. - iteration 13: trace = 5.121436680112657 (1.05401e-07% change) - linmin: converged after 4 iterations. - iteration 14: trace = 5.121436678590915 (2.97132e-08% change) + iteration 12: trace = 5.121436685510692 (5.77282e-07% change) linmin: converged after 2 iterations. - iteration 15: trace = 5.121436678180302 (8.01753e-09% change) - linmin: converged after 9 iterations. - iteration 16: trace = 5.121436678101738 (1.53404e-09% change) - linmin: converged after 7 iterations. - iteration 17: trace = 5.1214366780824 (3.77578e-10% change) - linmin: converged after 6 iterations. - iteration 18: trace = 5.121436678073881 (1.66348e-10% change) + iteration 13: trace = 5.121436680112646 (1.05401e-07% change) + linmin: converged after 19 iterations. + iteration 14: trace = 5.121436678590911 (2.97131e-08% change) linmin: converged after 4 iterations. - iteration 19: trace = 5.121436678060031 (2.7042e-10% change) + iteration 15: trace = 5.121436678180298 (8.01753e-09% change) + linmin: converged after 10 iterations. + iteration 16: trace = 5.121436678101738 (1.53395e-09% change) linmin: converged after 6 iterations. - iteration 20: trace = 5.121436678042873 (3.35037e-10% change) - linmin: converged after 2 iterations. - iteration 21: trace = 5.121436678033497 (1.83066e-10% change) - linmin: converged after 11 iterations. - iteration 22: trace = 5.121436678029987 (6.8537e-11% change) + iteration 17: trace = 5.121436678082408 (3.77422e-10% change) + linmin: converged after 3 iterations. + iteration 18: trace = 5.12143667807388 (1.66521e-10% change) + linmin: converged after 3 iterations. + iteration 19: trace = 5.121436678060033 (2.70368e-10% change) + linmin: converged after 4 iterations. + iteration 20: trace = 5.121436678042873 (3.35072e-10% change) + linmin: converged after 3 iterations. + iteration 21: trace = 5.121436678033498 (1.83049e-10% change) + linmin: converged after 4 iterations. + iteration 22: trace = 5.121436678029978 (6.87278e-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: 0.8439643383026123 +elapsed time for k point: 0.4506850242614746 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 4.994388823457157 (0.316337% change) + iteration 1: trace = 4.994388823457369 (0.316337% change) linmin: converged after 4 iterations. - iteration 2: trace = 4.990236163390585 (0.0831811% change) + iteration 2: trace = 4.990236163392882 (0.0831811% change) linmin: converged after 4 iterations. - iteration 3: trace = 4.989513812258216 (0.0144763% change) + iteration 3: trace = 4.989513812263474 (0.0144763% change) linmin: converged after 4 iterations. - iteration 4: trace = 4.989343647112834 (0.00341051% change) + iteration 4: trace = 4.989343647120119 (0.00341051% change) linmin: converged after 3 iterations. - iteration 5: trace = 4.989291241668816 (0.00105035% change) + iteration 5: trace = 4.98929124166954 (0.00105035% change) + linmin: converged after 4 iterations. + iteration 6: trace = 4.989274244813458 (0.000340667% change) linmin: converged after 5 iterations. - iteration 6: trace = 4.989274244813382 (0.000340667% change) + iteration 7: trace = 4.989267787671142 (0.000129421% change) linmin: converged after 5 iterations. - iteration 7: trace = 4.989267787671027 (0.000129421% change) - linmin: converged after 4 iterations. - iteration 8: trace = 4.989266097922126 (3.38677e-05% change) + iteration 8: trace = 4.989266097922179 (3.38677e-05% change) + linmin: converged after 5 iterations. + iteration 9: trace = 4.989265604082194 (9.89805e-06% change) linmin: converged after 4 iterations. - iteration 9: trace = 4.989265604082178 (9.89805e-06% change) + iteration 10: trace = 4.989265515601319 (1.77342e-06% change) linmin: converged after 3 iterations. - iteration 10: trace = 4.989265515601312 (1.77342e-06% change) + iteration 11: trace = 4.98926550120693 (2.88507e-07% change) + linmin: converged after 11 iterations. + iteration 12: trace = 4.989265496708835 (9.01555e-08% change) + linmin: converged after 12 iterations. + iteration 13: trace = 4.989265495704005 (2.01398e-08% change) linmin: converged after 19 iterations. - iteration 11: trace = 4.989265501206923 (2.88507e-07% change) - linmin: converged after 3 iterations. - iteration 12: trace = 4.989265496708839 (9.01552e-08% change) - linmin: converged after 4 iterations. - iteration 13: trace = 4.989265495704011 (2.01398e-08% change) - linmin: converged after 21 iterations. - iteration 14: trace = 4.989265495448894 (5.11331e-09% change) - linmin: converged after 10 iterations. - iteration 15: trace = 4.989265495393171 (1.11687e-09% change) - linmin: converged after 5 iterations. - iteration 16: trace = 4.989265495383631 (1.91209e-10% change) + iteration 14: trace = 4.989265495448893 (5.11323e-09% change) + linmin: converged after 11 iterations. + iteration 15: trace = 4.989265495393168 (1.1169e-09% change) linmin: converged after 3 iterations. - iteration 17: trace = 4.989265495381124 (5.02366e-11% change) + iteration 16: trace = 4.98926549538363 (1.91173e-10% change) + linmin: converged after 2 iterations. + iteration 17: trace = 4.989265495381123 (5.02366e-11% change) Finished solving for bands 1 to 8 after 17 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.472164, 0.488272, 0.604358, 0.769828, 0.821208, 0.893668, 0.95752, 1.08635 -elapsed time for k point: 0.4772200584411621 +elapsed time for k point: 0.4278528690338135 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 4.909138536844211 (0.232394% change) + iteration 1: trace = 4.909138536844625 (0.232394% change) linmin: converged after 4 iterations. - iteration 2: trace = 4.906563118934637 (0.0524755% change) + iteration 2: trace = 4.906563118935381 (0.0524755% change) linmin: converged after 4 iterations. - iteration 3: trace = 4.906119641584239 (0.00903886% change) - linmin: converged after 3 iterations. - iteration 4: trace = 4.906037816827293 (0.00166782% change) - linmin: converged after 3 iterations. - iteration 5: trace = 4.906013084889064 (0.000504114% change) - linmin: converged after 14 iterations. - iteration 6: trace = 4.90600738959164 (0.000116088% change) + iteration 3: trace = 4.906119641585734 (0.00903886% change) + linmin: converged after 4 iterations. + iteration 4: trace = 4.906037816828955 (0.00166782% change) + linmin: converged after 13 iterations. + iteration 5: trace = 4.906013084889159 (0.000504114% change) + linmin: converged after 9 iterations. + iteration 6: trace = 4.906007389591645 (0.000116088% change) linmin: converged after 4 iterations. iteration 7: trace = 4.906005834953579 (3.16885e-05% change) - linmin: converged after 21 iterations. - iteration 8: trace = 4.906005406698485 (8.7292e-06% change) + linmin: converged after 23 iterations. + iteration 8: trace = 4.906005406698482 (8.7292e-06% change) linmin: converged after 2 iterations. - iteration 9: trace = 4.906005254385232 (3.10463e-06% change) - linmin: converged after 18 iterations. - iteration 10: trace = 4.906005216417528 (7.73903e-07% change) - linmin: converged after 3 iterations. - iteration 11: trace = 4.906005209418575 (1.42661e-07% change) + iteration 9: trace = 4.90600525438523 (3.10463e-06% change) + linmin: converged after 13 iterations. + iteration 10: trace = 4.906005216417526 (7.73903e-07% change) + linmin: converged after 4 iterations. + iteration 11: trace = 4.906005209418566 (1.42661e-07% change) linmin: converged after 3 iterations. - iteration 12: trace = 4.906005206803123 (5.33112e-08% change) + iteration 12: trace = 4.906005206803117 (5.33112e-08% change) + linmin: converged after 2 iterations. + iteration 13: trace = 4.906005206252119 (1.12311e-08% change) + linmin: converged after 10 iterations. + iteration 14: trace = 4.906005206142126 (2.24201e-09% change) + linmin: converged after 4 iterations. + iteration 15: trace = 4.906005206125061 (3.4783e-10% change) linmin: converged after 3 iterations. - iteration 13: trace = 4.906005206252121 (1.12312e-08% change) - linmin: converged after 15 iterations. - iteration 14: trace = 4.906005206142125 (2.24206e-09% change) - linmin: converged after 5 iterations. - iteration 15: trace = 4.906005206125053 (3.47993e-10% change) - linmin: converged after 8 iterations. - iteration 16: trace = 4.906005206120705 (8.86186e-11% change) + iteration 16: trace = 4.906005206120699 (8.89264e-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: 0.3428318500518799 +elapsed time for k point: 0.3481273651123047 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. - iteration 1: trace = 4.880387825184451 (0.204402% change) + iteration 1: trace = 4.880387825184584 (0.204402% change) linmin: converged after 4 iterations. - iteration 2: trace = 4.878237626561798 (0.0440677% change) + iteration 2: trace = 4.878237626561889 (0.0440677% change) linmin: converged after 4 iterations. - iteration 3: trace = 4.877861752866675 (0.00770541% change) + iteration 3: trace = 4.877861752866825 (0.00770541% change) linmin: converged after 4 iterations. - iteration 4: trace = 4.87779955496002 (0.00127511% change) + iteration 4: trace = 4.877799554960164 (0.00127511% change) linmin: converged after 2 iterations. - iteration 5: trace = 4.877780932666951 (0.000381777% change) - linmin: converged after 3 iterations. + iteration 5: trace = 4.877780932666959 (0.000381777% change) + linmin: converged after 4 iterations. iteration 6: trace = 4.877777338735246 (7.36797e-05% change) linmin: converged after 2 iterations. - iteration 7: trace = 4.877776722798982 (1.26274e-05% change) + iteration 7: trace = 4.877776722798981 (1.26274e-05% change) linmin: converged after 2 iterations. - iteration 8: trace = 4.877776610093842 (2.31058e-06% change) + iteration 8: trace = 4.877776610093838 (2.31058e-06% change) linmin: converged after 2 iterations. - iteration 9: trace = 4.877776584075416 (5.33407e-07% change) + iteration 9: trace = 4.877776584075418 (5.33407e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.877776575591742 (1.73925e-07% change) + linmin: converged after 20 iterations. + iteration 11: trace = 4.877776573289265 (4.72034e-08% change) linmin: converged after 2 iterations. - iteration 11: trace = 4.877776573289267 (4.72034e-08% change) + iteration 12: trace = 4.877776572070431 (2.49875e-08% change) linmin: converged after 2 iterations. - iteration 12: trace = 4.877776572070434 (2.49875e-08% change) - linmin: converged after 3 iterations. - iteration 13: trace = 4.877776571775754 (6.04129e-09% change) + iteration 13: trace = 4.87777657177575 (6.04129e-09% change) + linmin: converged after 5 iterations. + iteration 14: trace = 4.877776571718369 (1.17637e-09% change) linmin: converged after 3 iterations. - iteration 14: trace = 4.877776571718371 (1.17641e-09% change) - linmin: converged after 7 iterations. - iteration 15: trace = 4.877776571708919 (1.93777e-10% change) - linmin: converged after 7 iterations. - iteration 16: trace = 4.877776571705258 (7.50562e-11% change) + iteration 15: trace = 4.877776571708917 (1.93795e-10% change) + linmin: converged after 6 iterations. + iteration 16: trace = 4.877776571705256 (7.50379e-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: 0.3032221794128418 +elapsed time for k point: 0.3556838035583496 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. - iteration 1: trace = 4.939234288026457 (0.398492% change) + iteration 1: trace = 4.939234288026475 (0.398492% change) linmin: converged after 4 iterations. - iteration 2: trace = 4.934705211880211 (0.091738% change) + iteration 2: trace = 4.934705211880291 (0.091738% change) linmin: converged after 4 iterations. - iteration 3: trace = 4.933808978362581 (0.0181635% change) + iteration 3: trace = 4.933808978362745 (0.0181635% change) linmin: converged after 4 iterations. - iteration 4: trace = 4.933618724668675 (0.0038562% change) + iteration 4: trace = 4.933618724668882 (0.0038562% change) linmin: converged after 4 iterations. - iteration 5: trace = 4.933561794539686 (0.00115393% change) + iteration 5: trace = 4.933561794539704 (0.00115393% change) linmin: converged after 5 iterations. iteration 6: trace = 4.933546467636374 (0.000310667% change) - linmin: converged after 5 iterations. - iteration 7: trace = 4.933542429887031 (8.18428e-05% change) linmin: converged after 4 iterations. - iteration 8: trace = 4.933541498295165 (1.88828e-05% change) + iteration 7: trace = 4.933542429887027 (8.18428e-05% change) linmin: converged after 3 iterations. + iteration 8: trace = 4.933541498295165 (1.88828e-05% change) + linmin: converged after 28 iterations. iteration 9: trace = 4.933541269558869 (4.63635e-06% change) linmin: converged after 2 iterations. - iteration 10: trace = 4.933541218844871 (1.02794e-06% change) - linmin: converged after 3 iterations. - iteration 11: trace = 4.933541212739493 (1.23752e-07% change) - linmin: converged after 2 iterations. - iteration 12: trace = 4.933541210751461 (4.02962e-08% change) - linmin: converged after 8 iterations. - iteration 13: trace = 4.933541210308102 (8.98663e-09% change) + iteration 10: trace = 4.933541218844824 (1.02794e-06% change) linmin: converged after 4 iterations. - iteration 14: trace = 4.933541210231291 (1.55691e-09% change) + iteration 11: trace = 4.933541212739464 (1.23752e-07% change) + linmin: converged after 2 iterations. + iteration 12: trace = 4.933541210751454 (4.02958e-08% change) linmin: converged after 4 iterations. - iteration 15: trace = 4.933541210216972 (2.90242e-10% change) + iteration 13: trace = 4.9335412103081 (8.98652e-09% change) + linmin: converged after 3 iterations. + iteration 14: trace = 4.933541210231286 (1.55698e-09% change) + linmin: converged after 2 iterations. + iteration 15: trace = 4.933541210216973 (2.90116e-10% change) linmin: converged after 4 iterations. - iteration 16: trace = 4.93354121021467 (4.66634e-11% change) + iteration 16: trace = 4.93354121021467 (4.66814e-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: 0.30820775032043457 +elapsed time for k point: 0.3368568420410156 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. - iteration 1: trace = 5.09950711216279 (0.487571% change) + iteration 1: trace = 5.099507112130857 (0.487571% change) linmin: converged after 5 iterations. - iteration 2: trace = 5.090581721310897 (0.175178% change) + iteration 2: trace = 5.090581721295381 (0.175178% change) linmin: converged after 4 iterations. - iteration 3: trace = 5.088071827632202 (0.0493168% change) + iteration 3: trace = 5.088071827619801 (0.0493168% change) linmin: converged after 4 iterations. - iteration 4: trace = 5.087225562915948 (0.0166337% change) + iteration 4: trace = 5.08722556290027 (0.0166337% change) linmin: converged after 4 iterations. - iteration 5: trace = 5.086961938953231 (0.00518221% change) + iteration 5: trace = 5.086961938949939 (0.00518221% change) linmin: converged after 4 iterations. - iteration 6: trace = 5.086853665324336 (0.00212848% change) + iteration 6: trace = 5.086853665324016 (0.00212848% change) linmin: converged after 4 iterations. - iteration 7: trace = 5.086807094856566 (0.000915511% change) - linmin: converged after 5 iterations. - iteration 8: trace = 5.086793518222221 (0.000266899% change) + iteration 7: trace = 5.086807094856626 (0.000915511% change) + linmin: converged after 3 iterations. + iteration 8: trace = 5.086793518222259 (0.000266899% change) linmin: converged after 3 iterations. iteration 9: trace = 5.086790021445188 (6.87423e-05% change) linmin: converged after 3 iterations. - iteration 10: trace = 5.086789203381458 (1.60821e-05% change) + iteration 10: trace = 5.086789203381448 (1.60821e-05% change) + linmin: converged after 2 iterations. + iteration 11: trace = 5.086789045520227 (3.10336e-06% change) + linmin: converged after 13 iterations. + iteration 12: trace = 5.086788991806463 (1.05595e-06% change) + linmin: converged after 7 iterations. + iteration 13: trace = 5.086788981872497 (1.9529e-07% change) + linmin: converged after 22 iterations. + iteration 14: trace = 5.086788979939779 (3.79949e-08% change) linmin: converged after 4 iterations. - iteration 11: trace = 5.08678904552023 (3.10336e-06% change) - linmin: converged after 3 iterations. - iteration 12: trace = 5.086788991806468 (1.05595e-06% change) + iteration 15: trace = 5.086788979425322 (1.01136e-08% change) linmin: converged after 4 iterations. - iteration 13: trace = 5.086788981872509 (1.95289e-07% change) - linmin: converged after 3 iterations. - iteration 14: trace = 5.086788979939783 (3.7995e-08% change) + iteration 16: trace = 5.086788979343629 (1.60598e-09% change) linmin: converged after 3 iterations. - iteration 15: trace = 5.086788979425329 (1.01135e-08% change) - linmin: converged after 4 iterations. - iteration 16: trace = 5.086788979343621 (1.60628e-09% change) + iteration 17: trace = 5.086788979319497 (4.74402e-10% change) + linmin: converged after 16 iterations. + iteration 18: trace = 5.086788979306888 (2.47869e-10% change) linmin: converged after 6 iterations. - iteration 17: trace = 5.086788979319499 (4.7421e-10% change) - linmin: converged after 7 iterations. - iteration 18: trace = 5.086788979306894 (2.47799e-10% change) - linmin: converged after 9 iterations. - iteration 19: trace = 5.086788979301443 (1.07155e-10% change) - linmin: converged after 4 iterations. - iteration 20: trace = 5.086788979299675 (3.47464e-11% change) + iteration 19: trace = 5.086788979301446 (1.06998e-10% change) + linmin: converged after 5 iterations. + 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: 0.3113892078399658 +elapsed time for k point: 0.422832727432251 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. - iteration 1: trace = 5.309330906730342 (0.847184% change) + iteration 1: trace = 5.309330906728825 (0.847184% change) linmin: converged after 5 iterations. - iteration 2: trace = 5.280371277324799 (0.546939% change) + iteration 2: trace = 5.280371277326813 (0.546939% change) linmin: converged after 4 iterations. - iteration 3: trace = 5.269934727134993 (0.197844% change) + iteration 3: trace = 5.269934727147261 (0.197844% change) linmin: converged after 4 iterations. - iteration 4: trace = 5.265762219364312 (0.0792071% change) + iteration 4: trace = 5.26576221938867 (0.0792071% change) linmin: converged after 4 iterations. - iteration 5: trace = 5.264459973518456 (0.0247335% change) + iteration 5: trace = 5.264459973524071 (0.0247335% change) linmin: converged after 4 iterations. - iteration 6: trace = 5.263804604149962 (0.0124497% change) - linmin: converged after 3 iterations. - iteration 7: trace = 5.263469633537655 (0.00636386% change) - linmin: converged after 3 iterations. - iteration 8: trace = 5.263325108730882 (0.00274585% change) - linmin: converged after 6 iterations. - iteration 9: trace = 5.263272539866859 (0.000998782% change) + iteration 6: trace = 5.26380460415083 (0.0124497% change) linmin: converged after 3 iterations. - iteration 10: trace = 5.263261122021758 (0.000216935% change) + iteration 7: trace = 5.263469633537982 (0.00636386% change) linmin: converged after 3 iterations. - iteration 11: trace = 5.263257754583083 (6.39801e-05% change) + iteration 8: trace = 5.263325108731253 (0.00274585% change) linmin: converged after 4 iterations. - iteration 12: trace = 5.263256795625349 (1.82199e-05% change) + iteration 9: trace = 5.26327253986722 (0.000998782% change) linmin: converged after 3 iterations. - iteration 13: trace = 5.263256607031205 (3.58322e-06% change) - linmin: converged after 2 iterations. - iteration 14: trace = 5.263256551248049 (1.05986e-06% change) + iteration 10: trace = 5.26326112202188 (0.000216935% change) linmin: converged after 3 iterations. - iteration 15: trace = 5.263256530468796 (3.94798e-07% change) + iteration 11: trace = 5.263257754583092 (6.39801e-05% change) linmin: converged after 3 iterations. - iteration 16: trace = 5.263256521693531 (1.66727e-07% change) - linmin: converged after 4 iterations. - iteration 17: trace = 5.263256515340482 (1.20706e-07% change) - linmin: converged after 4 iterations. - iteration 18: trace = 5.263256513415705 (3.65701e-08% change) + iteration 12: trace = 5.263256795625346 (1.82199e-05% change) + linmin: converged after 3 iterations. + iteration 13: trace = 5.263256607031206 (3.58322e-06% change) + linmin: converged after 2 iterations. + iteration 14: trace = 5.263256551248047 (1.05986e-06% change) linmin: converged after 18 iterations. - iteration 19: trace = 5.263256512765319 (1.23571e-08% change) + iteration 15: trace = 5.263256530468798 (3.94798e-07% change) + linmin: converged after 10 iterations. + iteration 16: trace = 5.263256521693547 (1.66727e-07% change) + linmin: converged after 12 iterations. + iteration 17: trace = 5.263256515340471 (1.20706e-07% change) linmin: converged after 4 iterations. - iteration 20: trace = 5.263256512526155 (4.54404e-09% change) - linmin: converged after 17 iterations. - iteration 21: trace = 5.263256512381847 (2.74179e-09% change) - linmin: converged after 6 iterations. - iteration 22: trace = 5.263256512319999 (1.1751e-09% change) - linmin: converged after 5 iterations. - iteration 23: trace = 5.263256512296811 (4.40558e-10% change) + iteration 18: trace = 5.263256513415704 (3.65699e-08% change) + linmin: converged after 3 iterations. + iteration 19: trace = 5.263256512765331 (1.23569e-08% change) + linmin: converged after 4 iterations. + iteration 20: trace = 5.263256512526162 (4.54412e-09% change) linmin: converged after 6 iterations. - iteration 24: trace = 5.263256512290631 (1.17434e-10% change) + iteration 21: trace = 5.263256512381846 (2.74195e-09% change) + linmin: converged after 7 iterations. + iteration 22: trace = 5.263256512320003 (1.17501e-09% change) + linmin: converged after 2 iterations. + iteration 23: trace = 5.263256512296811 (4.40625e-10% change) linmin: converged after 6 iterations. - iteration 25: trace = 5.263256512288835 (3.41214e-11% change) + iteration 24: trace = 5.263256512290628 (1.17484e-10% change) + linmin: converged after 3 iterations. + iteration 25: trace = 5.263256512288841 (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: 0.40448665618896484 +elapsed time for k point: 0.5637900829315186 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. - iteration 1: trace = 5.410850204127255 (1.34359% change) + iteration 1: trace = 5.410850204136943 (1.34359% change) linmin: converged after 5 iterations. - iteration 2: trace = 5.374437224942905 (0.675234% change) + iteration 2: trace = 5.374437224940355 (0.675234% change) linmin: converged after 4 iterations. - iteration 3: trace = 5.366093703693424 (0.155365% change) + iteration 3: trace = 5.366093703679224 (0.155365% change) linmin: converged after 4 iterations. - iteration 4: trace = 5.363891157768965 (0.041054% change) + iteration 4: trace = 5.363891157750996 (0.041054% change) linmin: converged after 3 iterations. - iteration 5: trace = 5.363304623246647 (0.0109355% change) + iteration 5: trace = 5.363304623243023 (0.0109355% change) linmin: converged after 3 iterations. - iteration 6: trace = 5.363093120245635 (0.0039436% change) + iteration 6: trace = 5.363093120245281 (0.0039436% change) linmin: converged after 3 iterations. - iteration 7: trace = 5.363009973967524 (0.00155035% change) - linmin: converged after 12 iterations. - iteration 8: trace = 5.36296230885997 (0.000888779% change) - linmin: converged after 5 iterations. - iteration 9: trace = 5.362928148997674 (0.000636961% change) + iteration 7: trace = 5.363009973967527 (0.00155035% change) linmin: converged after 3 iterations. - iteration 10: trace = 5.362908167194895 (0.000372592% change) - linmin: converged after 3 iterations. - iteration 11: trace = 5.362897445562917 (0.000199922% change) - linmin: converged after 10 iterations. - iteration 12: trace = 5.36289083229464 (0.000123315% change) - linmin: converged after 11 iterations. - iteration 13: trace = 5.362888873060142 (3.65332e-05% change) + iteration 8: trace = 5.36296230885999 (0.000888779% change) linmin: converged after 4 iterations. - iteration 14: trace = 5.362888159902996 (1.3298e-05% change) + iteration 9: trace = 5.362928148998048 (0.000636961% change) linmin: converged after 4 iterations. - iteration 15: trace = 5.362887935137234 (4.19113e-06% change) - linmin: converged after 8 iterations. - iteration 16: trace = 5.362887877004615 (1.08398e-06% change) - linmin: converged after 6 iterations. - iteration 17: trace = 5.362887858604033 (3.4311e-07% change) - linmin: converged after 19 iterations. - iteration 18: trace = 5.362887851988788 (1.23352e-07% change) + iteration 10: trace = 5.362908167195109 (0.000372592% change) linmin: converged after 3 iterations. - iteration 19: trace = 5.362887849877572 (3.93671e-08% change) - linmin: converged after 8 iterations. - iteration 20: trace = 5.362887849213489 (1.23829e-08% change) - linmin: converged after 5 iterations. - iteration 21: trace = 5.362887849013022 (3.73805e-09% change) - linmin: converged after 22 iterations. - iteration 22: trace = 5.362887848952667 (1.12542e-09% change) + iteration 11: trace = 5.362897445563012 (0.000199922% change) + linmin: converged after 6 iterations. + iteration 12: trace = 5.362890832294601 (0.000123315% change) linmin: converged after 3 iterations. - iteration 23: trace = 5.362887848922164 (5.68774e-10% change) + iteration 13: trace = 5.362888873060159 (3.65332e-05% change) + linmin: converged after 7 iterations. + iteration 14: trace = 5.362888159902989 (1.3298e-05% change) + linmin: converged after 13 iterations. + iteration 15: trace = 5.362887935137241 (4.19113e-06% change) + linmin: converged after 7 iterations. + iteration 16: trace = 5.362887877004688 (1.08398e-06% change) linmin: converged after 4 iterations. - iteration 24: trace = 5.362887848904127 (3.36332e-10% change) - linmin: converged after 16 iterations. - iteration 25: trace = 5.362887848892482 (2.17139e-10% change) - linmin: converged after 9 iterations. - iteration 26: trace = 5.362887848885797 (1.24659e-10% change) + iteration 17: trace = 5.362887858604079 (3.4311e-07% change) + linmin: converged after 2 iterations. + iteration 18: trace = 5.36288785198882 (1.23353e-07% change) + linmin: converged after 14 iterations. + iteration 19: trace = 5.362887849877588 (3.93674e-08% change) + linmin: converged after 4 iterations. + iteration 20: trace = 5.362887849213494 (1.23832e-08% change) + linmin: converged after 4 iterations. + iteration 21: trace = 5.362887849013017 (3.73823e-09% change) + linmin: converged after 4 iterations. + iteration 22: trace = 5.362887848952668 (1.12531e-09% change) + linmin: converged after 3 iterations. + iteration 23: trace = 5.362887848922171 (5.68675e-10% change) + linmin: converged after 18 iterations. + iteration 24: trace = 5.362887848904124 (3.36515e-10% change) + linmin: converged after 17 iterations. + iteration 25: trace = 5.362887848892488 (2.16973e-10% change) + linmin: converged after 6 iterations. + iteration 26: trace = 5.362887848885796 (1.24775e-10% change) linmin: converged after 6 iterations. - iteration 27: trace = 5.362887848881173 (8.62195e-11% change) + iteration 27: trace = 5.362887848881178 (8.61202e-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: 0.45803213119506836 +elapsed time for k point: 0.5137190818786621 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. - iteration 1: trace = 5.461006864450057 (1.06365% change) + iteration 1: trace = 5.461006864434179 (1.06365% change) linmin: converged after 5 iterations. - iteration 2: trace = 5.432871450760013 (0.516536% change) + iteration 2: trace = 5.432871450729106 (0.516536% change) linmin: converged after 5 iterations. - iteration 3: trace = 5.42268849791254 (0.187608% change) + iteration 3: trace = 5.422688497739056 (0.187608% change) linmin: converged after 5 iterations. - iteration 4: trace = 5.417696175639966 (0.092106% change) + iteration 4: trace = 5.417696175080762 (0.092106% change) linmin: converged after 3 iterations. - iteration 5: trace = 5.416105681037619 (0.0293617% change) + iteration 5: trace = 5.416105680853041 (0.0293617% change) linmin: converged after 4 iterations. - iteration 6: trace = 5.415171295320584 (0.0172535% change) + iteration 6: trace = 5.41517129530612 (0.0172535% change) linmin: converged after 4 iterations. - iteration 7: trace = 5.414783176173547 (0.00716751% change) + iteration 7: trace = 5.414783176172124 (0.00716751% change) linmin: converged after 4 iterations. - iteration 8: trace = 5.414648244037634 (0.00249195% change) + iteration 8: trace = 5.414648244035767 (0.00249195% change) linmin: converged after 4 iterations. - iteration 9: trace = 5.414594483996364 (0.000992868% change) + iteration 9: trace = 5.414594483992266 (0.000992868% change) linmin: converged after 3 iterations. - iteration 10: trace = 5.414576265050929 (0.000336479% change) + iteration 10: trace = 5.414576265046188 (0.000336479% change) linmin: converged after 3 iterations. - iteration 11: trace = 5.414564861069105 (0.000210617% change) + iteration 11: trace = 5.414564861065888 (0.000210617% change) linmin: converged after 5 iterations. - iteration 12: trace = 5.414555419970065 (0.000174365% change) - linmin: converged after 17 iterations. - iteration 13: trace = 5.414537376508578 (0.00033324% change) + iteration 12: trace = 5.414555419968357 (0.000174365% change) + linmin: converged after 5 iterations. + iteration 13: trace = 5.414537376507948 (0.00033324% change) large trace change predicted (0.000679766%) linmin: converged after 5 iterations. - iteration 14: trace = 5.414500553000028 (0.000680088% change) - linmin: converged after 7 iterations. - iteration 15: trace = 5.414478702494632 (0.000403556% change) + iteration 14: trace = 5.414500552999541 (0.000680088% change) + linmin: converged after 5 iterations. + iteration 15: trace = 5.414478702493117 (0.000403556% change) linmin: converged after 5 iterations. - iteration 16: trace = 5.414472728543718 (0.000110333% change) + iteration 16: trace = 5.414472728542655 (0.000110333% change) linmin: converged after 4 iterations. - iteration 17: trace = 5.4144713305419 (2.58197e-05% change) + iteration 17: trace = 5.414471330541827 (2.58197e-05% change) + linmin: converged after 4 iterations. + iteration 18: trace = 5.414470844198767 (8.98228e-06% change) linmin: converged after 4 iterations. - iteration 18: trace = 5.414470844198768 (8.98228e-06% change) - linmin: converged after 3 iterations. iteration 19: trace = 5.414470719354928 (2.30574e-06% change) linmin: converged after 3 iterations. - iteration 20: trace = 5.41447068131429 (7.02574e-07% change) + iteration 20: trace = 5.414470681314289 (7.02574e-07% change) + linmin: converged after 10 iterations. + iteration 21: trace = 5.41447067048057 (2.00088e-07% change) + linmin: converged after 24 iterations. + iteration 22: trace = 5.414470667611976 (5.29801e-08% change) + linmin: converged after 20 iterations. + iteration 23: trace = 5.414470666661456 (1.75552e-08% change) linmin: converged after 4 iterations. - iteration 21: trace = 5.414470670480572 (2.00088e-07% change) - linmin: converged after 2 iterations. - iteration 22: trace = 5.414470667611978 (5.29801e-08% change) - linmin: converged after 3 iterations. - iteration 23: trace = 5.414470666661455 (1.75552e-08% change) + iteration 24: trace = 5.414470666362711 (5.51753e-09% change) linmin: converged after 4 iterations. - iteration 24: trace = 5.414470666362712 (5.51748e-09% change) - linmin: converged after 3 iterations. - iteration 25: trace = 5.414470666267753 (1.75381e-09% change) - linmin: converged after 14 iterations. - iteration 26: trace = 5.414470666221955 (8.45829e-10% change) + iteration 25: trace = 5.414470666267745 (1.75394e-09% change) + linmin: converged after 8 iterations. + iteration 26: trace = 5.414470666221949 (8.45796e-10% change) linmin: converged after 3 iterations. - iteration 27: trace = 5.414470666193713 (5.21608e-10% change) + iteration 27: trace = 5.414470666193711 (5.21526e-10% change) linmin: converged after 6 iterations. - iteration 28: trace = 5.414470666171704 (4.06486e-10% change) - linmin: converged after 13 iterations. - iteration 29: trace = 5.414470666155404 (3.01042e-10% change) - linmin: converged after 3 iterations. - iteration 30: trace = 5.414470666140535 (2.74616e-10% change) + iteration 28: trace = 5.414470666171704 (4.06453e-10% change) + linmin: converged after 9 iterations. + iteration 29: trace = 5.414470666155401 (3.01108e-10% change) + linmin: converged after 2 iterations. + iteration 30: trace = 5.414470666140533 (2.74599e-10% change) + linmin: converged after 7 iterations. + iteration 31: trace = 5.41447066612216 (3.39329e-10% change) linmin: converged after 5 iterations. - iteration 31: trace = 5.414470666122158 (3.39411e-10% change) - linmin: converged after 3 iterations. - iteration 32: trace = 5.414470666102798 (3.57553e-10% change) + iteration 32: trace = 5.414470666102797 (3.57619e-10% change) linmin: converged after 3 iterations. - iteration 33: trace = 5.414470666086904 (2.93562e-10% change) - linmin: converged after 2 iterations. - iteration 34: trace = 5.414470666075434 (2.11822e-10% change) + iteration 33: trace = 5.414470666086894 (2.9371e-10% change) + linmin: converged after 5 iterations. + iteration 34: trace = 5.414470666075442 (2.11494e-10% change) linmin: converged after 4 iterations. - iteration 35: trace = 5.414470666069082 (1.1732e-10% change) - linmin: converged after 6 iterations. - iteration 36: trace = 5.414470666066688 (4.42246e-11% change) + iteration 35: trace = 5.41447066606909 (1.1732e-10% change) + linmin: converged after 2 iterations. + iteration 36: trace = 5.414470666066691 (4.43066e-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: 0.20986247062683105 -Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4970977843772997 at Vector3<0.5, 0.5, 0.0> -Band 2 range: 0.44028964105059665 at Vector3<0.5, 0.0, 0.0> to 0.5781812856814895 at Vector3<0.5, 0.5, 0.0> -Band 3 range: 0.5781815082009809 at Vector3<0.5, 0.5, 0.0> to 0.7613327775255613 at Vector3<0.0, 0.0, 0.0> -Band 4 range: 0.6689126424359757 at Vector3<0.5, 0.5, 0.0> to 0.8051999839699233 at Vector3<0.3, 0.3, 0.0> -Band 5 range: 0.8170847453549128 at Vector3<0.3, 0.3, 0.0> to 0.8940893915924566 at Vector3<0.0, 0.0, 0.0> -Band 6 range: 0.8826671164993861 at Vector3<0.3, 0.3, 0.0> to 1.0014926328155065 at Vector3<0.5, 0.0, 0.0> -Band 7 range: 0.8832199143682108 at Vector3<0.5, 0.5, 0.0> to 1.0580309832489805 at Vector3<0.5, 0.0, 0.0> -Band 8 range: 1.0660233597945301 at Vector3<0.19999999999999996, 0.19999999999999996, 0.0> to 1.0873458295555551 at Vector3<0.5, 0.5, 0.0> -Gap from band 2 (0.5781812856814895) to band 3 (0.5781815082009809), 3.848610359408257e-05% -Gap from band 4 (0.8051999839699233) to band 5 (0.8170847453549128), 1.4651880980147938% -Gap from band 7 (1.0580309832489805) to band 8 (1.0660233597945301), 0.7525585747582643% -total elapsed time for run: 6.570596933364868 +F.elapsed time for k point: 0.47900915145874023 +Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4970977843772991 at Vector3<0.5, 0.5, 0.0> +Band 2 range: 0.4402896410505956 at Vector3<0.5, 0.0, 0.0> to 0.5781812856814895 at Vector3<0.5, 0.5, 0.0> +Band 3 range: 0.5781815082009821 at Vector3<0.5, 0.5, 0.0> to 0.7613327775255613 at Vector3<0.0, 0.0, 0.0> +Band 4 range: 0.6689126424359756 at Vector3<0.5, 0.5, 0.0> to 0.8051999839699232 at Vector3<0.3, 0.3, 0.0> +Band 5 range: 0.8170847453549126 at Vector3<0.3, 0.3, 0.0> to 0.8940893915924566 at Vector3<0.0, 0.0, 0.0> +Band 6 range: 0.8826671164993848 at Vector3<0.3, 0.3, 0.0> to 1.0014926328155047 at Vector3<0.5, 0.0, 0.0> +Band 7 range: 0.8832199143682123 at Vector3<0.5, 0.5, 0.0> to 1.0580309832489811 at Vector3<0.5, 0.0, 0.0> +Band 8 range: 1.0660233597945294 at Vector3<0.19999999999999996, 0.19999999999999996, 0.0> to 1.0873458295555545 at Vector3<0.5, 0.5, 0.0> +Gap from band 2 (0.5781812856814895) to band 3 (0.5781815082009821), 3.848610380530436e-05% +Gap from band 4 (0.8051999839699232) to band 5 (0.8170847453549126), 1.4651880980147804% +Gap from band 7 (1.0580309832489811) to band 8 (1.0660233597945294), 0.7525585747581388% +total elapsed time for run: 8.509795665740967 done -/tmp/meepNmMUdV/test_epsilon_input_file-0: 6.57s +/tmp/meep1SOGmO/test_epsilon_input_file-0: 8.51s -/tmp/meepNmMUdV/test_first_brillouin_zone-0 +/tmp/meep1SOGmO/test_first_brillouin_zone-0 ======================== -/tmp/meepNmMUdV/test_first_brillouin_zone-0: 0.27s +/tmp/meep1SOGmO/test_first_brillouin_zone-0: 4.04s -/tmp/meepNmMUdV/test_fractional_lattice-0 +/tmp/meep1SOGmO/test_fractional_lattice-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -15117,7 +15141,7 @@ 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: 0.0005347728729248047 +elapsed time for initialization: 0.000492095947265625 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... @@ -15126,147 +15150,152 @@ linmin: converged after 7 iterations. iteration 2: trace = 83.85049109174184 (11.9223% change) linmin: converged after 5 iterations. - switching to approximate line minimization (decrease time by 51.5625%) + switching to approximate line minimization (decrease time by 56.5517%) iteration 3: trace = 83.34611109428172 (0.603338% change) iteration 4: trace = 83.33359978597156 (0.0150124% change) iteration 5: trace = 83.33333949085095 (0.000312354% change) + switching back to exact line minimization iteration 6: trace = 83.33333352466074 (7.15943e-06% change) - iteration 7: trace = 83.3333333365708 (2.25708e-07% change) - iteration 8: trace = 83.33333333338271 (3.82571e-09% change) - iteration 9: trace = 83.33333333333447 (5.7895e-11% change) + linmin: converged after 2 iterations. + iteration 7: trace = 83.3333333365707 (2.25708e-07% change) + linmin: converged after 2 iterations. + iteration 8: trace = 83.33333333338271 (3.82559e-09% change) + linmin: converged after 2 iterations. + iteration 9: trace = 83.33333333333449 (5.78609e-11% change) Finished solving for bands 2 to 8 after 9 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 2.88675, 2.88675, 2.88675, 2.88675, 4.08248, 4.08248, 4.08248 -elapsed time for k point: 0.0037114620208740234 +elapsed time for k point: 0.029553890228271484 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... - linmin: converged after 10 iterations. - iteration 1: trace = 82.33333333334653 (0.722248% change) + linmin: converged after 6 iterations. + iteration 1: trace = 82.33333333334652 (0.722248% change) linmin: converged after 2 iterations. - iteration 2: trace = 82.33333333333383 (1.54306e-11% change) + iteration 2: trace = 82.33333333333381 (1.54306e-11% change) Finished solving for bands 1 to 8 after 2 iterations. tefreqs:, 2, 0.1, 0, 0, 1, 0.288675, 2.59808, 2.90115, 2.90115, 3.17543, 3.88373, 3.88373, 4.29146 -elapsed time for k point: 0.002231597900390625 +elapsed time for k point: 0.019609689712524414 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. - iteration 1: trace = 82.6666666666667 (6.01669e-13% change) + iteration 1: trace = 82.66666666666671 (5.84479e-13% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 3, 0.2, 0, 0, 2, 0.57735, 2.3094, 2.94392, 2.94392, 3.4641, 3.69685, 3.69685, 4.50925 -elapsed time for k point: 0.0004146099090576172 +elapsed time for k point: 0.0004336833953857422 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 84.33333333333334 (5.05524e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 4, 0.3, 0, 0, 3, 0.866025, 2.02073, 3.01386, 3.01386, 3.52373, 3.52373, 3.75278, 4.73462 -elapsed time for k point: 0.0004317760467529297 +elapsed time for k point: 0.00038933753967285156 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. - iteration 1: trace = 87.33333333333334 (0% change) + iteration 1: trace = 87.33333333333331 (4.88159e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 5, 0.4, 0, 0, 4, 1.1547, 1.73205, 3.10913, 3.10913, 3.3665, 3.3665, 4.04145, 4.96655 -elapsed time for k point: 0.00046515464782714844 +elapsed time for k point: 0.0003960132598876953 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... - linmin: converged after 47 iterations. - iteration 1: trace = 91.66666666666666 (0% change) + linmin: converged after 1 iterations. + iteration 1: trace = 91.66666666666669 (1.55028e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 6, 0.5, 0, 0, 5, 1.44338, 1.44338, 3.22749, 3.22749, 3.22749, 3.22749, 4.33013, 5.20416 -elapsed time for k point: 0.0010585784912109375 +elapsed time for k point: 0.0003914833068847656 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 63.1579%) - iteration 1: trace = 90.66666666672697 (3.571% change) - iteration 2: trace = 90.6666672264862 (6.17382e-07% change) - iteration 3: trace = 90.66666666666707 (6.17448e-07% change) - iteration 4: trace = 90.66666666666671 (3.91843e-13% change) + switching to approximate line minimization (decrease time by 64.486%) + iteration 1: trace = 90.66666666668117 (3.571% change) + switching back to exact line minimization + iteration 2: trace = 90.66666682539551 (1.75053e-07% change) + linmin: converged after 2 iterations. + iteration 3: trace = 90.66666666666673 (1.75069e-07% change) + linmin: converged after 1 iterations. + iteration 4: trace = 90.66666666666666 (7.83687e-14% change) Finished solving for bands 1 to 8 after 4 iterations. tefreqs:, 7, 0.5, 0.1, 0, 5.09902, 1.47196, 1.47196, 2.97209, 2.97209, 3.48807, 3.48807, 4.33974, 5.04975 -elapsed time for k point: 0.0008034706115722656 +elapsed time for k point: 0.018173933029174805 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. - iteration 1: trace = 91 (9.36979e-14% change) + iteration 1: trace = 91.00000000000001 (3.12326e-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: 0.0004470348358154297 +elapsed time for k point: 0.0004298686981201172 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. - switching to approximate line minimization (decrease time by 57.3171%) - iteration 1: trace = 92.66666666666669 (1.53355e-14% change) + switching to approximate line minimization (decrease time by 58.6592%) + iteration 1: trace = 92.66666666666667 (0% 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: 0.0004761219024658203 +elapsed time for k point: 0.0004673004150390625 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... - linmin: converged after 6 iterations. - switching to approximate line minimization (decrease time by 56.6265%) - iteration 1: trace = 95.66666666666669 (2.97091e-14% change) + linmin: converged after 49 iterations. + iteration 1: trace = 95.66666666666667 (0% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 10, 0.5, 0.4, 0, 6.40312, 1.84842, 1.84842, 2.25462, 2.25462, 4.29146, 4.29146, 4.48144, 4.66369 -elapsed time for k point: 0.0004603862762451172 +elapsed time for k point: 0.0010488033294677734 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... - linmin: converged after 45 iterations. - iteration 1: trace = 99.99999999999999 (2.84217e-14% change) + linmin: converged after 6 iterations. + switching to approximate line minimization (decrease time by 50.8651%) + iteration 1: trace = 99.99999999999999 (4.26326e-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: 0.0008881092071533203 +elapsed time for k point: 0.017583131790161133 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... - linmin: converged after 1 iterations. - iteration 1: trace = 91.33333333333334 (1.55593e-14% change) + linmin: converged after 67 iterations. + iteration 1: trace = 91.33333333333334 (0% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 12, 0.4, 0.4, 0, 5.65685, 1.63299, 2.08167, 2.08167, 2.44949, 4.20317, 4.20317, 4.39697, 4.39697 -elapsed time for k point: 0.00039768218994140625 +elapsed time for k point: 0.0012366771697998047 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... - linmin: converged after 5 iterations. - switching to approximate line minimization (decrease time by 53.3333%) - iteration 1: trace = 85.33333333333334 (0% change) + linmin: converged after 1 iterations. + iteration 1: trace = 85.33333333333334 (1.66533e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 13, 0.3, 0.3, 0, 4.24264, 1.22474, 2.19848, 2.19848, 2.85774, 3.85141, 3.85141, 4.26224, 4.26224 -elapsed time for k point: 0.00044846534729003906 +elapsed time for k point: 0.00038814544677734375 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. - switching to approximate line minimization (decrease time by 52.5641%) - iteration 1: trace = 82 (0% change) + switching to approximate line minimization (decrease time by 55.1515%) + iteration 1: trace = 81.99999999999999 (0% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 14, 0.2, 0.2, 0, 2.82843, 0.816497, 2.38048, 2.38048, 3.26599, 3.51188, 3.51188, 4.16333, 4.16333 -elapsed time for k point: 0.00044798851013183594 +elapsed time for k point: 0.00044655799865722656 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... - linmin: converged after 5 iterations. - switching to approximate line minimization (decrease time by 53.3784%) - iteration 1: trace = 81.33333333333333 (1.74724e-14% change) + linmin: converged after 41 iterations. + iteration 1: trace = 81.33333333333334 (1.74724e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 15, 0.1, 0.1, 0, 1.41421, 0.408248, 2.61406, 2.61406, 3.18852, 3.18852, 3.67423, 4.10284, 4.10284 -elapsed time for k point: 0.0004642009735107422 +elapsed time for k point: 0.01811385154724121 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 1 iterations. - iteration 1: trace = 83.33333333333331 (0% change) + iteration 1: trace = 83.33333333333334 (1.7053e-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: 0.0003688335418701172 +.elapsed time for k point: 0.00037980079650878906 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 2.0412414523193143 at Vector3<0.5, 0.5, 0.0> -Band 2 range: 1.4433756729740648 at Vector3<0.5, 0.0, 0.0> to 2.8867513459481358 at Vector3<0.0, 0.0, 0.0> -Band 3 range: 2.0412414523193156 at Vector3<0.5, 0.5, 0.0> to 3.2274861218395086 at Vector3<0.5, 0.0, 0.0> -Band 4 range: 2.0412414523193165 at Vector3<0.5, 0.5, 0.0> to 3.2659863237109032 at Vector3<0.19999999999999996, 0.19999999999999996, 0.0> -Band 5 range: 2.886751345948131 at Vector3<0.0, 0.0, 0.0> to 4.564354645876384 at Vector3<0.5, 0.5, 0.0> -Band 6 range: 3.2274861218395143 at Vector3<0.5, 0.0, 0.0> to 4.564354645876385 at Vector3<0.5, 0.5, 0.0> -Band 7 range: 3.6968455021364717 at Vector3<0.2, 0.0, 0.0> to 4.564354645876387 at Vector3<0.5, 0.5, 0.0> -Band 8 range: 4.082482904638633 at Vector3<0.0, 0.0, 0.0> to 5.204164998665332 at Vector3<0.5, 0.0, 0.0> -total elapsed time for run: 0.014706850051879883 +Band 2 range: 1.443375672974065 at Vector3<0.5, 0.0, 0.0> to 2.88675134594814 at Vector3<0.0, 0.0, 0.0> +Band 3 range: 2.0412414523193156 at Vector3<0.5, 0.5, 0.0> to 3.2274861218395126 at Vector3<0.5, 0.0, 0.0> +Band 4 range: 2.041241452319316 at Vector3<0.5, 0.5, 0.0> to 3.265986323710906 at Vector3<0.19999999999999996, 0.19999999999999996, 0.0> +Band 5 range: 2.8867513459481295 at Vector3<0.0, 0.0, 0.0> to 4.56435464587638 at Vector3<0.5, 0.5, 0.0> +Band 6 range: 3.227486121839518 at Vector3<0.5, 0.0, 0.0> to 4.564354645876382 at Vector3<0.5, 0.5, 0.0> +Band 7 range: 3.696845502136474 at Vector3<0.2, 0.0, 0.0> to 4.564354645876383 at Vector3<0.5, 0.5, 0.0> +Band 8 range: 4.08248290463863 at Vector3<0.0, 0.0, 0.0> to 5.204164998665333 at Vector3<0.5, 0.0, 0.0> +total elapsed time for run: 0.11083245277404785 done -/tmp/meepNmMUdV/test_fractional_lattice-0: 0.02s +/tmp/meep1SOGmO/test_fractional_lattice-0: 0.11s -/tmp/meepNmMUdV/test_get_bfield-0 +/tmp/meep1SOGmO/test_get_bfield-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -15309,7 +15338,7 @@ 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: 0.004224300384521484 +elapsed time for initialization: 0.02699136734008789 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... @@ -15420,7 +15449,7 @@ iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.5689151287078857 +elapsed time for k point: 1.1781725883483887 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -15671,7 +15700,7 @@ iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.9635658264160156 +elapsed time for k point: 2.296400308609009 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -15728,7 +15757,7 @@ iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.22109508514404297 +elapsed time for k point: 0.3924682140350342 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -15781,7 +15810,7 @@ iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.20277023315429688 +elapsed time for k point: 0.29604411125183105 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -15842,7 +15871,7 @@ iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.2764003276824951 +elapsed time for k point: 0.40192556381225586 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -15935,7 +15964,7 @@ iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.5795197486877441 +elapsed time for k point: 0.4595038890838623 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -16006,7 +16035,7 @@ iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.4493591785430908 +elapsed time for k point: 0.25604844093322754 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -16067,7 +16096,7 @@ iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.3478848934173584 +elapsed time for k point: 1.5977611541748047 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -16120,7 +16149,7 @@ iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.371016263961792 +elapsed time for k point: 2.7310025691986084 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -16172,7 +16201,7 @@ iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.26372790336608887 +elapsed time for k point: 0.13802337646484375 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -16224,7 +16253,7 @@ iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.3127763271331787 +elapsed time for k point: 0.1922917366027832 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -16265,7 +16294,7 @@ iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.2616429328918457 +elapsed time for k point: 0.32627320289611816 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -16312,7 +16341,7 @@ iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.41446805000305176 +elapsed time for k point: 0.6028914451599121 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -16375,7 +16404,7 @@ iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.38782644271850586 +elapsed time for k point: 0.7469058036804199 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -16448,7 +16477,7 @@ iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 1.5806512832641602 +elapsed time for k point: 0.7757866382598877 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -16643,7 +16672,7 @@ iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 1.1549367904663086 +elapsed time for k point: 1.696091651916504 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> @@ -16655,12 +16684,12 @@ Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% -total elapsed time for run: 8.363454103469849 +total elapsed time for run: 14.124915599822998 done Fixing b-field (band 8) phase by -1 + 2.61271e-07i; max ampl. = 4.48388 -./tmp/meepNmMUdV/test_get_bfield-0: 8.38s +./tmp/meep1SOGmO/test_get_bfield-0: 14.15s -/tmp/meepNmMUdV/test_get_dfield-0 +/tmp/meep1SOGmO/test_get_dfield-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -16703,7 +16732,7 @@ 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: 0.008085012435913086 +elapsed time for initialization: 0.0026929378509521484 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... @@ -16814,7 +16843,7 @@ iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.528010368347168 +elapsed time for k point: 3.8844473361968994 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -17065,7 +17094,7 @@ iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 3.2392547130584717 +elapsed time for k point: 2.8227906227111816 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17122,7 +17151,7 @@ iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.5571389198303223 +elapsed time for k point: 0.5576770305633545 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17175,7 +17204,7 @@ iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.5193710327148438 +elapsed time for k point: 0.5071289539337158 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17236,7 +17265,7 @@ iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.494488000869751 +elapsed time for k point: 0.5868093967437744 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17329,7 +17358,7 @@ iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.4202120304107666 +elapsed time for k point: 0.9374094009399414 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -17400,7 +17429,7 @@ iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.8712046146392822 +elapsed time for k point: 3.5185530185699463 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17461,7 +17490,7 @@ iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.4597148895263672 +elapsed time for k point: 0.5937011241912842 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17514,7 +17543,7 @@ iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.455768346786499 +elapsed time for k point: 0.5297226905822754 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17566,7 +17595,7 @@ iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.2422170639038086 +elapsed time for k point: 0.4937098026275635 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17618,7 +17647,7 @@ iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.2571244239807129 +elapsed time for k point: 0.474102258682251 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17659,7 +17688,7 @@ iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.1848156452178955 +elapsed time for k point: 0.41536951065063477 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17706,7 +17735,7 @@ iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.2233114242553711 +elapsed time for k point: 0.4812965393066406 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17769,7 +17798,7 @@ iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.4699361324310303 +elapsed time for k point: 0.39282846450805664 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17842,7 +17871,7 @@ iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.5648434162139893 +elapsed time for k point: 0.21504592895507812 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -18037,7 +18066,7 @@ iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 1.3662075996398926 +elapsed time for k point: 5.9589622020721436 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> @@ -18049,12 +18078,12 @@ Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% -total elapsed time for run: 10.873185157775879 +total elapsed time for run: 22.382647037506104 done Fixing d-field (band 8) phase by 2.61271e-07 + 1i; max ampl. = 8.66842 -./tmp/meepNmMUdV/test_get_dfield-0: 10.88s +./tmp/meep1SOGmO/test_get_dfield-0: 22.39s -/tmp/meepNmMUdV/test_get_efield-0 +/tmp/meep1SOGmO/test_get_efield-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -18097,7 +18126,7 @@ 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: 0.007525205612182617 +elapsed time for initialization: 0.010897397994995117 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... @@ -18208,7 +18237,7 @@ iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.47675609588623047 +elapsed time for k point: 0.5270712375640869 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -18459,7 +18488,7 @@ iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 1.4913620948791504 +elapsed time for k point: 2.4311482906341553 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -18516,7 +18545,7 @@ iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.21770668029785156 +elapsed time for k point: 0.4453253746032715 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -18569,7 +18598,7 @@ iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.20934176445007324 +elapsed time for k point: 0.45472240447998047 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -18630,7 +18659,7 @@ iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.4198341369628906 +elapsed time for k point: 4.195981740951538 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -18723,7 +18752,7 @@ iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.47088003158569336 +elapsed time for k point: 1.0309457778930664 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -18794,7 +18823,7 @@ iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.3992009162902832 +elapsed time for k point: 0.6637563705444336 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -18855,7 +18884,7 @@ iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.3248274326324463 +elapsed time for k point: 0.5008769035339355 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -18908,7 +18937,7 @@ iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.24492502212524414 +elapsed time for k point: 0.43987035751342773 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -18960,7 +18989,7 @@ iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.2281038761138916 +elapsed time for k point: 0.46790051460266113 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -19012,7 +19041,7 @@ iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.3252267837524414 +elapsed time for k point: 0.35394930839538574 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -19053,7 +19082,7 @@ iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.17983365058898926 +elapsed time for k point: 0.2857017517089844 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -19100,7 +19129,7 @@ iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.32901477813720703 +elapsed time for k point: 0.3029177188873291 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -19163,7 +19192,7 @@ iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.2845573425292969 +elapsed time for k point: 0.41187000274658203 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -19236,7 +19265,7 @@ iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.31264638900756836 +elapsed time for k point: 4.497661113739014 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -19431,7 +19460,7 @@ iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 1.021721363067627 +elapsed time for k point: 1.6302459239959717 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> @@ -19443,12 +19472,12 @@ Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% -total elapsed time for run: 6.9458091259002686 +total elapsed time for run: 18.657204151153564 done Fixing e-field (band 8) phase by 2.61271e-07 + 1i; max ampl. = 1.10099 -./tmp/meepNmMUdV/test_get_efield-0: 6.95s +./tmp/meep1SOGmO/test_get_efield-0: 18.69s -/tmp/meepNmMUdV/test_get_eigenvectors-0 +/tmp/meep1SOGmO/test_get_eigenvectors-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -19491,7 +19520,7 @@ 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: 0.003810405731201172 +elapsed time for initialization: 0.014804601669311523 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... @@ -19602,7 +19631,7 @@ iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.4462254047393799 +elapsed time for k point: 0.7798211574554443 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 @@ -19861,7 +19890,7 @@ iteration 121: trace = 5.540497242579407 (3.78003e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 1.1389126777648926 +elapsed time for k point: 2.2180352210998535 Fixing h-field (band 1) phase by -1 + 2.61427e-07i; max ampl. = 1.02721 Fixing h-field (band 2) phase by -0.999999 + 0.00113019i; max ampl. = 5.09036 Fixing h-field (band 3) phase by 0.000419897 + -1i; max ampl. = 3.73536 @@ -19926,7 +19955,7 @@ iteration 26: trace = 5.499374946276069 (6.7703e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.23291254043579102 +elapsed time for k point: 0.5235733985900879 Fixing h-field (band 1) phase by 1 + -4.12194e-12i; max ampl. = 1.11365 Fixing h-field (band 2) phase by -1 + 5.21223e-09i; max ampl. = 4.92243 Fixing h-field (band 3) phase by -1.10235e-09 + 1i; max ampl. = 2.65638 @@ -19987,7 +20016,7 @@ iteration 24: trace = 5.485459080087862 (6.15439e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.7720153331756592 +elapsed time for k point: 0.1361985206604004 Fixing h-field (band 1) phase by 1 + 7.1591e-16i; max ampl. = 1.27437 Fixing h-field (band 2) phase by -1 + -7.98183e-14i; max ampl. = 4.45322 Fixing h-field (band 3) phase by 1 + 2.69267e-13i; max ampl. = 2.62315 @@ -20056,7 +20085,7 @@ iteration 28: trace = 5.504362091981044 (5.80731e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.27123570442199707 +elapsed time for k point: 0.32640957832336426 Fixing h-field (band 1) phase by 1 + 2.84818e-17i; max ampl. = 1.5052 Fixing h-field (band 2) phase by -1 + -6.0752e-14i; max ampl. = 3.59052 Fixing h-field (band 3) phase by -1 + 4.06662e-15i; max ampl. = 3.69829 @@ -20157,7 +20186,7 @@ iteration 44: trace = 5.53886686855396 (9.67896e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.42635154724121094 +elapsed time for k point: 0.841665506362915 Fixing h-field (band 1) phase by 1 + 2.84834e-16i; max ampl. = 1.38878 Fixing h-field (band 2) phase by 1 + 4.42688e-16i; max ampl. = 3.48407 Fixing h-field (band 3) phase by 1 + -8.91348e-15i; max ampl. = 4.1103 @@ -20236,7 +20265,7 @@ iteration 33: trace = 5.419797732958385 (9.1181e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.33139657974243164 +elapsed time for k point: 0.46112704277038574 Fixing h-field (band 1) phase by 1 + -2.11651e-16i; max ampl. = 1.39153 Fixing h-field (band 2) phase by -1 + 9.73269e-13i; max ampl. = 3.54504 Fixing h-field (band 3) phase by 1 + -1.10938e-14i; max ampl. = 3.95334 @@ -20305,7 +20334,7 @@ iteration 28: trace = 5.240853948733919 (3.68432e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.25344038009643555 +elapsed time for k point: 0.3865478038787842 Fixing h-field (band 1) phase by 1 + -1.44601e-15i; max ampl. = 1.40192 Fixing h-field (band 2) phase by -1 + -1.47743e-12i; max ampl. = 3.73151 Fixing h-field (band 3) phase by 1 + -6.29985e-13i; max ampl. = 3.50756 @@ -20366,7 +20395,7 @@ iteration 24: trace = 5.096544273410624 (7.60169e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.3214418888092041 +elapsed time for k point: 0.43436384201049805 Fixing h-field (band 1) phase by 1 + 9.38664e-13i; max ampl. = 4.05119 Fixing h-field (band 2) phase by 1 + 1.41968e-15i; max ampl. = 1.42991 Fixing h-field (band 3) phase by 1 + -1.85784e-12i; max ampl. = 2.78416 @@ -20426,7 +20455,7 @@ iteration 23: trace = 5.00643649634139 (6.07265e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.3490474224090576 +elapsed time for k point: 0.36694860458374023 Fixing h-field (band 1) phase by 1 + 2.68134e-16i; max ampl. = 4.46619 Fixing h-field (band 2) phase by 1 + -6.0366e-12i; max ampl. = 1.51506 Fixing h-field (band 3) phase by 1 + -3.86248e-15i; max ampl. = 1.66014 @@ -20486,7 +20515,7 @@ iteration 23: trace = 4.975984265381783 (5.45296e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.18965816497802734 +elapsed time for k point: 0.3393888473510742 Fixing h-field (band 1) phase by 1 + 4.59531e-16i; max ampl. = 4.70977 Fixing h-field (band 2) phase by 1 + 3.56321e-14i; max ampl. = 1.38038 Fixing h-field (band 3) phase by -3.00373e-14 + 1i; max ampl. = 1.85505 @@ -20535,7 +20564,7 @@ iteration 18: trace = 5.036378479895268 (5.46164e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.1656508445739746 +elapsed time for k point: 0.26860475540161133 Fixing h-field (band 1) phase by 1 + -1.62776e-16i; max ampl. = 3.59873 Fixing h-field (band 2) phase by 1 + -1.61911e-16i; max ampl. = 3.10702 Fixing h-field (band 3) phase by -7.36723e-10 + -1i; max ampl. = 1.92561 @@ -20590,7 +20619,7 @@ iteration 21: trace = 5.206566305891691 (3.91841e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.21529221534729004 +elapsed time for k point: 0.33516693115234375 Fixing h-field (band 1) phase by 1 + 7.58827e-17i; max ampl. = 1.81199 Fixing h-field (band 2) phase by -1 + -3.10572e-16i; max ampl. = 4.51433 Fixing h-field (band 3) phase by -1.25666e-09 + 1i; max ampl. = 2.16532 @@ -20661,7 +20690,7 @@ iteration 29: trace = 5.417088766409227 (6.15173e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.8593013286590576 +elapsed time for k point: 0.40081357955932617 Fixing h-field (band 1) phase by 1 + -1.02199e-16i; max ampl. = 1.2604 Fixing h-field (band 2) phase by -1 + -5.27148e-17i; max ampl. = 4.86397 Fixing h-field (band 3) phase by -6.75994e-10 + 1i; max ampl. = 2.6696 @@ -20742,7 +20771,7 @@ iteration 34: trace = 5.522267645664733 (5.18213e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.4000113010406494 +elapsed time for k point: 0.37193727493286133 Fixing h-field (band 1) phase by 1 + 2.70996e-16i; max ampl. = 1.05606 Fixing h-field (band 2) phase by -1 + 1.12018e-15i; max ampl. = 5.06002 Fixing h-field (band 3) phase by -5.14782e-10 + 1i; max ampl. = 3.59476 @@ -20945,7 +20974,7 @@ iteration 93: trace = 5.548117725324992 (3.7124e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.6170637607574463 +elapsed time for k point: 0.46447324752807617 Fixing h-field (band 1) phase by 1 + -0i; max ampl. = 1 Fixing h-field (band 2) phase by 1 + 1.5467e-14i; max ampl. = 5.12967 Fixing h-field (band 3) phase by 8.70998e-12 + 1i; max ampl. = 4.27896 @@ -20965,11 +20994,11 @@ Gap from band 2 (0.593140514116089) to band 3 (0.5931535863117835), 0.002203870977651936% Gap from band 4 (0.8096891551677103) to band 5 (0.8241814443502159), 1.7739824912427593% Gap from band 7 (1.0860729323594152) to band 8 (1.0878689635052694), 0.16523267243441003% -total elapsed time for run: 7.03402853012085 +total elapsed time for run: 12.186615705490112 done -/tmp/meepNmMUdV/test_get_eigenvectors-0: 7.05s +/tmp/meep1SOGmO/test_get_eigenvectors-0: 15.82s -/tmp/meepNmMUdV/test_get_hfield-0 +/tmp/meep1SOGmO/test_get_hfield-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -21012,7 +21041,7 @@ 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: 0.07460665702819824 +elapsed time for initialization: 0.0026841163635253906 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... @@ -21123,7 +21152,7 @@ iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.308361291885376 +elapsed time for k point: 1.1090338230133057 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -21374,7 +21403,7 @@ iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.9988245964050293 +elapsed time for k point: 2.5272297859191895 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21431,7 +21460,7 @@ iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.22420430183410645 +elapsed time for k point: 0.7055671215057373 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21484,7 +21513,7 @@ iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.2021634578704834 +elapsed time for k point: 0.5433566570281982 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21545,7 +21574,7 @@ iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.22439146041870117 +elapsed time for k point: 1.0670514106750488 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21638,7 +21667,7 @@ iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.45590877532958984 +elapsed time for k point: 1.1211178302764893 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -21709,7 +21738,7 @@ iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.2704455852508545 +elapsed time for k point: 0.7460954189300537 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21770,7 +21799,7 @@ iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.23395991325378418 +elapsed time for k point: 0.7016522884368896 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21823,7 +21852,7 @@ iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.20765089988708496 +elapsed time for k point: 0.626004695892334 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21875,7 +21904,7 @@ iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.23996567726135254 +elapsed time for k point: 0.5798776149749756 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21927,7 +21956,7 @@ iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.23604178428649902 +elapsed time for k point: 0.5780477523803711 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21968,7 +21997,7 @@ iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.14111876487731934 +elapsed time for k point: 0.46370601654052734 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -22015,7 +22044,7 @@ iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.6441795825958252 +elapsed time for k point: 4.046718120574951 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -22078,7 +22107,7 @@ iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.23695921897888184 +elapsed time for k point: 0.8732385635375977 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -22151,7 +22180,7 @@ iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.4023928642272949 +elapsed time for k point: 0.982712984085083 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -22346,7 +22375,7 @@ iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.8547177314758301 +elapsed time for k point: 1.877849817276001 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> @@ -22358,12 +22387,12 @@ Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% -total elapsed time for run: 5.958115100860596 +total elapsed time for run: 21.398529291152954 done Fixing h-field (band 8) phase by -1 + 2.61271e-07i; max ampl. = 4.48388 -./tmp/meepNmMUdV/test_get_hfield-0: 5.96s +./tmp/meep1SOGmO/test_get_hfield-0: 21.45s -/tmp/meepNmMUdV/test_handle_cvector-0 +/tmp/meep1SOGmO/test_handle_cvector-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -22406,7 +22435,7 @@ 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: 0.004934072494506836 +elapsed time for initialization: 0.01524496078491211 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... @@ -22461,7 +22490,7 @@ iteration 24: trace = 4.5778946265728 (4.37309e-11% change) Finished solving for bands 2 to 8 after 24 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832 -elapsed time for k point: 0.2920510768890381 +elapsed time for k point: 0.532935619354248 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -22502,7 +22531,7 @@ iteration 18: trace = 4.546667003404458 (4.24294e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tmfreqs:, 2, 0, 0.1, 0, 0.11547, 0.0711319, 0.538981, 0.559429, 0.617095, 0.834123, 0.839462, 0.988272, 1.08637 -elapsed time for k point: 0.16301512718200684 +elapsed time for k point: 0.44975709915161133 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22537,7 +22566,7 @@ iteration 15: trace = 4.456771796562707 (4.08938e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 3, 0, 0.2, 0, 0.23094, 0.138898, 0.508574, 0.556587, 0.65398, 0.825087, 0.84452, 0.968999, 1.05281 -elapsed time for k point: 0.13582849502563477 +elapsed time for k point: 4.482617378234863 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22570,7 +22599,7 @@ iteration 14: trace = 4.364565233298256 (3.14607e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 4, 0, 0.3, 0, 0.34641, 0.198939, 0.479631, 0.553145, 0.693119, 0.813353, 0.850964, 0.932869, 1.02598 -elapsed time for k point: 0.1272718906402588 +elapsed time for k point: 0.08197212219238281 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22601,7 +22630,7 @@ iteration 13: trace = 4.304069964437605 (7.18332e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0, 0.4, 0, 0.46188, 0.244064, 0.4557, 0.550414, 0.730028, 0.80289, 0.856372, 0.891379, 1.01409 -elapsed time for k point: 0.2588372230529785 +elapsed time for k point: 0.07616162300109863 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22632,7 +22661,7 @@ iteration 13: trace = 4.283477065616429 (4.147e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 6, 0, 0.5, 0, 0.57735, 0.262015, 0.445331, 0.549383, 0.749186, 0.797864, 0.85849, 0.870609, 1.01087 -elapsed time for k point: 0.0992431640625 +elapsed time for k point: 0.24342560768127441 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22661,7 +22690,7 @@ iteration 12: trace = 4.264474631199774 (8.72667e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.262984, 0.4475, 0.545804, 0.752448, 0.797093, 0.860461, 0.870245, 0.99895 -elapsed time for k point: 0.3002924919128418 +elapsed time for k point: 0.30364441871643066 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22690,7 +22719,7 @@ iteration 12: trace = 4.228595652264468 (8.17059e-12% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.265671, 0.453801, 0.535912, 0.761319, 0.795166, 0.866056, 0.869135, 0.973413 -elapsed time for k point: 0.11918020248413086 +elapsed time for k point: 0.3041505813598633 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22715,7 +22744,7 @@ iteration 10: trace = 4.19657782122971 (9.13665e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.269404, 0.463648, 0.52172, 0.773443, 0.792931, 0.867201, 0.874681, 0.94487 -elapsed time for k point: 0.10193514823913574 +elapsed time for k point: 0.25476551055908203 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22740,7 +22769,7 @@ iteration 10: trace = 4.17565176133351 (5.30059e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.273, 0.476141, 0.505606, 0.78524, 0.791235, 0.864672, 0.885801, 0.918597 -elapsed time for k point: 0.22748351097106934 +elapsed time for k point: 0.29558348655700684 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -22763,7 +22792,7 @@ iteration 9: trace = 4.168411689609144 (8.90221e-11% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.27469, 0.489984, 0.490239, 0.79072, 0.790832, 0.863041, 0.899109, 0.89925 -elapsed time for k point: 0.07581520080566406 +elapsed time for k point: 0.2449634075164795 Fixing e-field (band 1) phase by -1 + 4.11947e-08i; max ampl. = 0.93911 Fixing e-field (band 2) phase by -4.11947e-08 + -1i; max ampl. = 1.08316 Fixing e-field (band 3) phase by 1 + -4.11947e-08i; max ampl. = 0.877953 @@ -22798,7 +22827,7 @@ iteration 11: trace = 4.197854050309301 (1.33506e-11% change) Finished solving for bands 1 to 8 after 11 iterations. tmfreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.2632, 0.47091, 0.51804, 0.764413, 0.795091, 0.864427, 0.896871, 0.932925 -elapsed time for k point: 0.08998894691467285 +elapsed time for k point: 0.33161115646362305 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22827,7 +22856,7 @@ iteration 12: trace = 4.283266488990682 (1.1156e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 13, -0.2, 0.2, 0, 0.4, 0.222593, 0.476537, 0.539917, 0.715636, 0.806516, 0.856013, 0.929969, 0.977199 -elapsed time for k point: 0.26351118087768555 +elapsed time for k point: 0.35320401191711426 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -22858,7 +22887,7 @@ iteration 13: trace = 4.410102274545235 (2.52551e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.15856, 0.501245, 0.552927, 0.666818, 0.82116, 0.846938, 0.963589, 1.03113 -elapsed time for k point: 0.10296440124511719 +elapsed time for k point: 0.3491332530975342 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22897,7 +22926,7 @@ iteration 17: trace = 4.534517622757205 (7.84657e-11% change) Finished solving for bands 1 to 8 after 17 iterations. tmfreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0819275, 0.534465, 0.558896, 0.622523, 0.832982, 0.840137, 0.98638, 1.08149 -elapsed time for k point: 0.1448068618774414 +elapsed time for k point: 0.49689197540283203 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. @@ -22934,7 +22963,7 @@ iteration 16: trace = 4.577894626572485 (2.54547e-11% change) Finished solving for bands 2 to 8 after 16 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832 -elapsed time for k point: 0.09458589553833008 +elapsed time for k point: 0.2977726459503174 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2746902258623629 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.4453310808471575 at Vector3<0.0, 0.5, 0.0> to 0.5605181423162836 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.4902389149027673 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.5605607947797744 at Vector3<0.0, 0.0, 0.0> @@ -22948,7 +22977,7 @@ Gap from band 4 (0.7907195974443696) to band 5 (0.7908320763327565), 0.01422386511321756% Gap from band 5 (0.8374511167537543) to band 6 (0.8375948528443258), 0.01716204727276697% Gap from band 6 (0.8672009264903452) to band 7 (0.8691349955739195), 0.2227759109279908% -total elapsed time for run: 2.6082816123962402 +total elapsed time for run: 9.132578372955322 done Read lattice vectors Read Bloch wavevector (-0.333333, 0.333333, 0) @@ -22966,9 +22995,9 @@ imag part range: 0 .. 0 real part range: -1.03932 .. 1.03493 imag part range: -1.08496 .. 1.08496 -./tmp/meepNmMUdV/test_handle_cvector-0: 2.67s +./tmp/meep1SOGmO/test_handle_cvector-0: 9.36s -/tmp/meepNmMUdV/test_hermitian_eps-0 +/tmp/meep1SOGmO/test_hermitian_eps-0 ======================== Initializing eigensolver data Computing 10 bands with 1e-12 tolerance @@ -23006,7 +23035,7 @@ 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: 0.004812479019165039 +elapsed time for initialization: 0.01144552230834961 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... @@ -24371,22101 +24400,18262 @@ linmin: converged after 3 iterations. iteration 608: trace = 2.401532463592184 (0.00330909% change) linmin: converged after 5 iterations. + switching to approximate line minimization (decrease time by 96.4196%) iteration 609: trace = 2.401499119087424 (0.00138848% change) - linmin: converged after 5 iterations. - iteration 610: trace = 2.401447417894419 (0.00215289% change) - linmin: converged after 3 iterations. - iteration 611: trace = 2.401385084557824 (0.00259569% change) - linmin: converged after 4 iterations. - iteration 612: trace = 2.401351484970682 (0.00139919% change) - linmin: converged after 3 iterations. - iteration 613: trace = 2.401304668927772 (0.00194959% change) - linmin: converged after 5 iterations. - iteration 614: trace = 2.401292927071097 (0.000488979% change) - large trace change predicted (0.00117536%) - linmin: converged after 8 iterations. - iteration 615: trace = 2.401264719220454 (0.0011747% change) - linmin: converged after 4 iterations. - iteration 616: trace = 2.401248380437763 (0.000680426% change) - linmin: converged after 3 iterations. - iteration 617: trace = 2.401238787611322 (0.000399494% change) - large trace change predicted (0.00124652%) + iteration 610: trace = 2.401447417901204 (0.00215289% change) + iteration 611: trace = 2.401385111357974 (0.00259457% change) + iteration 612: trace = 2.401351485408653 (0.00140028% change) + iteration 613: trace = 2.401304518041782 (0.00195589% change) + iteration 614: trace = 2.40129282914791 (0.000486774% change) + iteration 615: trace = 2.401264669592611 (0.00117269% change) + iteration 616: trace = 2.401247803543292 (0.000702384% change) + iteration 617: trace = 2.401238651942263 (0.000381119% change) + iteration 618: trace = 2.401208538004743 (0.00125411% change) + iteration 619: trace = 2.401201066203904 (0.000311169% change) + iteration 620: trace = 2.401179501099351 (0.000898101% change) + iteration 621: trace = 2.401166430226259 (0.000544354% change) + iteration 622: trace = 2.401152325501465 (0.000587413% change) + iteration 623: trace = 2.401135135397558 (0.000715913% change) + iteration 624: trace = 2.401126740003285 (0.000349643% change) + iteration 625: trace = 2.401101001799237 (0.00107193% change) + iteration 626: trace = 2.401075357089197 (0.00106805% change) + iteration 627: trace = 2.401046258734718 (0.0012119% change) + iteration 628: trace = 2.400968168370532 (0.0032524% change) + iteration 629: trace = 2.400919109782589 (0.0020433% change) + resetting CG direction... + iteration 630: trace = 2.400881202393326 (0.00157888% change) + iteration 631: trace = 2.400828795636207 (0.00218284% change) + iteration 632: trace = 2.400775045295641 (0.00223885% change) + iteration 633: trace = 2.40075540451689 (0.000818105% change) + iteration 634: trace = 2.400723415527366 (0.00133246% change) + iteration 635: trace = 2.400716706298983 (0.000279467% change) + iteration 636: trace = 2.400694019142989 (0.00094502% change) + iteration 637: trace = 2.400683949602503 (0.000419444% change) + iteration 638: trace = 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change) + iteration 654: trace = 2.400191032363125 (0.000680241% change) + iteration 655: trace = 2.400152842763807 (0.00159112% change) + iteration 656: trace = 2.400145992426155 (0.000285413% change) + iteration 657: trace = 2.400133156113916 (0.000534815% change) + iteration 658: trace = 2.400124085894574 (0.000377906% change) + iteration 659: trace = 2.400119412680462 (0.000194707% change) + iteration 660: trace = 2.400098676779332 (0.000863957% change) + iteration 661: trace = 2.400089227562916 (0.000393702% change) + iteration 662: trace = 2.400046898522379 (0.00176366% change) + iteration 663: trace = 2.400013886420268 (0.00137549% change) + iteration 664: trace = 2.399967961164984 (0.00191356% change) + iteration 665: trace = 2.399887578721914 (0.00334937% change) + iteration 666: trace = 2.399860000478776 (0.00114915% change) + iteration 667: trace = 2.399768087834509 (0.00382999% change) + iteration 668: trace = 2.399724781837614 (0.00180461% change) + iteration 669: trace = 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700: trace = 2.39806097322006 (0.000680575% change) + iteration 701: trace = 2.398051300188873 (0.00040337% change) + iteration 702: trace = 2.398010964414803 (0.00168204% change) + iteration 703: trace = 2.397953155657619 (0.00241073% change) + iteration 704: trace = 2.397897911927216 (0.00230381% change) + iteration 705: trace = 2.397835505209209 (0.00260259% change) + iteration 706: trace = 2.397814783294909 (0.000864196% change) + iteration 707: trace = 2.397750125568635 (0.00269656% change) + iteration 708: trace = 2.397703339423025 (0.00195127% change) + iteration 709: trace = 2.397656796398346 (0.00194117% change) + iteration 710: trace = 2.397576440303609 (0.0033515% change) + iteration 711: trace = 2.397543156018305 (0.00138826% change) + iteration 712: trace = 2.397415805520239 (0.00531185% change) + iteration 713: trace = 2.397379131981839 (0.00152972% change) + iteration 714: trace = 2.397283187290241 (0.00400215% change) + iteration 715: trace = 2.397227984619907 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(0.000481472% change) + iteration 793: trace = 2.395281659382453 (0.00122967% change) + iteration 794: trace = 2.395269194832874 (0.000520381% change) + iteration 795: trace = 2.395255716203913 (0.00056272% change) + iteration 796: trace = 2.395246591289583 (0.000380959% change) + iteration 797: trace = 2.395241746452929 (0.000202269% change) + iteration 798: trace = 2.395234866451339 (0.000287237% change) + iteration 799: trace = 2.395232661660397 (9.20491e-05% change) + iteration 800: trace = 2.395225567714428 (0.00029617% change) + iteration 801: trace = 2.395219620704343 (0.000248286% change) + iteration 802: trace = 2.395209967758082 (0.00040301% change) + iteration 803: trace = 2.395191150004804 (0.000785644% change) + iteration 804: trace = 2.395182019117716 (0.000381218% change) + iteration 805: trace = 2.395140380332491 (0.00173845% change) + iteration 806: trace = 2.395127735044501 (0.000527957% change) + iteration 807: trace = 2.395094522966566 (0.00138666% change) + iteration 808: trace = 2.395065282947456 (0.00122084% change) + iteration 809: trace = 2.395046081687728 (0.000801704% change) + iteration 810: trace = 2.395000711457476 (0.00189435% change) + iteration 811: trace = 2.394982063393755 (0.000778628% change) + iteration 812: trace = 2.394931712653717 (0.00210237% change) + iteration 813: trace = 2.394900461101119 (0.00130491% change) + iteration 814: trace = 2.394884675658191 (0.000659129% change) + iteration 815: trace = 2.394863121096857 (0.000900029% change) + iteration 816: trace = 2.394847508195757 (0.000651935% change) + iteration 817: trace = 2.394838649937654 (0.000369889% change) + iteration 818: trace = 2.394823139387294 (0.000647668% change) + iteration 819: trace = 2.394819024565959 (0.000171822% change) + iteration 820: trace = 2.394805937277884 (0.000546485% change) + iteration 821: trace = 2.394784670435707 (0.000888044% change) + iteration 822: trace = 2.394773462657817 (0.000468009% change) + iteration 823: trace = 2.394732425237708 (0.00171364% change) + iteration 824: trace = 2.394701451177864 (0.00129343% change) + iteration 825: trace = 2.39466706592119 (0.0014359% change) + iteration 826: trace = 2.394618785843399 (0.00201617% change) + iteration 827: trace = 2.394599932036375 (0.000787344% change) + iteration 828: trace = 2.394562240893604 (0.00157402% change) + iteration 829: trace = 2.394523533906535 (0.00161647% change) + iteration 830: trace = 2.394515821653461 (0.000322079% change) + iteration 831: trace = 2.39448494864199 (0.00128933% change) + iteration 832: trace = 2.394474722873163 (0.000427056% change) + iteration 833: trace = 2.394456889095779 (0.000744791% change) + iteration 834: trace = 2.394438343425676 (0.000774528% change) + iteration 835: trace = 2.394428231943778 (0.000422291% change) + iteration 836: trace = 2.394400654576741 (0.00115174% change) + iteration 837: trace = 2.394392627235564 (0.000335255% change) + iteration 838: trace = 2.394383155333254 (0.000395588% change) + iteration 839: trace = 2.394376284275652 (0.000286966% change) + resetting CG direction... + iteration 840: trace = 2.394372605422368 (0.000153646% change) + iteration 841: trace = 2.394367401200701 (0.000217352% change) + iteration 842: trace = 2.394359029974493 (0.000349622% change) + iteration 843: trace = 2.394349661149325 (0.000391288% change) + iteration 844: trace = 2.394325022214113 (0.00102905% change) + iteration 845: trace = 2.394316447175374 (0.000358141% change) + iteration 846: trace = 2.39429302366731 (0.000978301% change) + iteration 847: trace = 2.39428559031433 (0.000310462% change) + iteration 848: trace = 2.394267739015736 (0.000745582% change) + iteration 849: trace = 2.394258406445127 (0.000389789% change) + iteration 850: trace = 2.394241453532948 (0.000708068% change) + iteration 851: trace = 2.394226205664202 (0.000636858% change) + switching back to exact line minimization + iteration 852: trace = 2.394205198664859 (0.000877406% change) linmin: converged after 4 iterations. - iteration 618: trace = 2.401208858022974 (0.00124643% change) - linmin: converged after 7 iterations. - iteration 619: trace = 2.401201445936205 (0.000308682% change) - large trace change predicted (0.000912018%) + iteration 853: trace = 2.394184380261046 (0.000869537% change) linmin: converged after 5 iterations. - iteration 620: trace = 2.401179545657997 (0.000912059% change) - linmin: converged after 4 iterations. - iteration 621: trace = 2.401167782659738 (0.000489885% change) + iteration 854: trace = 2.394157896792129 (0.00110616% change) linmin: converged after 5 iterations. - iteration 622: trace = 2.40115232401181 (0.000643799% change) - linmin: converged after 7 iterations. - iteration 623: trace = 2.401135431530021 (0.000703518% change) - linmin: converged after 6 iterations. - iteration 624: trace = 2.401127364772883 (0.000335957% change) - large trace change predicted (0.00109744%) - linmin: converged after 3 iterations. - iteration 625: trace = 2.401101017621681 (0.00109729% change) + iteration 855: trace = 2.394136224250111 (0.00090523% change) linmin: converged after 4 iterations. - iteration 626: trace = 2.40107893677681 (0.000919618% change) - linmin: converged after 5 iterations. - iteration 627: trace = 2.401046265969237 (0.00136068% change) - large trace change predicted (0.00310902%) - linmin: converged after 7 iterations. - iteration 628: trace = 2.400971683592469 (0.00310629% change) - linmin: converged after 6 iterations. - iteration 629: trace = 2.400920445009996 (0.0021341% change) - resetting CG direction... + iteration 856: trace = 2.394119287697665 (0.000707421% change) linmin: converged after 5 iterations. - iteration 630: trace = 2.400881191161568 (0.00163496% change) - linmin: converged after 4 iterations. - iteration 631: trace = 2.40083258118282 (0.00202469% change) + iteration 857: trace = 2.394097135284571 (0.000925289% change) linmin: converged after 5 iterations. - iteration 632: trace = 2.400775436330532 (0.00238024% change) + iteration 858: trace = 2.394084481110529 (0.000528559% change) linmin: converged after 5 iterations. - iteration 633: trace = 2.400758567069976 (0.000702661% change) - linmin: converged after 7 iterations. - iteration 634: trace = 2.400726208542434 (0.00134786% change) + iteration 859: trace = 2.394060493482665 (0.00100196% change) linmin: converged after 9 iterations. - iteration 635: trace = 2.400719717401779 (0.000270383% change) - large trace change predicted (0.000945239%) - linmin: converged after 5 iterations. - iteration 636: trace = 2.40069702601044 (0.000945196% change) - linmin: converged after 5 iterations. - iteration 637: trace = 2.400686304381208 (0.000446606% change) + iteration 860: trace = 2.394054923007834 (0.000232679% change) + large trace change predicted (0.000569328%) linmin: converged after 5 iterations. - iteration 638: trace = 2.400675961603981 (0.000430827% change) + iteration 861: trace = 2.394041294052721 (0.000569285% change) linmin: converged after 5 iterations. - iteration 639: trace = 2.40065557831117 (0.000849068% change) + iteration 862: trace = 2.394038277598125 (0.000125999% change) + large trace change predicted (0.000335398%) linmin: converged after 5 iterations. - iteration 640: trace = 2.40064577320946 (0.000408435% change) - large trace change predicted (0.00098766%) + iteration 863: trace = 2.394030249244123 (0.000335348% change) linmin: converged after 5 iterations. - iteration 641: trace = 2.400622068888652 (0.000987419% change) - linmin: converged after 6 iterations. - iteration 642: trace = 2.400614665424228 (0.000308398% change) - large trace change predicted (0.00091859%) + iteration 864: trace = 2.394026981514815 (0.000136495% change) linmin: converged after 5 iterations. - iteration 643: trace = 2.400592618195549 (0.000918404% change) + iteration 865: trace = 2.394021190437386 (0.000241897% change) linmin: converged after 5 iterations. - iteration 644: trace = 2.40057956515277 (0.000543744% change) + iteration 866: trace = 2.394014813005046 (0.00026639% change) linmin: converged after 4 iterations. - iteration 645: trace = 2.400562754288886 (0.000700286% change) + iteration 867: trace = 2.394005924299097 (0.000371289% change) linmin: converged after 6 iterations. - iteration 646: trace = 2.400530250256735 (0.00135403% change) - linmin: converged after 5 iterations. - iteration 647: trace = 2.400513378227578 (0.000702848% change) - large trace change predicted (0.00289488%) + iteration 868: trace = 2.393991898068294 (0.000585891% change) linmin: converged after 3 iterations. - iteration 648: trace = 2.400443876446262 (0.00289533% change) - linmin: converged after 8 iterations. - iteration 649: trace = 2.400425572419785 (0.00076253% change) - large trace change predicted (0.00303777%) - linmin: converged after 4 iterations. - iteration 650: trace = 2.400352645804773 (0.00303812% change) - linmin: converged after 4 iterations. - iteration 651: trace = 2.400311383372737 (0.00171903% change) + iteration 869: trace = 2.393979286397507 (0.000526806% change) linmin: converged after 5 iterations. - iteration 652: trace = 2.400271726383075 (0.00165217% change) - linmin: converged after 4 iterations. - iteration 653: trace = 2.400209603283523 (0.0025882% change) + iteration 870: trace = 2.393959697272226 (0.00081827% change) linmin: converged after 6 iterations. - iteration 654: trace = 2.400193321661681 (0.000678344% change) - large trace change predicted (0.00156829%) + iteration 871: trace = 2.393950703705244 (0.000375678% change) + large trace change predicted (0.000792978%) + linmin: converged after 8 iterations. + iteration 872: trace = 2.393931723969727 (0.000792824% change) + linmin: converged after 11 iterations. + iteration 873: trace = 2.393919482946759 (0.000511337% change) + linmin: converged after 7 iterations. + iteration 874: trace = 2.393902224967179 (0.000720912% change) linmin: converged after 6 iterations. - iteration 655: trace = 2.400155677053053 (0.00156841% change) - linmin: converged after 5 iterations. - iteration 656: trace = 2.400149186573974 (0.000270419% change) - large trace change predicted (0.000567482%) + iteration 875: trace = 2.393886361398059 (0.000662668% change) + linmin: converged after 4 iterations. + iteration 876: trace = 2.393878183744965 (0.000341606% change) + linmin: converged after 3 iterations. + iteration 877: trace = 2.393861939959893 (0.000678558% change) linmin: converged after 6 iterations. - iteration 657: trace = 2.400135566977637 (0.00056745% change) + iteration 878: trace = 2.393857365773433 (0.00019108% change) + large trace change predicted (0.000418374%) + linmin: converged after 3 iterations. + iteration 879: trace = 2.39384735213937 (0.000418306% change) linmin: converged after 5 iterations. - iteration 658: trace = 2.400127821202504 (0.000322723% change) - linmin: converged after 4 iterations. - iteration 659: trace = 2.400122253741531 (0.000231965% change) - large trace change predicted (0.000844315%) - linmin: converged after 4 iterations. - iteration 660: trace = 2.400101985735589 (0.000844461% change) + iteration 880: trace = 2.393842551879287 (0.000200525% change) + linmin: converged after 9 iterations. + iteration 881: trace = 2.393836273660565 (0.000262266% change) linmin: converged after 7 iterations. - iteration 661: trace = 2.400093730830167 (0.00034394% change) - large trace change predicted (0.00189139%) - linmin: converged after 5 iterations. - iteration 662: trace = 2.4000483255984 (0.00189183% change) - linmin: converged after 5 iterations. - iteration 663: trace = 2.400021388409706 (0.00112237% change) - large trace change predicted (0.00259541%) + iteration 882: trace = 2.393833825105203 (0.000102286% change) linmin: converged after 4 iterations. - iteration 664: trace = 2.399959089208699 (0.00259581% change) + iteration 883: trace = 2.393831272135558 (0.000106648% change) + linmin: converged after 6 iterations. + iteration 884: trace = 2.393829399974273 (7.82078e-05% change) linmin: converged after 3 iterations. - iteration 665: trace = 2.399890620760105 (0.00285294% change) + iteration 885: trace = 2.393827573138985 (7.63144e-05% change) + linmin: converged after 5 iterations. + iteration 886: trace = 2.393825820831645 (7.32011e-05% change) + linmin: converged after 4 iterations. + iteration 887: trace = 2.393823962451626 (7.76322e-05% change) + large trace change predicted (0.000194211%) linmin: converged after 6 iterations. - iteration 666: trace = 2.399858608154246 (0.00133393% change) - large trace change predicted (0.00375816%) + iteration 888: trace = 2.393819313836603 (0.000194192% change) + linmin: converged after 5 iterations. + iteration 889: trace = 2.393816273476421 (0.000127009% change) + large trace change predicted (0.000337172%) linmin: converged after 3 iterations. - iteration 667: trace = 2.399768444772164 (0.0037571% change) + iteration 890: trace = 2.393808202665032 (0.000337153% change) linmin: converged after 5 iterations. - iteration 668: trace = 2.399730308979426 (0.00158916% change) + iteration 891: trace = 2.393800474666701 (0.000322833% change) + linmin: converged after 8 iterations. + iteration 892: trace = 2.393793763255423 (0.000280367% change) + large trace change predicted (0.000595185%) + linmin: converged after 7 iterations. + iteration 893: trace = 2.3937795158971 (0.000595181% change) + linmin: converged after 9 iterations. + iteration 894: trace = 2.393774454540185 (0.000211438% change) linmin: converged after 5 iterations. - iteration 669: trace = 2.399659767508675 (0.0029396% change) + iteration 895: trace = 2.393766375420184 (0.000337506% change) linmin: converged after 5 iterations. - iteration 670: trace = 2.399569108335375 (0.00377807% change) + iteration 896: trace = 2.393762805619266 (0.000149129% change) + large trace change predicted (0.000451003%) linmin: converged after 5 iterations. - iteration 671: trace = 2.399539148698802 (0.00124855% change) - large trace change predicted (0.00353834%) - linmin: converged after 7 iterations. - iteration 672: trace = 2.399454245615263 (0.00353837% change) + iteration 897: trace = 2.393752009926086 (0.000450994% change) + linmin: converged after 4 iterations. + iteration 898: trace = 2.393749386649691 (0.000109589% change) + linmin: converged after 8 iterations. + iteration 899: trace = 2.393745224052816 (0.000173895% change) + linmin: converged after 5 iterations. + iteration 900: trace = 2.393742272972128 (0.000123283% change) + linmin: converged after 17 iterations. + iteration 901: trace = 2.393740721182607 (6.48269e-05% change) + linmin: converged after 3 iterations. + iteration 902: trace = 2.393738533002054 (9.14126e-05% change) linmin: converged after 4 iterations. - iteration 673: trace = 2.399413389867977 (0.00170272% change) + iteration 903: trace = 2.39373758198608 (3.97293e-05% change) + large trace change predicted (9.19474e-05%) + linmin: converged after 5 iterations. + iteration 904: trace = 2.393735380964196 (9.19492e-05% change) linmin: converged after 5 iterations. - iteration 674: trace = 2.399383992729808 (0.00122519% change) + iteration 905: trace = 2.393734592591243 (3.29348e-05% change) + large trace change predicted (0.000115579%) linmin: converged after 6 iterations. - iteration 675: trace = 2.399327126021597 (0.00237008% change) + iteration 906: trace = 2.39373182580517 (0.000115585% change) linmin: converged after 4 iterations. - iteration 676: trace = 2.39931669573767 (0.000434718% change) - large trace change predicted (0.0014553%) + iteration 907: trace = 2.393730439533009 (5.79126e-05% change) linmin: converged after 4 iterations. - iteration 677: trace = 2.399281780488946 (0.00145523% change) - linmin: converged after 6 iterations. - iteration 678: trace = 2.399269557289851 (0.000509454% change) - large trace change predicted (0.00104003%) + iteration 908: trace = 2.393728290809842 (8.97647e-05% change) + linmin: converged after 4 iterations. + iteration 909: trace = 2.393725989140799 (9.61542e-05% change) + resetting CG direction... linmin: converged after 7 iterations. - iteration 679: trace = 2.399244605134143 (0.00104% change) - linmin: converged after 5 iterations. - iteration 680: trace = 2.399209778341632 (0.00145158% change) + iteration 910: trace = 2.393724127063805 (7.77899e-05% change) linmin: converged after 6 iterations. - iteration 681: trace = 2.399187993198304 (0.000908017% change) - large trace change predicted (0.00415945%) - linmin: converged after 5 iterations. - iteration 682: trace = 2.399088210314647 (0.00415911% change) + iteration 911: trace = 2.393723345131412 (3.26659e-05% change) + large trace change predicted (7.61706e-05%) + linmin: converged after 4 iterations. + iteration 912: trace = 2.393721521857463 (7.6169e-05% change) linmin: converged after 5 iterations. - iteration 683: trace = 2.399056221718275 (0.00133337% change) - large trace change predicted (0.00596721%) + iteration 913: trace = 2.393720197307823 (5.53343e-05% change) linmin: converged after 3 iterations. - iteration 684: trace = 2.398913104911782 (0.00596572% change) + iteration 914: trace = 2.39371903682924 (4.84801e-05% change) + large trace change predicted (0.000121632%) linmin: converged after 3 iterations. - iteration 685: trace = 2.398850811939598 (0.00259675% change) + iteration 915: trace = 2.393716125168595 (0.000121638% change) + linmin: converged after 9 iterations. + iteration 916: trace = 2.393714924799418 (5.01467e-05% change) + large trace change predicted (0.000245984%) linmin: converged after 6 iterations. - iteration 686: trace = 2.39875700122225 (0.00391073% change) + iteration 917: trace = 2.393709035996199 (0.000246011% change) linmin: converged after 5 iterations. - iteration 687: trace = 2.398633677363022 (0.00514129% change) - linmin: converged after 11 iterations. - iteration 688: trace = 2.398597001553794 (0.00152904% change) - large trace change predicted (0.00529396%) + iteration 918: trace = 2.393703366025439 (0.00023687% change) + linmin: converged after 5 iterations. + iteration 919: trace = 2.393697300620644 (0.00025339% change) + linmin: converged after 6 iterations. + iteration 920: trace = 2.393687984289627 (0.000389203% change) + linmin: converged after 7 iterations. + iteration 921: trace = 2.393684509810184 (0.000145152% change) + large trace change predicted (0.000350161%) + linmin: converged after 5 iterations. + iteration 922: trace = 2.393676129332903 (0.000350108% change) + linmin: converged after 2 iterations. + iteration 923: trace = 2.393670251047127 (0.000245576% change) linmin: converged after 7 iterations. - iteration 689: trace = 2.398470057235489 (0.00529258% change) + iteration 924: trace = 2.393666365145176 (0.000162341% change) linmin: converged after 4 iterations. - iteration 690: trace = 2.398437960445294 (0.00133823% change) - linmin: converged after 3 iterations. - iteration 691: trace = 2.398391230601388 (0.00194836% change) + iteration 925: trace = 2.393659871783503 (0.000271273% change) linmin: converged after 4 iterations. - iteration 692: trace = 2.39833206436131 (0.00246694% change) + iteration 926: trace = 2.393655026312859 (0.00020243% change) + linmin: converged after 8 iterations. + iteration 927: trace = 2.393652043109241 (0.00012463% change) + large trace change predicted (0.000296522%) linmin: converged after 5 iterations. - iteration 693: trace = 2.398305795553497 (0.0010953% change) - large trace change predicted (0.00229367%) + iteration 928: trace = 2.393644944234627 (0.000296571% change) + linmin: converged after 11 iterations. + iteration 929: trace = 2.393643394995114 (6.47231e-05% change) + large trace change predicted (0.000186018%) + linmin: converged after 6 iterations. + iteration 930: trace = 2.393638941973355 (0.000186035% change) linmin: converged after 5 iterations. - iteration 694: trace = 2.398250809738408 (0.00229272% change) - linmin: converged after 3 iterations. - iteration 695: trace = 2.398206801623472 (0.00183503% change) + iteration 931: trace = 2.393637024135339 (8.01223e-05% change) linmin: converged after 5 iterations. - iteration 696: trace = 2.398147832334272 (0.00245892% change) - linmin: converged after 7 iterations. - iteration 697: trace = 2.398099658302062 (0.00200882% change) + iteration 932: trace = 2.393635609552867 (5.90976e-05% change) + large trace change predicted (0.000122412%) linmin: converged after 6 iterations. - iteration 698: trace = 2.398077434923507 (0.000926712% change) - linmin: converged after 5 iterations. - iteration 699: trace = 2.398055295282286 (0.000923229% change) - resetting CG direction... + iteration 933: trace = 2.393632679664435 (0.000122403% change) linmin: converged after 5 iterations. - iteration 700: trace = 2.398045005095203 (0.000429106% change) - linmin: converged after 3 iterations. - iteration 701: trace = 2.398031251454867 (0.000573537% change) - large trace change predicted (0.00235806%) + iteration 934: trace = 2.393631962483046 (2.99621e-05% change) + large trace change predicted (0.000130792%) linmin: converged after 4 iterations. - iteration 702: trace = 2.397974705301421 (0.00235805% change) - linmin: converged after 6 iterations. - iteration 703: trace = 2.397952140548108 (0.000940997% change) - large trace change predicted (0.00347249%) + iteration 935: trace = 2.393628832033561 (0.000130782% change) linmin: converged after 4 iterations. - iteration 704: trace = 2.397868868267941 (0.0034727% change) - linmin: converged after 5 iterations. - iteration 705: trace = 2.397836629143445 (0.0013445% change) + iteration 936: trace = 2.393627460540302 (5.72977e-05% change) + large trace change predicted (0.000152665%) linmin: converged after 6 iterations. - iteration 706: trace = 2.397785394565341 (0.00213672% change) + iteration 937: trace = 2.393623806655756 (0.000152651% change) linmin: converged after 4 iterations. - iteration 707: trace = 2.397725891231192 (0.00248163% change) - linmin: converged after 8 iterations. - iteration 708: trace = 2.397705434124033 (0.000853192% change) - large trace change predicted (0.00267083%) + iteration 938: trace = 2.393619682032816 (0.000172317% change) linmin: converged after 5 iterations. - iteration 709: trace = 2.397641391226871 (0.00267104% change) - linmin: converged after 4 iterations. - iteration 710: trace = 2.397547201218146 (0.00392852% change) + iteration 939: trace = 2.393614576037244 (0.000213317% change) + large trace change predicted (0.000626715%) linmin: converged after 5 iterations. - iteration 711: trace = 2.397513953342903 (0.00138676% change) - large trace change predicted (0.00618255%) - linmin: converged after 3 iterations. - iteration 712: trace = 2.397365753453123 (0.00618159% change) + iteration 940: trace = 2.393599573599797 (0.000626771% change) linmin: converged after 5 iterations. - iteration 713: trace = 2.397327041730609 (0.00161477% change) - large trace change predicted (0.00361742%) - linmin: converged after 4 iterations. - iteration 714: trace = 2.397240334136916 (0.00361691% change) - linmin: converged after 3 iterations. - iteration 715: trace = 2.397143726677977 (0.00403003% change) + iteration 941: trace = 2.393593472674391 (0.000254885% change) + large trace change predicted (0.000922964%) + linmin: converged after 5 iterations. + iteration 942: trace = 2.393571377602204 (0.000923096% change) linmin: converged after 4 iterations. - iteration 716: trace = 2.39711205118414 (0.00132139% change) - large trace change predicted (0.00333039%) - linmin: converged after 3 iterations. - iteration 717: trace = 2.39703224056156 (0.0033295% change) - linmin: converged after 6 iterations. - iteration 718: trace = 2.397006072532194 (0.00109169% change) + iteration 943: trace = 2.393559219590245 (0.000507946% change) linmin: converged after 5 iterations. - iteration 719: trace = 2.396973952962859 (0.00134% change) + iteration 944: trace = 2.393547901804402 (0.000472844% change) + linmin: converged after 9 iterations. + iteration 945: trace = 2.393540619650637 (0.000304241% change) linmin: converged after 6 iterations. - iteration 720: trace = 2.396952050002569 (0.00091378% change) + iteration 946: trace = 2.393537618113959 (0.000125402% change) linmin: converged after 4 iterations. - iteration 721: trace = 2.396941430042514 (0.000443062% change) - large trace change predicted (0.00089795%) - linmin: converged after 5 iterations. - iteration 722: trace = 2.396919914532225 (0.000897628% change) - linmin: converged after 5 iterations. - iteration 723: trace = 2.396897661914431 (0.000928388% change) + iteration 947: trace = 2.39353244453746 (0.000216148% change) linmin: converged after 6 iterations. - iteration 724: trace = 2.39686994051504 (0.00115656% change) + iteration 948: trace = 2.393530011208015 (0.000101663% change) linmin: converged after 4 iterations. - iteration 725: trace = 2.396817530998328 (0.00218661% change) - linmin: converged after 5 iterations. - iteration 726: trace = 2.396794726927751 (0.000951436% change) - large trace change predicted (0.00229541%) - linmin: converged after 5 iterations. - iteration 727: trace = 2.396739731301993 (0.00229458% change) - linmin: converged after 12 iterations. - iteration 728: trace = 2.396699912372668 (0.00166139% change) - linmin: converged after 5 iterations. - iteration 729: trace = 2.39665887172729 (0.0017124% change) - linmin: converged after 5 iterations. - iteration 730: trace = 2.396597099071831 (0.00257748% change) + iteration 949: trace = 2.393526025679468 (0.000166513% change) + linmin: converged after 4 iterations. + iteration 950: trace = 2.393521478374771 (0.000189984% change) linmin: converged after 5 iterations. - iteration 731: trace = 2.396577201214417 (0.000830258% change) - large trace change predicted (0.00294524%) + iteration 951: trace = 2.393519211860121 (9.46938e-05% change) + linmin: converged after 8 iterations. + iteration 952: trace = 2.393515021119406 (0.000175087% change) linmin: converged after 6 iterations. - iteration 732: trace = 2.396506669043147 (0.00294308% change) + iteration 953: trace = 2.393511013470289 (0.000167438% change) linmin: converged after 4 iterations. - iteration 733: trace = 2.39645286587445 (0.00224509% change) - linmin: converged after 5 iterations. - iteration 734: trace = 2.396417089640879 (0.00149289% change) + iteration 954: trace = 2.393506276568427 (0.000197906% change) + linmin: converged after 6 iterations. + iteration 955: trace = 2.393500857102199 (0.000226424% change) + linmin: converged after 6 iterations. + iteration 956: trace = 2.39349658688568 (0.000178409% change) + linmin: converged after 4 iterations. + iteration 957: trace = 2.393488302336588 (0.000346128% change) + linmin: converged after 3 iterations. + iteration 958: trace = 2.393482530187921 (0.000241161% change) linmin: converged after 4 iterations. - iteration 735: trace = 2.396375339372929 (0.00174221% change) + iteration 959: trace = 2.393472358070238 (0.000424993% change) + linmin: converged after 6 iterations. + iteration 960: trace = 2.393458293386348 (0.000587628% change) + linmin: converged after 9 iterations. + iteration 961: trace = 2.393448821314607 (0.000395749% change) linmin: converged after 4 iterations. - iteration 736: trace = 2.396353827080573 (0.000897705% change) + iteration 962: trace = 2.393434593378391 (0.000594455% change) + linmin: converged after 8 iterations. + iteration 963: trace = 2.393429660358012 (0.000206107% change) linmin: converged after 5 iterations. - iteration 737: trace = 2.396332295684323 (0.000898511% change) + iteration 964: trace = 2.393420092059384 (0.000399774% change) + linmin: converged after 9 iterations. + iteration 965: trace = 2.393415201714991 (0.000204325% change) linmin: converged after 4 iterations. - iteration 738: trace = 2.396315736672283 (0.000691017% change) + iteration 966: trace = 2.393412674873859 (0.000105575% change) + large trace change predicted (0.000245218%) linmin: converged after 6 iterations. - iteration 739: trace = 2.396312630559705 (0.00012962% change) - large trace change predicted (0.000333809%) + iteration 967: trace = 2.393406805947841 (0.000245212% change) + linmin: converged after 15 iterations. + iteration 968: trace = 2.393405658005687 (4.79627e-05% change) + large trace change predicted (0.000139109%) linmin: converged after 4 iterations. - iteration 740: trace = 2.396304633084968 (0.000333741% change) - linmin: converged after 11 iterations. - iteration 741: trace = 2.396297636871418 (0.000291959% change) + iteration 969: trace = 2.39340232857851 (0.000139108% change) + linmin: converged after 9 iterations. + iteration 970: trace = 2.39340087086658 (6.09054e-05% change) + linmin: converged after 6 iterations. + iteration 971: trace = 2.393399271407092 (6.68279e-05% change) + large trace change predicted (0.000421301%) linmin: converged after 5 iterations. - iteration 742: trace = 2.396293503591808 (0.000172486% change) - large trace change predicted (0.000966486%) + iteration 972: trace = 2.393389189204246 (0.000421251% change) + linmin: converged after 7 iterations. + iteration 973: trace = 2.39338648441336 (0.000113011% change) + large trace change predicted (0.000746341%) linmin: converged after 5 iterations. - iteration 743: trace = 2.396270350438698 (0.000966212% change) + iteration 974: trace = 2.393368623212267 (0.000746276% change) + linmin: converged after 8 iterations. + iteration 975: trace = 2.393362571959194 (0.000252834% change) + large trace change predicted (0.000527496%) + linmin: converged after 3 iterations. + iteration 976: trace = 2.393349945551954 (0.000527561% change) linmin: converged after 4 iterations. - iteration 744: trace = 2.39625559887979 (0.000615607% change) - large trace change predicted (0.00156451%) + iteration 977: trace = 2.393333514477454 (0.000686533% change) + linmin: converged after 4 iterations. + iteration 978: trace = 2.393323571335224 (0.000415452% change) linmin: converged after 5 iterations. - iteration 745: trace = 2.396218132081826 (0.00156357% change) - linmin: converged after 7 iterations. - iteration 746: trace = 2.396169474875157 (0.0020306% change) + iteration 979: trace = 2.393307967557211 (0.000651973% change) + resetting CG direction... + linmin: converged after 4 iterations. + iteration 980: trace = 2.393302533234402 (0.000227064% change) + large trace change predicted (0.000466342%) + linmin: converged after 2 iterations. + iteration 981: trace = 2.393291372211949 (0.000466345% change) linmin: converged after 5 iterations. - iteration 747: trace = 2.396147015181723 (0.000937321% change) - linmin: converged after 3 iterations. - iteration 748: trace = 2.396112948043588 (0.00142176% change) - linmin: converged after 3 iterations. - iteration 749: trace = 2.396072068815776 (0.00170608% change) + iteration 982: trace = 2.393278152894745 (0.00055235% change) linmin: converged after 5 iterations. - iteration 750: trace = 2.396054100642392 (0.000749904% change) - linmin: converged after 7 iterations. - iteration 751: trace = 2.396027193967936 (0.00112296% change) + iteration 983: trace = 2.393272425687905 (0.000239304% change) + linmin: converged after 2 iterations. + iteration 984: trace = 2.393261563098735 (0.000453881% change) + linmin: converged after 5 iterations. + iteration 985: trace = 2.393254674961139 (0.000287814% change) linmin: converged after 5 iterations. - iteration 752: trace = 2.396019695526097 (0.000312954% change) + iteration 986: trace = 2.393247926613701 (0.000281974% change) linmin: converged after 4 iterations. - iteration 753: trace = 2.396005374020965 (0.000597722% change) - linmin: converged after 3 iterations. - iteration 754: trace = 2.395994483785818 (0.000454517% change) + iteration 987: trace = 2.393243308643398 (0.000192958% change) linmin: converged after 4 iterations. - iteration 755: trace = 2.395989219877737 (0.000219696% change) - large trace change predicted (0.000528901%) - linmin: converged after 7 iterations. - iteration 756: trace = 2.395976548034334 (0.000528879% change) + iteration 988: trace = 2.393241792562982 (6.33484e-05% change) + linmin: converged after 3 iterations. + iteration 989: trace = 2.393240217977227 (6.5793e-05% change) linmin: converged after 4 iterations. - iteration 757: trace = 2.395965620400097 (0.000456084% change) + iteration 990: trace = 2.393239184543618 (4.31814e-05% change) + linmin: converged after 13 iterations. + iteration 991: trace = 2.393237872960006 (5.48037e-05% change) linmin: converged after 4 iterations. - iteration 758: trace = 2.395957841866318 (0.000324652% change) - linmin: converged after 17 iterations. - iteration 759: trace = 2.395945239267996 (0.000525996% change) + iteration 992: trace = 2.393235444980149 (0.000101452% change) linmin: converged after 7 iterations. - iteration 760: trace = 2.395939241072151 (0.000250348% change) - linmin: converged after 4 iterations. - iteration 761: trace = 2.395929689734224 (0.000398648% change) + iteration 993: trace = 2.393234631482426 (3.39916e-05% change) + large trace change predicted (0.000129603%) + linmin: converged after 9 iterations. + iteration 994: trace = 2.393231529909413 (0.000129598% change) linmin: converged after 5 iterations. - iteration 762: trace = 2.395923084939838 (0.000275668% change) - linmin: converged after 3 iterations. - iteration 763: trace = 2.395910336231919 (0.000532101% change) + iteration 995: trace = 2.393228625934027 (0.000121341% change) linmin: converged after 6 iterations. - iteration 764: trace = 2.395893421942324 (0.000705968% change) - linmin: converged after 5 iterations. - iteration 765: trace = 2.395869296266789 (0.00100696% change) - linmin: converged after 5 iterations. - iteration 766: trace = 2.39584030701188 (0.00120998% change) - linmin: converged after 5 iterations. - iteration 767: trace = 2.395803582852315 (0.00153284% change) - large trace change predicted (0.00586152%) - linmin: converged after 7 iterations. - iteration 768: trace = 2.395663429710101 (0.00585011% change) + iteration 996: trace = 2.393224417339717 (0.000175854% change) + linmin: converged after 3 iterations. + iteration 997: trace = 2.393217803160785 (0.000276371% change) linmin: converged after 5 iterations. - iteration 769: trace = 2.395561522454289 (0.00425391% change) - resetting CG direction... - linmin: converged after 4 iterations. - iteration 770: trace = 2.395446000829811 (0.00482244% change) + iteration 998: trace = 2.393215517109582 (9.55221e-05% change) + large trace change predicted (0.000324596%) linmin: converged after 3 iterations. - iteration 771: trace = 2.395361967144426 (0.00350812% change) - linmin: converged after 4 iterations. - iteration 772: trace = 2.39531206531116 (0.00208329% change) + iteration 999: trace = 2.393207748851377 (0.000324596% change) + linmin: converged after 13 iterations. + iteration 1000: trace = 2.393203468071545 (0.000178872% change) linmin: converged after 6 iterations. - iteration 773: trace = 2.395303117794417 (0.000373544% change) - large trace change predicted (0.00108904%) + iteration 1001: trace = 2.393200542006923 (0.000122266% change) + linmin: converged after 8 iterations. + iteration 1002: trace = 2.393196674422549 (0.000161607% change) + linmin: converged after 4 iterations. + iteration 1003: trace = 2.393195334162875 (5.60029e-05% change) + linmin: converged after 4 iterations. + iteration 1004: trace = 2.393193853188556 (6.18827e-05% change) + linmin: converged after 8 iterations. + iteration 1005: trace = 2.393191756705041 (8.76019e-05% change) + linmin: converged after 8 iterations. + iteration 1006: trace = 2.393191183729585 (2.39419e-05% change) + large trace change predicted (8.49681e-05%) + linmin: converged after 9 iterations. + iteration 1007: trace = 2.393189150395723 (8.49633e-05% change) linmin: converged after 5 iterations. - iteration 774: trace = 2.39527703439986 (0.00108895% change) - linmin: converged after 6 iterations. - iteration 775: trace = 2.395267669889619 (0.000390958% change) + iteration 1008: trace = 2.393187537368202 (6.74008e-05% change) linmin: converged after 7 iterations. - iteration 776: trace = 2.395260993343948 (0.000278739% change) - linmin: converged after 18 iterations. - iteration 777: trace = 2.395252458157278 (0.000356337% change) - linmin: converged after 5 iterations. - iteration 778: trace = 2.395248379129995 (0.000170296% change) - linmin: converged after 4 iterations. - iteration 779: trace = 2.395241166995908 (0.000301102% change) + iteration 1009: trace = 2.39318673234185 (3.36383e-05% change) + linmin: converged after 2 iterations. + iteration 1010: trace = 2.3931856898946 (4.3559e-05% change) linmin: converged after 4 iterations. - iteration 780: trace = 2.395229930896045 (0.000469102% change) - linmin: converged after 6 iterations. - iteration 781: trace = 2.395226872926693 (0.000127669% change) - large trace change predicted (0.000483009%) + iteration 1011: trace = 2.3931846883909 (4.18481e-05% change) linmin: converged after 5 iterations. - iteration 782: trace = 2.39521530600261 (0.000482917% change) + iteration 1012: trace = 2.393183355365211 (5.57009e-05% change) + large trace change predicted (0.000145878%) linmin: converged after 4 iterations. - iteration 783: trace = 2.395209276857976 (0.000251717% change) + iteration 1013: trace = 2.393179864530563 (0.000145866% change) linmin: converged after 4 iterations. - iteration 784: trace = 2.395202014511145 (0.000303203% change) + iteration 1014: trace = 2.393178545026164 (5.5136e-05% change) + large trace change predicted (0.000225037%) linmin: converged after 3 iterations. - iteration 785: trace = 2.39519001973183 (0.000500785% change) + iteration 1015: trace = 2.393173160656537 (0.000224988% change) + linmin: converged after 8 iterations. + iteration 1016: trace = 2.393169271944267 (0.000162492% change) + linmin: converged after 8 iterations. + iteration 1017: trace = 2.393167045105818 (9.30498e-05% change) linmin: converged after 5 iterations. - iteration 786: trace = 2.395183202267537 (0.000284632% change) - large trace change predicted (0.000592757%) - linmin: converged after 4 iterations. - iteration 787: trace = 2.39516900163785 (0.000592885% change) - large trace change predicted (0.00130179%) + iteration 1018: trace = 2.39316321830252 (0.000159906% change) linmin: converged after 4 iterations. - iteration 788: trace = 2.395137816835079 (0.001302% change) - linmin: converged after 5 iterations. - iteration 789: trace = 2.395126514085332 (0.000471905% change) - large trace change predicted (0.00159137%) + iteration 1019: trace = 2.393162279698402 (3.92202e-05% change) + linmin: converged after 10 iterations. + iteration 1020: trace = 2.393161059925327 (5.09691e-05% change) linmin: converged after 6 iterations. - iteration 790: trace = 2.395088394572273 (0.00159156% change) - linmin: converged after 5 iterations. - iteration 791: trace = 2.395072452947586 (0.000665599% change) - linmin: converged after 5 iterations. - iteration 792: trace = 2.395050389543344 (0.000921204% change) - linmin: converged after 5 iterations. - iteration 793: trace = 2.39502083065363 (0.00123417% change) - linmin: converged after 5 iterations. - iteration 794: trace = 2.395015504693964 (0.000222377% change) - large trace change predicted (0.000737543%) - linmin: converged after 5 iterations. - iteration 795: trace = 2.394997837856636 (0.000737653% change) - linmin: converged after 5 iterations. - iteration 796: trace = 2.394991097299907 (0.000281444% change) - linmin: converged after 7 iterations. - iteration 797: trace = 2.394987425337961 (0.000153319% change) - linmin: converged after 5 iterations. - iteration 798: trace = 2.394981614329743 (0.000242632% change) - linmin: converged after 9 iterations. - iteration 799: trace = 2.394978482568882 (0.000130764% change) - large trace change predicted (0.00027808%) - linmin: converged after 5 iterations. - iteration 800: trace = 2.394971822877183 (0.000278069% change) + iteration 1021: trace = 2.393160202664212 (3.58213e-05% change) linmin: converged after 5 iterations. - iteration 801: trace = 2.394960933439378 (0.00045468% change) + iteration 1022: trace = 2.393159977884816 (9.39258e-06% change) linmin: converged after 5 iterations. - iteration 802: trace = 2.39495345903919 (0.000312089% change) - large trace change predicted (0.00109941%) - linmin: converged after 9 iterations. - iteration 803: trace = 2.394927131361643 (0.0010993% change) - linmin: converged after 3 iterations. - iteration 804: trace = 2.394916959856176 (0.000424711% change) - large trace change predicted (0.000963014%) + iteration 1023: trace = 2.393159538503929 (1.83599e-05% change) linmin: converged after 4 iterations. - iteration 805: trace = 2.394893897628245 (0.00096297% change) - linmin: converged after 3 iterations. - iteration 806: trace = 2.394868149668156 (0.00107512% change) - linmin: converged after 5 iterations. - iteration 807: trace = 2.394857819206549 (0.000431359% change) - large trace change predicted (0.00144494%) + iteration 1024: trace = 2.39315903424359 (2.10709e-05% change) linmin: converged after 5 iterations. - iteration 808: trace = 2.394823208703843 (0.00144521% change) + iteration 1025: trace = 2.39315880357148 (9.63881e-06% change) + large trace change predicted (3.03439e-05%) linmin: converged after 5 iterations. - iteration 809: trace = 2.394803583396851 (0.000819492% change) - large trace change predicted (0.0022392%) - linmin: converged after 3 iterations. - iteration 810: trace = 2.394749946297767 (0.00223975% change) + iteration 1026: trace = 2.393158077408281 (3.03433e-05% change) + linmin: converged after 11 iterations. + iteration 1027: trace = 2.393157617630162 (1.92122e-05% change) + large trace change predicted (3.90498e-05%) linmin: converged after 3 iterations. - iteration 811: trace = 2.394727258261355 (0.000947412% change) - linmin: converged after 5 iterations. - iteration 812: trace = 2.39469443776746 (0.00137054% change) - linmin: converged after 4 iterations. - iteration 813: trace = 2.394668229468161 (0.00109444% change) - linmin: converged after 8 iterations. - iteration 814: trace = 2.394658589003982 (0.000402581% change) - large trace change predicted (0.000913792%) - linmin: converged after 4 iterations. - iteration 815: trace = 2.394636705905853 (0.000913834% change) + iteration 1028: trace = 2.39315668309872 (3.90501e-05% change) + linmin: converged after 11 iterations. + iteration 1029: trace = 2.393155173455902 (6.30817e-05% change) + linmin: converged after 6 iterations. + iteration 1030: trace = 2.393154711210755 (1.93153e-05% change) + large trace change predicted (4.55294e-05%) + linmin: converged after 9 iterations. + iteration 1031: trace = 2.393153621709541 (4.55257e-05% change) linmin: converged after 5 iterations. - iteration 816: trace = 2.394632307094083 (0.000183694% change) - large trace change predicted (0.000516255%) - linmin: converged after 4 iterations. - iteration 817: trace = 2.394619943895298 (0.000516289% change) + iteration 1032: trace = 2.393152334562199 (5.37846e-05% change) linmin: converged after 4 iterations. - iteration 818: trace = 2.39461671943049 (0.000134655% change) - large trace change predicted (0.000326782%) + iteration 1033: trace = 2.393151653563605 (2.84561e-05% change) + large trace change predicted (8.28944e-05%) linmin: converged after 4 iterations. - iteration 819: trace = 2.394608892271069 (0.000326865% change) + iteration 1034: trace = 2.3931496697863 (8.2894e-05% change) linmin: converged after 4 iterations. - iteration 820: trace = 2.39460260303577 (0.000262642% change) - large trace change predicted (0.000660226%) + iteration 1035: trace = 2.393149214914738 (1.90072e-05% change) + large trace change predicted (5.98397e-05%) linmin: converged after 4 iterations. - iteration 821: trace = 2.394586792377225 (0.000660264% change) + iteration 1036: trace = 2.39314778289567 (5.98383e-05% change) + linmin: converged after 7 iterations. + iteration 1037: trace = 2.393146716032372 (4.45799e-05% change) linmin: converged after 5 iterations. - iteration 822: trace = 2.394576647914976 (0.000423642% change) - large trace change predicted (0.0013203%) + iteration 1038: trace = 2.393145958206149 (3.16665e-05% change) + large trace change predicted (6.78143e-05%) linmin: converged after 4 iterations. - iteration 823: trace = 2.394545024131449 (0.00132065% change) - linmin: converged after 5 iterations. - iteration 824: trace = 2.394529067311698 (0.000666384% change) - large trace change predicted (0.0014456%) - linmin: converged after 6 iterations. - iteration 825: trace = 2.394494452940763 (0.00144557% change) + iteration 1039: trace = 2.393144335333193 (6.78134e-05% change) linmin: converged after 5 iterations. - iteration 826: trace = 2.394471338000631 (0.000965342% change) + iteration 1040: trace = 2.393144056976937 (1.16314e-05% change) + large trace change predicted (3.76151e-05%) linmin: converged after 5 iterations. - iteration 827: trace = 2.394442762291112 (0.00119341% change) + iteration 1041: trace = 2.39314315681073 (3.76144e-05% change) linmin: converged after 4 iterations. - iteration 828: trace = 2.3944131619857 (0.00123622% change) - linmin: converged after 6 iterations. - iteration 829: trace = 2.394388774008185 (0.00101854% change) + iteration 1042: trace = 2.393143004109053 (6.3808e-06% change) + large trace change predicted (1.29878e-05%) linmin: converged after 4 iterations. - iteration 830: trace = 2.394357474389021 (0.00130722% change) + iteration 1043: trace = 2.39314269329048 (1.29879e-05% change) + linmin: converged after 4 iterations. + iteration 1044: trace = 2.39314249017652 (8.48733e-06% change) + linmin: converged after 9 iterations. + iteration 1045: trace = 2.393142375513358 (4.79132e-06% change) linmin: converged after 9 iterations. - iteration 831: trace = 2.394348803618946 (0.000362134% change) - large trace change predicted (0.000955955%) + iteration 1046: trace = 2.393142151883928 (9.34459e-06% change) linmin: converged after 6 iterations. - iteration 832: trace = 2.39432591439819 (0.000955973% change) - linmin: converged after 5 iterations. - iteration 833: trace = 2.39432053798157 (0.000224548% change) - large trace change predicted (0.00053403%) + iteration 1047: trace = 2.393142029982418 (5.09378e-06% change) + large trace change predicted (6.29185e-05%) linmin: converged after 4 iterations. - iteration 834: trace = 2.394307751493337 (0.000534036% change) - linmin: converged after 5 iterations. - iteration 835: trace = 2.394297874893897 (0.000412504% change) - linmin: converged after 6 iterations. - iteration 836: trace = 2.39428188357044 (0.000667894% change) + iteration 1048: trace = 2.393140524263044 (6.29181e-05% change) linmin: converged after 4 iterations. - iteration 837: trace = 2.394272584284218 (0.000388396% change) - linmin: converged after 6 iterations. - iteration 838: trace = 2.39425758168261 (0.000626606% change) - linmin: converged after 6 iterations. - iteration 839: trace = 2.394251619057628 (0.000249039% change) + iteration 1049: trace = 2.3931391328871 (5.81402e-05% change) resetting CG direction... - linmin: converged after 5 iterations. - iteration 840: trace = 2.394247018378142 (0.000192155% change) + linmin: converged after 8 iterations. + iteration 1050: trace = 2.393138102171308 (4.30696e-05% change) linmin: converged after 4 iterations. - iteration 841: trace = 2.394240730996433 (0.000262604% change) - linmin: converged after 5 iterations. - iteration 842: trace = 2.39423740212113 (0.000139037% change) - linmin: converged after 5 iterations. - iteration 843: trace = 2.394233315222262 (0.000170697% change) - large trace change predicted (0.000392461%) + iteration 1051: trace = 2.393136803099225 (5.42832e-05% change) + linmin: converged after 8 iterations. + iteration 1052: trace = 2.393136570782643 (9.70762e-06% change) + linmin: converged after 7 iterations. + iteration 1053: trace = 2.393136163914314 (1.70015e-05% change) linmin: converged after 4 iterations. - iteration 844: trace = 2.394223918867664 (0.000392459% change) - linmin: converged after 6 iterations. - iteration 845: trace = 2.394217129012838 (0.000283594% change) - large trace change predicted (0.000995882%) - linmin: converged after 9 iterations. - iteration 846: trace = 2.394193287726607 (0.000995791% change) - linmin: converged after 5 iterations. - iteration 847: trace = 2.394164659397895 (0.00119575% change) - linmin: converged after 5 iterations. - iteration 848: trace = 2.394146477985685 (0.000759408% change) - linmin: converged after 5 iterations. - iteration 849: trace = 2.394118677440451 (0.00116119% change) + iteration 1054: trace = 2.393135926659985 (9.91395e-06% change) linmin: converged after 8 iterations. - iteration 850: trace = 2.394100569723913 (0.000756345% change) + iteration 1055: trace = 2.393135837772614 (3.71426e-06% change) + large trace change predicted (8.09462e-06%) linmin: converged after 7 iterations. - iteration 851: trace = 2.394085040503797 (0.000648647% change) + iteration 1056: trace = 2.393135644055484 (8.0947e-06% change) linmin: converged after 5 iterations. - iteration 852: trace = 2.394058508701435 (0.00110823% change) + iteration 1057: trace = 2.393135447453891 (8.21523e-06% change) + linmin: converged after 7 iterations. + iteration 1058: trace = 2.3931350622743 (1.60952e-05% change) linmin: converged after 5 iterations. - iteration 853: trace = 2.394050704300158 (0.000325991% change) - large trace change predicted (0.000906446%) + iteration 1059: trace = 2.39313451367557 (2.29239e-05% change) linmin: converged after 4 iterations. - iteration 854: trace = 2.394029009269474 (0.00090621% change) + iteration 1060: trace = 2.393133744458146 (3.21427e-05% change) linmin: converged after 6 iterations. - iteration 855: trace = 2.394010463856044 (0.000774656% change) - linmin: converged after 5 iterations. - iteration 856: trace = 2.393999549743469 (0.000455893% change) + iteration 1061: trace = 2.393133037506709 (2.95408e-05% change) linmin: converged after 5 iterations. - iteration 857: trace = 2.393987397629052 (0.000507609% change) - linmin: converged after 5 iterations. - iteration 858: trace = 2.393979059743142 (0.000348285% change) + iteration 1062: trace = 2.393132486541787 (2.30227e-05% change) + large trace change predicted (5.82835e-05%) + linmin: converged after 4 iterations. + iteration 1063: trace = 2.393131091753891 (5.8283e-05% change) linmin: converged after 5 iterations. - iteration 859: trace = 2.393969684977145 (0.000391598% change) + iteration 1064: trace = 2.393130719103385 (1.55717e-05% change) + large trace change predicted (5.02028e-05%) + linmin: converged after 4 iterations. + iteration 1065: trace = 2.39312951768247 (5.02029e-05% change) + linmin: converged after 4 iterations. + iteration 1066: trace = 2.393129000132578 (2.16265e-05% change) + large trace change predicted (6.03643e-05%) + linmin: converged after 4 iterations. + iteration 1067: trace = 2.393127555476726 (6.03668e-05% change) linmin: converged after 5 iterations. - iteration 860: trace = 2.393956602342794 (0.000546484% change) + iteration 1068: trace = 2.39312675059081 (3.36332e-05% change) + linmin: converged after 4 iterations. + iteration 1069: trace = 2.393126345057142 (1.69458e-05% change) + large trace change predicted (4.17659e-05%) + linmin: converged after 7 iterations. + iteration 1070: trace = 2.393125345454673 (4.17697e-05% change) linmin: converged after 6 iterations. - iteration 861: trace = 2.393953517956382 (0.000128841% change) - large trace change predicted (0.000386561%) - linmin: converged after 3 iterations. - iteration 862: trace = 2.393944264918082 (0.000386518% change) - linmin: converged after 5 iterations. - iteration 863: trace = 2.393939947243642 (0.000180358% change) + iteration 1071: trace = 2.393125064142218 (1.1755e-05% change) + large trace change predicted (3.27392e-05%) linmin: converged after 6 iterations. - iteration 864: trace = 2.393935382371547 (0.000190685% change) - large trace change predicted (0.000410599%) + iteration 1072: trace = 2.39312428058545 (3.2742e-05% change) linmin: converged after 4 iterations. - iteration 865: trace = 2.393925554810664 (0.00041052% change) - linmin: converged after 3 iterations. - iteration 866: trace = 2.393921401819164 (0.000173481% change) - large trace change predicted (0.000897989%) - linmin: converged after 5 iterations. - iteration 867: trace = 2.393899912625584 (0.000897661% change) - linmin: converged after 5 iterations. - iteration 868: trace = 2.393883807713726 (0.00067275% change) + iteration 1073: trace = 2.393123875276232 (1.69364e-05% change) + linmin: converged after 4 iterations. + iteration 1074: trace = 2.39312343846894 (1.82526e-05% change) linmin: converged after 6 iterations. - iteration 869: trace = 2.393857993439342 (0.00107835% change) - linmin: converged after 3 iterations. - iteration 870: trace = 2.393835476789239 (0.000940605% change) + iteration 1075: trace = 2.393123141208742 (1.24214e-05% change) linmin: converged after 5 iterations. - iteration 871: trace = 2.393823449454628 (0.000502431% change) - linmin: converged after 5 iterations. - iteration 872: trace = 2.393808661256593 (0.000617767% change) - linmin: converged after 7 iterations. - iteration 873: trace = 2.39379907792828 (0.000400339% change) - linmin: converged after 7 iterations. - iteration 874: trace = 2.393796378856954 (0.000112753% change) - large trace change predicted (0.000250074%) + iteration 1076: trace = 2.393123003047227 (5.77327e-06% change) + large trace change predicted (1.45332e-05%) linmin: converged after 6 iterations. - iteration 875: trace = 2.393790392806315 (0.000250065% change) + iteration 1077: trace = 2.393122655241682 (1.45335e-05% change) linmin: converged after 5 iterations. - iteration 876: trace = 2.393788677586883 (7.16529e-05% change) - large trace change predicted (0.000176967%) + iteration 1078: trace = 2.393122397293634 (1.07787e-05% change) linmin: converged after 4 iterations. - iteration 877: trace = 2.393784441338881 (0.000176968% change) + iteration 1079: trace = 2.39312205764352 (1.41928e-05% change) + large trace change predicted (3.04766e-05%) + linmin: converged after 6 iterations. + iteration 1080: trace = 2.393121328247898 (3.04788e-05% change) linmin: converged after 4 iterations. - iteration 878: trace = 2.393781925185881 (0.000105112% change) - linmin: converged after 3 iterations. - iteration 879: trace = 2.393779396618886 (0.000105631% change) - linmin: converged after 9 iterations. - iteration 880: trace = 2.393775749376786 (0.000152363% change) + iteration 1081: trace = 2.393120958142415 (1.54654e-05% change) + large trace change predicted (6.36992e-05%) + linmin: converged after 6 iterations. + iteration 1082: trace = 2.393119433668176 (6.37024e-05% change) linmin: converged after 4 iterations. - iteration 881: trace = 2.393773369391051 (9.9424e-05% change) - linmin: converged after 8 iterations. - iteration 882: trace = 2.393771473512882 (7.92004e-05% change) - linmin: converged after 5 iterations. - iteration 883: trace = 2.393768005206534 (0.000144889% change) - linmin: converged after 5 iterations. - iteration 884: trace = 2.393766805203668 (5.01303e-05% change) - large trace change predicted (0.000131512%) - linmin: converged after 7 iterations. - iteration 885: trace = 2.393763657446417 (0.000131498% change) + iteration 1083: trace = 2.393118744990936 (2.87774e-05% change) + large trace change predicted (7.96537e-05%) + linmin: converged after 3 iterations. + iteration 1084: trace = 2.393116838733487 (7.96558e-05% change) linmin: converged after 4 iterations. - iteration 886: trace = 2.393762139110225 (6.34288e-05% change) - large trace change predicted (0.000188711%) + iteration 1085: trace = 2.393114665410798 (9.08156e-05% change) + linmin: converged after 12 iterations. + iteration 1086: trace = 2.393113836800813 (3.46248e-05% change) + large trace change predicted (9.34255e-05%) + linmin: converged after 10 iterations. + iteration 1087: trace = 2.39311160090626 (9.34304e-05% change) linmin: converged after 6 iterations. - iteration 887: trace = 2.393757622585064 (0.000188679% change) + iteration 1088: trace = 2.393111078233424 (2.18407e-05% change) + large trace change predicted (5.46242e-05%) linmin: converged after 5 iterations. - iteration 888: trace = 2.393755058787127 (0.000107104% change) - large trace change predicted (0.000235285%) + iteration 1089: trace = 2.393109771037268 (5.46233e-05% change) linmin: converged after 5 iterations. - iteration 889: trace = 2.393749428029932 (0.000235227% change) - large trace change predicted (0.000489323%) + iteration 1090: trace = 2.393109361594812 (1.71092e-05% change) + large trace change predicted (3.56106e-05%) linmin: converged after 5 iterations. - iteration 890: trace = 2.393737717294975 (0.000489223% change) - linmin: converged after 10 iterations. - iteration 891: trace = 2.393733905186699 (0.000159254% change) - large trace change predicted (0.000441211%) + iteration 1091: trace = 2.393108509385464 (3.5611e-05% change) linmin: converged after 5 iterations. - iteration 892: trace = 2.393723346536241 (0.000441096% change) + iteration 1092: trace = 2.393107625550505 (3.69325e-05% change) + linmin: converged after 4 iterations. + iteration 1093: trace = 2.393106969162389 (2.74283e-05% change) + linmin: converged after 4 iterations. + iteration 1094: trace = 2.393105885773006 (4.52713e-05% change) + linmin: converged after 12 iterations. + iteration 1095: trace = 2.393105630328614 (1.06742e-05% change) + linmin: converged after 4 iterations. + iteration 1096: trace = 2.3931051906372 (1.83733e-05% change) linmin: converged after 5 iterations. - iteration 893: trace = 2.393714695224546 (0.000361417% change) + iteration 1097: trace = 2.393104940907188 (1.04354e-05% change) linmin: converged after 5 iterations. - iteration 894: trace = 2.393709086918766 (0.000234293% change) + iteration 1098: trace = 2.393104478246838 (1.93331e-05% change) + large trace change predicted (3.99445e-05%) + linmin: converged after 17 iterations. + iteration 1099: trace = 2.393103522380833 (3.99425e-05% change) linmin: converged after 4 iterations. - iteration 895: trace = 2.393700296752916 (0.00036722% change) - linmin: converged after 5 iterations. - iteration 896: trace = 2.393697932823406 (9.87563e-05% change) + iteration 1100: trace = 2.393103115849315 (1.69876e-05% change) + large trace change predicted (7.34182e-05%) linmin: converged after 6 iterations. - iteration 897: trace = 2.39369457942503 (0.000140093% change) - linmin: converged after 5 iterations. - iteration 898: trace = 2.393691330580075 (0.000135725% change) - linmin: converged after 9 iterations. - iteration 899: trace = 2.393690362010347 (4.04634e-05% change) - large trace change predicted (9.00742e-05%) + iteration 1101: trace = 2.393101358966137 (7.34145e-05% change) + linmin: converged after 11 iterations. + iteration 1102: trace = 2.393100733200299 (2.61487e-05% change) + large trace change predicted (0.000108724%) + linmin: converged after 4 iterations. + iteration 1103: trace = 2.393098131375224 (0.000108722% change) linmin: converged after 5 iterations. - iteration 900: trace = 2.393688205903 (9.00747e-05% change) + iteration 1104: trace = 2.393096437378997 (7.07868e-05% change) + linmin: converged after 4 iterations. + iteration 1105: trace = 2.393094882092161 (6.49906e-05% change) linmin: converged after 4 iterations. - iteration 901: trace = 2.393687125237036 (4.51465e-05% change) + iteration 1106: trace = 2.393092503596297 (9.939e-05% change) linmin: converged after 6 iterations. - iteration 902: trace = 2.393686390307186 (3.07028e-05% change) - large trace change predicted (7.37474e-05%) + iteration 1107: trace = 2.393091937157569 (2.36697e-05% change) + large trace change predicted (4.93641e-05%) linmin: converged after 5 iterations. - iteration 903: trace = 2.393684624996794 (7.37486e-05% change) - linmin: converged after 8 iterations. - iteration 904: trace = 2.39368388729822 (3.08185e-05% change) - large trace change predicted (6.48271e-05%) + iteration 1108: trace = 2.393090755872632 (4.93623e-05% change) linmin: converged after 5 iterations. - iteration 905: trace = 2.393682335492059 (6.48292e-05% change) + iteration 1109: trace = 2.393090353737854 (1.6804e-05% change) linmin: converged after 4 iterations. - iteration 906: trace = 2.393681053304419 (5.35655e-05% change) - linmin: converged after 6 iterations. - iteration 907: trace = 2.393680125376674 (3.87657e-05% change) - large trace change predicted (0.000105541%) + iteration 1110: trace = 2.393089817249396 (2.24182e-05% change) + linmin: converged after 9 iterations. + iteration 1111: trace = 2.39308952090471 (1.23834e-05% change) linmin: converged after 7 iterations. - iteration 908: trace = 2.393677599055989 (0.000105541% change) + iteration 1112: trace = 2.393089368817342 (6.35527e-06% change) + large trace change predicted (1.79992e-05%) linmin: converged after 6 iterations. - iteration 909: trace = 2.393676660422464 (3.9213e-05% change) - resetting CG direction... - linmin: converged after 8 iterations. - iteration 910: trace = 2.393675256822327 (5.86379e-05% change) - linmin: converged after 8 iterations. - iteration 911: trace = 2.39367401860537 (5.17287e-05% change) - linmin: converged after 5 iterations. - iteration 912: trace = 2.393672036272664 (8.28155e-05% change) - linmin: converged after 4 iterations. - iteration 913: trace = 2.3936712218868 (3.40225e-05% change) - large trace change predicted (7.80272e-05%) - linmin: converged after 13 iterations. - iteration 914: trace = 2.393669354254907 (7.80238e-05% change) - linmin: converged after 7 iterations. - iteration 915: trace = 2.393667347968376 (8.38164e-05% change) - linmin: converged after 4 iterations. - iteration 916: trace = 2.393666027571924 (5.51621e-05% change) - large trace change predicted (0.000176944%) - linmin: converged after 3 iterations. - iteration 917: trace = 2.393661792224028 (0.00017694% change) - linmin: converged after 8 iterations. - iteration 918: trace = 2.393659977869249 (7.57983e-05% change) - large trace change predicted (0.000261705%) - linmin: converged after 4 iterations. - iteration 919: trace = 2.393653713153222 (0.000261722% change) - large trace change predicted (0.000525329%) - linmin: converged after 4 iterations. - iteration 920: trace = 2.393641139173828 (0.000525306% change) - linmin: converged after 5 iterations. - iteration 921: trace = 2.393637173281394 (0.000165685% change) - large trace change predicted (0.000587883%) - linmin: converged after 2 iterations. - iteration 922: trace = 2.393623101441448 (0.000587887% change) - linmin: converged after 5 iterations. - iteration 923: trace = 2.393617378110959 (0.000239108% change) + iteration 1113: trace = 2.393088938092061 (1.79987e-05% change) linmin: converged after 5 iterations. - iteration 924: trace = 2.393610570184294 (0.00028442% change) - linmin: converged after 2 iterations. - iteration 925: trace = 2.393606976367428 (0.000150142% change) + iteration 1114: trace = 2.393088744061744 (8.10794e-06% change) + large trace change predicted (3.67491e-05%) linmin: converged after 5 iterations. - iteration 926: trace = 2.393604915507091 (8.60986e-05% change) + iteration 1115: trace = 2.393087864641583 (3.67483e-05% change) + linmin: converged after 10 iterations. + iteration 1116: trace = 2.393086949397746 (3.82453e-05% change) linmin: converged after 5 iterations. - iteration 927: trace = 2.393602662574684 (9.4123e-05% change) + iteration 1117: trace = 2.393085545215258 (5.86766e-05% change) linmin: converged after 6 iterations. - iteration 928: trace = 2.393599526707307 (0.00013101% change) + iteration 1118: trace = 2.393083055480193 (0.000104039% change) linmin: converged after 5 iterations. - iteration 929: trace = 2.393598544621478 (4.10297e-05% change) - large trace change predicted (0.000228181%) - linmin: converged after 6 iterations. - iteration 930: trace = 2.393593082408059 (0.000228201% change) - linmin: converged after 4 iterations. - iteration 931: trace = 2.393590793397207 (9.56308e-05% change) - linmin: converged after 6 iterations. - iteration 932: trace = 2.39358866122074 (8.90786e-05% change) + iteration 1119: trace = 2.393081566956605 (6.22011e-05% change) + resetting CG direction... linmin: converged after 6 iterations. - iteration 933: trace = 2.393585957391196 (0.000112961% change) - linmin: converged after 11 iterations. - iteration 934: trace = 2.393584751895689 (5.03636e-05% change) - large trace change predicted (0.000126726%) - linmin: converged after 4 iterations. - iteration 935: trace = 2.393581718485331 (0.000126731% change) + iteration 1120: trace = 2.393080464443576 (4.60709e-05% change) + linmin: converged after 7 iterations. + iteration 1121: trace = 2.393079175507221 (5.3861e-05% change) linmin: converged after 4 iterations. - iteration 936: trace = 2.393577778260109 (0.000164616% change) + iteration 1122: trace = 2.393078377327726 (3.33537e-05% change) + linmin: converged after 5 iterations. + iteration 1123: trace = 2.393077785642283 (2.47249e-05% change) linmin: converged after 4 iterations. - iteration 937: trace = 2.393575002518244 (0.000115966% change) - large trace change predicted (0.000383097%) + iteration 1124: trace = 2.393076783065741 (4.18949e-05% change) + linmin: converged after 10 iterations. + iteration 1125: trace = 2.393076506170473 (1.15707e-05% change) + large trace change predicted (3.26731e-05%) linmin: converged after 4 iterations. - iteration 938: trace = 2.393565832420546 (0.000383114% change) - linmin: converged after 5 iterations. - iteration 939: trace = 2.393561807898419 (0.000168139% change) - large trace change predicted (0.000462652%) - linmin: converged after 6 iterations. - iteration 940: trace = 2.393550733222387 (0.000462687% change) - linmin: converged after 3 iterations. - iteration 941: trace = 2.393535304928824 (0.00064458% change) + iteration 1126: trace = 2.393075724267597 (3.26735e-05% change) + linmin: converged after 13 iterations. + iteration 1127: trace = 2.393075445369289 (1.16544e-05% change) linmin: converged after 5 iterations. - iteration 942: trace = 2.393531059929306 (0.000177353% change) - large trace change predicted (0.000688658%) - linmin: converged after 4 iterations. - iteration 943: trace = 2.393514572929078 (0.000688817% change) - linmin: converged after 7 iterations. - iteration 944: trace = 2.393511712295858 (0.000119516% change) - large trace change predicted (0.000310619%) - linmin: converged after 7 iterations. - iteration 945: trace = 2.393504277209264 (0.000310636% change) - linmin: converged after 3 iterations. - iteration 946: trace = 2.393499975791604 (0.000179712% change) - linmin: converged after 8 iterations. - iteration 947: trace = 2.393497853822178 (8.86555e-05% change) - linmin: converged after 9 iterations. - iteration 948: trace = 2.393493693150467 (0.000173832% change) + iteration 1128: trace = 2.393074965219722 (2.00641e-05% change) linmin: converged after 5 iterations. - iteration 949: trace = 2.393492334561417 (5.67618e-05% change) - large trace change predicted (0.000187199%) + iteration 1129: trace = 2.393074697509306 (1.11869e-05% change) linmin: converged after 5 iterations. - iteration 950: trace = 2.39348785414673 (0.000187192% change) + iteration 1130: trace = 2.393074317369623 (1.5885e-05% change) linmin: converged after 4 iterations. - iteration 951: trace = 2.39348587582906 (8.26542e-05% change) - large trace change predicted (0.000178629%) - linmin: converged after 7 iterations. - iteration 952: trace = 2.393481600247808 (0.000178634% change) + iteration 1131: trace = 2.393074105493591 (8.85372e-06% change) + linmin: converged after 2 iterations. + iteration 1132: trace = 2.3930739223411 (7.65344e-06% change) + large trace change predicted (1.59444e-05%) linmin: converged after 5 iterations. - iteration 953: trace = 2.39347692247818 (0.000195438% change) - linmin: converged after 11 iterations. - iteration 954: trace = 2.393473655133765 (0.00013651% change) - large trace change predicted (0.000313851%) - linmin: converged after 4 iterations. - iteration 955: trace = 2.393466142652732 (0.000313874% change) + iteration 1133: trace = 2.393073540788787 (1.5944e-05% change) + linmin: converged after 14 iterations. + iteration 1134: trace = 2.393073325588116 (8.99265e-06% change) + large trace change predicted (2.53174e-05%) linmin: converged after 4 iterations. - iteration 956: trace = 2.393463868046369 (9.5034e-05% change) - large trace change predicted (0.000418813%) + iteration 1135: trace = 2.393072719722562 (2.53175e-05% change) linmin: converged after 8 iterations. - iteration 957: trace = 2.393453843375263 (0.000418836% change) - linmin: converged after 5 iterations. - iteration 958: trace = 2.39344901599197 (0.000201691% change) - linmin: converged after 11 iterations. - iteration 959: trace = 2.393440729339197 (0.000346223% change) - linmin: converged after 2 iterations. - iteration 960: trace = 2.393428348372357 (0.000517289% change) - linmin: converged after 6 iterations. - iteration 961: trace = 2.393422316209366 (0.000252031% change) - large trace change predicted (0.000541434%) - linmin: converged after 5 iterations. - iteration 962: trace = 2.393409356283079 (0.000541482% change) + iteration 1136: trace = 2.393072312572475 (1.70137e-05% change) + large trace change predicted (4.12444e-05%) linmin: converged after 4 iterations. - iteration 963: trace = 2.393401263835993 (0.000338114% change) - linmin: converged after 5 iterations. - iteration 964: trace = 2.393394561352574 (0.00028004% change) + iteration 1137: trace = 2.393071325572475 (4.12441e-05% change) linmin: converged after 4 iterations. - iteration 965: trace = 2.393386505970443 (0.000336568% change) - linmin: converged after 6 iterations. - iteration 966: trace = 2.393385190822643 (5.49493e-05% change) - large trace change predicted (0.000118563%) - linmin: converged after 16 iterations. - iteration 967: trace = 2.393382353086626 (0.000118566% change) - linmin: converged after 5 iterations. - iteration 968: trace = 2.393381181893887 (4.89346e-05% change) - linmin: converged after 7 iterations. - iteration 969: trace = 2.3933805328801 (2.7117e-05% change) - large trace change predicted (0.000181798%) - linmin: converged after 8 iterations. - iteration 970: trace = 2.393376181817789 (0.000181796% change) - linmin: converged after 9 iterations. - iteration 971: trace = 2.393373223172943 (0.000123618% change) - large trace change predicted (0.000492744%) - linmin: converged after 2 iterations. - iteration 972: trace = 2.393361429904624 (0.000492748% change) - linmin: converged after 6 iterations. - iteration 973: trace = 2.393353646190783 (0.000325222% change) - linmin: converged after 2 iterations. - iteration 974: trace = 2.393347058955424 (0.000275231% change) - large trace change predicted (0.000950491%) - linmin: converged after 5 iterations. - iteration 975: trace = 2.393324316201265 (0.000950253% change) - linmin: converged after 5 iterations. - iteration 976: trace = 2.393304861281281 (0.000812886% change) - linmin: converged after 6 iterations. - iteration 977: trace = 2.393285512887282 (0.000808442% change) + iteration 1138: trace = 2.393070465928676 (3.59222e-05% change) + linmin: converged after 10 iterations. + iteration 1139: trace = 2.393069747874481 (3.00056e-05% change) linmin: converged after 7 iterations. - iteration 978: trace = 2.393257231805932 (0.00118169% change) + iteration 1140: trace = 2.393068575998942 (4.89696e-05% change) linmin: converged after 8 iterations. - iteration 979: trace = 2.393240470480591 (0.000700359% change) - resetting CG direction... - linmin: converged after 6 iterations. - iteration 980: trace = 2.393229675769142 (0.000451051% change) - linmin: converged after 2 iterations. - iteration 981: trace = 2.393213328298975 (0.000683074% change) - linmin: converged after 6 iterations. - iteration 982: trace = 2.393206244075379 (0.000296013% change) - linmin: converged after 12 iterations. - iteration 983: trace = 2.393195714076674 (0.000439996% change) + iteration 1141: trace = 2.393068268493541 (1.28498e-05% change) + large trace change predicted (3.23481e-05%) linmin: converged after 4 iterations. - iteration 984: trace = 2.393181283727592 (0.000602976% change) - linmin: converged after 5 iterations. - iteration 985: trace = 2.393178078158251 (0.000133946% change) - linmin: converged after 6 iterations. - iteration 986: trace = 2.393172412926989 (0.000236724% change) - linmin: converged after 9 iterations. - iteration 987: trace = 2.393168218120694 (0.000175282% change) - linmin: converged after 5 iterations. - iteration 988: trace = 2.393165802343699 (0.000100945% change) - linmin: converged after 5 iterations. - iteration 989: trace = 2.393163810951547 (8.32117e-05% change) + iteration 1142: trace = 2.393067494381428 (3.23481e-05% change) linmin: converged after 8 iterations. - iteration 990: trace = 2.393163372187489 (1.83341e-05% change) - linmin: converged after 4 iterations. - iteration 991: trace = 2.393162746304638 (2.6153e-05% change) - linmin: converged after 9 iterations. - iteration 992: trace = 2.393162189396757 (2.32708e-05% change) + iteration 1143: trace = 2.39306717303033 (1.34284e-05% change) linmin: converged after 8 iterations. - iteration 993: trace = 2.393161592991656 (2.49212e-05% change) - large trace change predicted (7.46428e-05%) - linmin: converged after 5 iterations. - iteration 994: trace = 2.393159806696539 (7.46417e-05% change) - linmin: converged after 6 iterations. - iteration 995: trace = 2.3931591415583 (2.77933e-05% change) - large trace change predicted (0.000156041%) - linmin: converged after 12 iterations. - iteration 996: trace = 2.393155407416231 (0.000156034% change) + iteration 1144: trace = 2.393066893337441 (1.16876e-05% change) + large trace change predicted (2.3649e-05%) linmin: converged after 5 iterations. - iteration 997: trace = 2.393152484432109 (0.000122139% change) - linmin: converged after 6 iterations. - iteration 998: trace = 2.393150548174597 (8.09083e-05% change) - large trace change predicted (0.00018734%) - linmin: converged after 6 iterations. - iteration 999: trace = 2.393146065288985 (0.000187322% change) - linmin: converged after 12 iterations. - iteration 1000: trace = 2.393144529208922 (6.41867e-05% change) + iteration 1145: trace = 2.393066327411936 (2.36485e-05% change) + linmin: converged after 11 iterations. + iteration 1146: trace = 2.393066197988535 (5.40827e-06% change) + large trace change predicted (1.53224e-05%) linmin: converged after 4 iterations. - iteration 1001: trace = 2.393141662350265 (0.000119795% change) + iteration 1147: trace = 2.393065831313625 (1.53224e-05% change) linmin: converged after 8 iterations. - iteration 1002: trace = 2.393138838538488 (0.000117996% change) - linmin: converged after 11 iterations. - iteration 1003: trace = 2.393137228755537 (6.72666e-05% change) + iteration 1148: trace = 2.393065642025522 (7.90986e-06% change) linmin: converged after 4 iterations. - iteration 1004: trace = 2.39313520329853 (8.46361e-05% change) - linmin: converged after 14 iterations. - iteration 1005: trace = 2.393133207704009 (8.33883e-05% change) + iteration 1149: trace = 2.393065497145805 (6.05415e-06% change) + linmin: converged after 4 iterations. + iteration 1150: trace = 2.393065230345092 (1.11489e-05% change) + linmin: converged after 13 iterations. + iteration 1151: trace = 2.393065076742808 (6.41864e-06% change) + linmin: converged after 5 iterations. + iteration 1152: trace = 2.393064788911049 (1.20277e-05% change) linmin: converged after 9 iterations. - iteration 1006: trace = 2.393132610543489 (2.49531e-05% change) - large trace change predicted (5.47737e-05%) - linmin: converged after 3 iterations. - iteration 1007: trace = 2.393131299809351 (5.47707e-05% change) - linmin: converged after 7 iterations. - iteration 1008: trace = 2.393130886426975 (1.72737e-05% change) + iteration 1153: trace = 2.393064470990208 (1.32851e-05% change) + linmin: converged after 6 iterations. + iteration 1154: trace = 2.393064290915786 (7.52485e-06% change) + large trace change predicted (1.57621e-05%) linmin: converged after 5 iterations. - iteration 1009: trace = 2.393130103895016 (3.26991e-05% change) + iteration 1155: trace = 2.393063913721289 (1.5762e-05% change) linmin: converged after 5 iterations. - iteration 1010: trace = 2.393129478933514 (2.61148e-05% change) + iteration 1156: trace = 2.393063714670644 (8.31782e-06% change) + large trace change predicted (1.75504e-05%) linmin: converged after 4 iterations. - iteration 1011: trace = 2.393129195091729 (1.18607e-05% change) - large trace change predicted (2.697e-05%) + iteration 1157: trace = 2.393063294679665 (1.75503e-05% change) linmin: converged after 4 iterations. - iteration 1012: trace = 2.393128549667149 (2.69699e-05% change) - linmin: converged after 4 iterations. - iteration 1013: trace = 2.393127567135252 (4.10564e-05% change) - linmin: converged after 4 iterations. - iteration 1014: trace = 2.393126731813706 (3.4905e-05% change) - large trace change predicted (0.000102834%) + iteration 1158: trace = 2.393062606904775 (2.87404e-05% change) + linmin: converged after 11 iterations. + iteration 1159: trace = 2.393062178160125 (1.79162e-05% change) linmin: converged after 4 iterations. - iteration 1015: trace = 2.39312427099151 (0.000102829% change) + iteration 1160: trace = 2.393061404707661 (3.23206e-05% change) linmin: converged after 5 iterations. - iteration 1016: trace = 2.393123346184447 (3.86443e-05% change) - large trace change predicted (9.30866e-05%) + iteration 1161: trace = 2.393061234494883 (7.11276e-06% change) + large trace change predicted (1.62112e-05%) + linmin: converged after 12 iterations. + iteration 1162: trace = 2.393060846558603 (1.62109e-05% change) linmin: converged after 4 iterations. - iteration 1017: trace = 2.393121118598962 (9.30828e-05% change) - linmin: converged after 6 iterations. - iteration 1018: trace = 2.39311856829342 (0.000106568% change) - linmin: converged after 2 iterations. - iteration 1019: trace = 2.393117514873111 (4.40187e-05% change) - large trace change predicted (0.000109838%) - linmin: converged after 10 iterations. - iteration 1020: trace = 2.393114886671852 (0.000109823% change) - linmin: converged after 2 iterations. - iteration 1021: trace = 2.393114448232042 (1.83209e-05% change) - large trace change predicted (5.39211e-05%) + iteration 1163: trace = 2.393060766283693 (3.35449e-06% change) + linmin: converged after 17 iterations. + iteration 1164: trace = 2.393060634980593 (5.48683e-06% change) linmin: converged after 6 iterations. - iteration 1022: trace = 2.393113157892465 (5.39189e-05% change) + iteration 1165: trace = 2.393060562786436 (3.01681e-06% change) linmin: converged after 4 iterations. - iteration 1023: trace = 2.393112739277629 (1.74925e-05% change) - linmin: converged after 10 iterations. - iteration 1024: trace = 2.393112439682988 (1.2519e-05% change) + iteration 1166: trace = 2.393060500366976 (2.60835e-06% change) linmin: converged after 4 iterations. - iteration 1025: trace = 2.393111959127437 (2.00808e-05% change) + iteration 1167: trace = 2.393060450041182 (2.10299e-06% change) + linmin: converged after 7 iterations. + iteration 1168: trace = 2.393060412351759 (1.57495e-06% change) + large trace change predicted (3.20186e-06%) linmin: converged after 4 iterations. - iteration 1026: trace = 2.393111692572611 (1.11384e-05% change) - linmin: converged after 6 iterations. - iteration 1027: trace = 2.39311118731892 (2.11128e-05% change) - linmin: converged after 12 iterations. - iteration 1028: trace = 2.393110553335849 (2.6492e-05% change) - linmin: converged after 6 iterations. - iteration 1029: trace = 2.393110302941346 (1.04631e-05% change) - large trace change predicted (2.87393e-05%) + iteration 1169: trace = 2.393060335729805 (3.20184e-06% change) linmin: converged after 4 iterations. - iteration 1030: trace = 2.39310961519759 (2.87385e-05% change) + iteration 1170: trace = 2.393060274834127 (2.54468e-06% change) + large trace change predicted (6.20704e-06%) linmin: converged after 4 iterations. - iteration 1031: trace = 2.393109367328365 (1.03576e-05% change) - linmin: converged after 7 iterations. - iteration 1032: trace = 2.393109101909643 (1.1091e-05% change) - large trace change predicted (2.41367e-05%) + iteration 1171: trace = 2.393060126295515 (6.20706e-06% change) + linmin: converged after 11 iterations. + iteration 1172: trace = 2.393060015459683 (4.63155e-06% change) + large trace change predicted (1.88855e-05%) + linmin: converged after 5 iterations. + iteration 1173: trace = 2.393059563526805 (1.88851e-05% change) + linmin: converged after 5 iterations. + iteration 1174: trace = 2.393059436712853 (5.29924e-06% change) + large trace change predicted (1.95796e-05%) + linmin: converged after 5 iterations. + iteration 1175: trace = 2.393058968174762 (1.9579e-05% change) + linmin: converged after 9 iterations. + iteration 1176: trace = 2.393058792352781 (7.34716e-06% change) linmin: converged after 4 iterations. - iteration 1033: trace = 2.393108524310404 (2.41359e-05% change) + iteration 1177: trace = 2.393058540884814 (1.05082e-05% change) linmin: converged after 4 iterations. - iteration 1034: trace = 2.393108349375666 (7.30994e-06% change) - large trace change predicted (4.05937e-05%) - linmin: converged after 12 iterations. - iteration 1035: trace = 2.393107377921311 (4.05938e-05% change) - linmin: converged after 6 iterations. - iteration 1036: trace = 2.393106544994858 (3.48052e-05% change) - linmin: converged after 8 iterations. - iteration 1037: trace = 2.393105312093327 (5.15189e-05% change) - linmin: converged after 6 iterations. - iteration 1038: trace = 2.39310418081785 (4.72723e-05% change) - linmin: converged after 16 iterations. - iteration 1039: trace = 2.393103625918671 (2.31874e-05% change) + iteration 1178: trace = 2.393058362961721 (7.43497e-06% change) + linmin: converged after 18 iterations. + iteration 1179: trace = 2.393058302783014 (2.51472e-06% change) + large trace change predicted (8.88575e-06%) + linmin: converged after 15 iterations. + iteration 1180: trace = 2.393058090145141 (8.88561e-06% change) linmin: converged after 6 iterations. - iteration 1040: trace = 2.393102818169142 (3.37532e-05% change) - linmin: converged after 4 iterations. - iteration 1041: trace = 2.393102591058088 (9.49023e-06% change) - linmin: converged after 5 iterations. - iteration 1042: trace = 2.393102220825425 (1.54708e-05% change) + iteration 1181: trace = 2.393058020411769 (2.91399e-06% change) linmin: converged after 10 iterations. - iteration 1043: trace = 2.39310201524262 (8.59064e-06% change) - linmin: converged after 7 iterations. - iteration 1044: trace = 2.393101887595564 (5.33396e-06% change) + iteration 1182: trace = 2.393057937684116 (3.45698e-06% change) + linmin: converged after 11 iterations. + iteration 1183: trace = 2.393057844804519 (3.88121e-06% change) linmin: converged after 4 iterations. - iteration 1045: trace = 2.393101742967519 (6.04354e-06% change) + iteration 1184: trace = 2.393057808684955 (1.50935e-06% change) + large trace change predicted (3.20045e-06%) + linmin: converged after 7 iterations. + iteration 1185: trace = 2.393057732095484 (3.20049e-06% change) linmin: converged after 4 iterations. - iteration 1046: trace = 2.393101662070973 (3.38041e-06% change) - linmin: converged after 13 iterations. - iteration 1047: trace = 2.393101511426409 (6.29495e-06% change) + iteration 1186: trace = 2.393057647354795 (3.54111e-06% change) linmin: converged after 4 iterations. - iteration 1048: trace = 2.393101376643174 (5.63216e-06% change) + iteration 1187: trace = 2.393057620636756 (1.11648e-06% change) + large trace change predicted (3.34899e-06%) linmin: converged after 4 iterations. - iteration 1049: trace = 2.393101226801514 (6.2614e-06% change) + iteration 1188: trace = 2.39305754049365 (3.34898e-06% change) + linmin: converged after 19 iterations. + iteration 1189: trace = 2.39305744028482 (4.18748e-06% change) resetting CG direction... + linmin: converged after 5 iterations. + iteration 1190: trace = 2.393057398031491 (1.76566e-06% change) linmin: converged after 4 iterations. - iteration 1050: trace = 2.39310112836271 (4.11344e-06% change) - linmin: converged after 4 iterations. - iteration 1051: trace = 2.393100994866044 (5.5784e-06% change) + iteration 1191: trace = 2.393057360031536 (1.58792e-06% change) linmin: converged after 4 iterations. - iteration 1052: trace = 2.39310081613479 (7.46861e-06% change) + iteration 1192: trace = 2.393057312616043 (1.98138e-06% change) linmin: converged after 4 iterations. - iteration 1053: trace = 2.393100753023583 (2.63721e-06% change) - large trace change predicted (6.22506e-06%) - linmin: converged after 6 iterations. - iteration 1054: trace = 2.393100604051623 (6.22506e-06% change) - linmin: converged after 22 iterations. - iteration 1055: trace = 2.393100417964137 (7.776e-06% change) + iteration 1193: trace = 2.393057265185247 (1.98202e-06% change) + large trace change predicted (4.34555e-06%) + linmin: converged after 5 iterations. + iteration 1194: trace = 2.393057161195383 (4.34548e-06% change) + linmin: converged after 17 iterations. + iteration 1195: trace = 2.393057132565973 (1.19635e-06% change) + large trace change predicted (4.02251e-06%) linmin: converged after 6 iterations. - iteration 1056: trace = 2.393100307822921 (4.60245e-06% change) - large trace change predicted (1.56514e-05%) - linmin: converged after 4 iterations. - iteration 1057: trace = 2.393099933284774 (1.56508e-05% change) - linmin: converged after 4 iterations. - iteration 1058: trace = 2.393099811867278 (5.07365e-06% change) - large trace change predicted (3.74113e-05%) + iteration 1196: trace = 2.393057036306153 (4.02246e-06% change) linmin: converged after 6 iterations. - iteration 1059: trace = 2.393098916623484 (3.74094e-05% change) - linmin: converged after 5 iterations. - iteration 1060: trace = 2.393098356388159 (2.34105e-05% change) - linmin: converged after 12 iterations. - iteration 1061: trace = 2.393097485111014 (3.64079e-05% change) - linmin: converged after 2 iterations. - iteration 1062: trace = 2.393096449267765 (4.32846e-05% change) - linmin: converged after 4 iterations. - iteration 1063: trace = 2.393096161268076 (1.20346e-05% change) - large trace change predicted (3.25804e-05%) + iteration 1197: trace = 2.393056991775557 (1.86082e-06% change) linmin: converged after 5 iterations. - iteration 1064: trace = 2.393095381571845 (3.25811e-05% change) + iteration 1198: trace = 2.393056939710992 (2.17565e-06% change) linmin: converged after 4 iterations. - iteration 1065: trace = 2.393095163875945 (9.09683e-06% change) + iteration 1199: trace = 2.393056842685762 (4.05445e-06% change) linmin: converged after 4 iterations. - iteration 1066: trace = 2.393094867597897 (1.23805e-05% change) - linmin: converged after 4 iterations. - iteration 1067: trace = 2.393094554655817 (1.30769e-05% change) - linmin: converged after 5 iterations. - iteration 1068: trace = 2.393094384542212 (7.10852e-06% change) - linmin: converged after 5 iterations. - iteration 1069: trace = 2.39309407001425 (1.31431e-05% change) - linmin: converged after 5 iterations. - iteration 1070: trace = 2.393093544973669 (2.19398e-05% change) - linmin: converged after 7 iterations. - iteration 1071: trace = 2.3930933717581 (7.23814e-06% change) - large trace change predicted (2.03637e-05%) + iteration 1200: trace = 2.393056795695226 (1.96362e-06% change) + large trace change predicted (7.67856e-06%) linmin: converged after 4 iterations. - iteration 1072: trace = 2.393092884426113 (2.03641e-05% change) + iteration 1201: trace = 2.393056611942647 (7.67857e-06% change) linmin: converged after 5 iterations. - iteration 1073: trace = 2.39309270613377 (7.45029e-06% change) - linmin: converged after 8 iterations. - iteration 1074: trace = 2.393092445736498 (1.08812e-05% change) + iteration 1202: trace = 2.393056470713625 (5.90162e-06% change) linmin: converged after 5 iterations. - iteration 1075: trace = 2.393092092814343 (1.47475e-05% change) + iteration 1203: trace = 2.393056305640416 (6.89801e-06% change) linmin: converged after 4 iterations. - iteration 1076: trace = 2.393091910411958 (7.62204e-06% change) - large trace change predicted (2.81377e-05%) - linmin: converged after 6 iterations. - iteration 1077: trace = 2.393091237038153 (2.81382e-05% change) - linmin: converged after 6 iterations. - iteration 1078: trace = 2.393090863867451 (1.55937e-05% change) - large trace change predicted (5.92594e-05%) - linmin: converged after 3 iterations. - iteration 1079: trace = 2.393089445617551 (5.92644e-05% change) + iteration 1204: trace = 2.393056047767156 (1.07759e-05% change) linmin: converged after 5 iterations. - iteration 1080: trace = 2.393088601198425 (3.52857e-05% change) + iteration 1205: trace = 2.393055957605283 (3.76765e-06% change) + large trace change predicted (1.02551e-05%) linmin: converged after 4 iterations. - iteration 1081: trace = 2.393087656900365 (3.94594e-05% change) - linmin: converged after 2 iterations. - iteration 1082: trace = 2.393086343648524 (5.48769e-05% change) + iteration 1206: trace = 2.393055712193926 (1.02551e-05% change) + linmin: converged after 10 iterations. + iteration 1207: trace = 2.393055426136614 (1.19536e-05% change) linmin: converged after 7 iterations. - iteration 1083: trace = 2.393085899772788 (1.85483e-05% change) - large trace change predicted (6.43883e-05%) - linmin: converged after 6 iterations. - iteration 1084: trace = 2.393084358843782 (6.43909e-05% change) - linmin: converged after 6 iterations. - iteration 1085: trace = 2.393084088825352 (1.12833e-05% change) - large trace change predicted (2.65218e-05%) - linmin: converged after 4 iterations. - iteration 1086: trace = 2.393083454134272 (2.65219e-05% change) - linmin: converged after 5 iterations. - iteration 1087: trace = 2.393083083349222 (1.5494e-05% change) - linmin: converged after 5 iterations. - iteration 1088: trace = 2.393082944869308 (5.78667e-06% change) - large trace change predicted (1.38278e-05%) - linmin: converged after 4 iterations. - iteration 1089: trace = 2.393082613949314 (1.38282e-05% change) + iteration 1208: trace = 2.393055342952692 (3.47606e-06% change) + large trace change predicted (9.11094e-06%) + linmin: converged after 7 iterations. + iteration 1209: trace = 2.393055124920859 (9.11102e-06% change) linmin: converged after 4 iterations. - iteration 1090: trace = 2.393082501702558 (4.69047e-06% change) - large trace change predicted (1.70856e-05%) + iteration 1210: trace = 2.393055089268176 (1.48984e-06% change) + large trace change predicted (3.79154e-06%) + linmin: converged after 7 iterations. + iteration 1211: trace = 2.393054998533251 (3.79159e-06% change) linmin: converged after 4 iterations. - iteration 1091: trace = 2.393082092816134 (1.70862e-05% change) + iteration 1212: trace = 2.393054969982838 (1.19305e-06% change) linmin: converged after 4 iterations. - iteration 1092: trace = 2.393081911922593 (7.55902e-06% change) - large trace change predicted (1.66515e-05%) - linmin: converged after 5 iterations. - iteration 1093: trace = 2.393081513423216 (1.66521e-05% change) + iteration 1213: trace = 2.393054934568206 (1.47989e-06% change) + large trace change predicted (3.56045e-06%) linmin: converged after 4 iterations. - iteration 1094: trace = 2.393081073514513 (1.83825e-05% change) - linmin: converged after 9 iterations. - iteration 1095: trace = 2.393080712540959 (1.50841e-05% change) - large trace change predicted (3.16772e-05%) - linmin: converged after 5 iterations. - iteration 1096: trace = 2.393079954486825 (3.16769e-05% change) - linmin: converged after 14 iterations. - iteration 1097: trace = 2.393079637526969 (1.32449e-05% change) - large trace change predicted (4.80173e-05%) + iteration 1214: trace = 2.393054849364064 (3.56048e-06% change) linmin: converged after 7 iterations. - iteration 1098: trace = 2.393078488439423 (4.80171e-05% change) + iteration 1215: trace = 2.393054822786405 (1.11062e-06% change) + large trace change predicted (6.53617e-06%) + linmin: converged after 9 iterations. + iteration 1216: trace = 2.393054666370091 (6.53626e-06% change) + linmin: converged after 3 iterations. + iteration 1217: trace = 2.393054616210694 (2.09604e-06% change) + large trace change predicted (5.32641e-06%) + linmin: converged after 12 iterations. + iteration 1218: trace = 2.393054488745662 (5.32646e-06% change) linmin: converged after 5 iterations. - iteration 1099: trace = 2.393078107331678 (1.59254e-05% change) - large trace change predicted (4.15036e-05%) - linmin: converged after 4 iterations. - iteration 1100: trace = 2.393077114143851 (4.15025e-05% change) - linmin: converged after 8 iterations. - iteration 1101: trace = 2.393076413745305 (2.92677e-05% change) - linmin: converged after 6 iterations. - iteration 1102: trace = 2.393075444196486 (4.05148e-05% change) - linmin: converged after 2 iterations. - iteration 1103: trace = 2.393073990404941 (6.07499e-05% change) + iteration 1219: trace = 2.393054365627276 (5.14482e-06% change) + linmin: converged after 12 iterations. + iteration 1220: trace = 2.393054288001495 (3.2438e-06% change) + large trace change predicted (7.85394e-06%) linmin: converged after 6 iterations. - iteration 1104: trace = 2.393073504941876 (2.02862e-05% change) - large trace change predicted (5.45688e-05%) - linmin: converged after 5 iterations. - iteration 1105: trace = 2.393072199021882 (5.45708e-05% change) - linmin: converged after 5 iterations. - iteration 1106: trace = 2.393071953318385 (1.02673e-05% change) - linmin: converged after 5 iterations. - iteration 1107: trace = 2.393071470072697 (2.01935e-05% change) - linmin: converged after 4 iterations. - iteration 1108: trace = 2.393071319652051 (6.28567e-06% change) - linmin: converged after 5 iterations. - iteration 1109: trace = 2.393071198125446 (5.07827e-06% change) - linmin: converged after 9 iterations. - iteration 1110: trace = 2.393070965954303 (9.70181e-06% change) + iteration 1221: trace = 2.393054100051123 (7.854e-06% change) linmin: converged after 5 iterations. - iteration 1111: trace = 2.393070889654453 (3.18837e-06% change) - large trace change predicted (2.22932e-05%) + iteration 1222: trace = 2.393054002672403 (4.06922e-06% change) + large trace change predicted (1.12528e-05%) linmin: converged after 4 iterations. - iteration 1112: trace = 2.393070356181004 (2.22924e-05% change) + iteration 1223: trace = 2.393053733391082 (1.12526e-05% change) linmin: converged after 7 iterations. - iteration 1113: trace = 2.393069968449168 (1.62023e-05% change) + iteration 1224: trace = 2.393053372291646 (1.50895e-05% change) linmin: converged after 6 iterations. - iteration 1114: trace = 2.393069202793356 (3.19947e-05% change) - linmin: converged after 5 iterations. - iteration 1115: trace = 2.393068301127172 (3.76782e-05% change) - linmin: converged after 13 iterations. - iteration 1116: trace = 2.393067722048569 (2.41982e-05% change) - large trace change predicted (9.19829e-05%) - linmin: converged after 4 iterations. - iteration 1117: trace = 2.393065520867552 (9.19816e-05% change) - linmin: converged after 5 iterations. - iteration 1118: trace = 2.393064689941259 (3.47223e-05% change) - large trace change predicted (9.60855e-05%) - linmin: converged after 4 iterations. - iteration 1119: trace = 2.393062390556415 (9.60854e-05% change) - resetting CG direction... - linmin: converged after 5 iterations. - iteration 1120: trace = 2.393061907647628 (2.01795e-05% change) - linmin: converged after 5 iterations. - iteration 1121: trace = 2.393061048252754 (3.59119e-05% change) + iteration 1225: trace = 2.39305317834076 (8.10475e-06% change) + large trace change predicted (1.99853e-05%) linmin: converged after 14 iterations. - iteration 1122: trace = 2.393059872855201 (4.91169e-05% change) - linmin: converged after 4 iterations. - iteration 1123: trace = 2.393059320051554 (2.31003e-05% change) + iteration 1226: trace = 2.393052700078226 (1.99855e-05% change) linmin: converged after 5 iterations. - iteration 1124: trace = 2.393058266865268 (4.401e-05% change) - linmin: converged after 3 iterations. - iteration 1125: trace = 2.393057894337316 (1.5567e-05% change) - linmin: converged after 12 iterations. - iteration 1126: trace = 2.393057397209215 (2.07738e-05% change) - linmin: converged after 9 iterations. - iteration 1127: trace = 2.393056929408738 (1.95482e-05% change) + iteration 1227: trace = 2.393052524042276 (7.35613e-06% change) + linmin: converged after 5 iterations. + iteration 1228: trace = 2.393052268156215 (1.06929e-05% change) linmin: converged after 8 iterations. - iteration 1128: trace = 2.393056793196666 (5.69197e-06% change) - linmin: converged after 7 iterations. - iteration 1129: trace = 2.393056636330743 (6.55504e-06% change) - linmin: converged after 6 iterations. - iteration 1130: trace = 2.393056577282556 (2.46748e-06% change) - linmin: converged after 9 iterations. - iteration 1131: trace = 2.393056481197897 (4.01514e-06% change) - linmin: converged after 3 iterations. - iteration 1132: trace = 2.393056313970586 (6.98802e-06% change) + iteration 1229: trace = 2.393052084932638 (7.65648e-06% change) linmin: converged after 5 iterations. - iteration 1133: trace = 2.393056213978011 (4.17845e-06% change) - large trace change predicted (9.53275e-06%) - linmin: converged after 16 iterations. - iteration 1134: trace = 2.393055985856769 (9.53263e-06% change) + iteration 1230: trace = 2.393052000073165 (3.54608e-06% change) + linmin: converged after 10 iterations. + iteration 1231: trace = 2.39305183981923 (6.69663e-06% change) + linmin: converged after 5 iterations. + iteration 1232: trace = 2.39305181363604 (1.09413e-06% change) + large trace change predicted (3.71739e-06%) linmin: converged after 6 iterations. - iteration 1135: trace = 2.393055885516753 (4.19297e-06% change) - large trace change predicted (1.62786e-05%) - linmin: converged after 4 iterations. - iteration 1136: trace = 2.393055495972824 (1.62781e-05% change) - linmin: converged after 4 iterations. - iteration 1137: trace = 2.393055147975143 (1.4542e-05% change) + iteration 1233: trace = 2.393051724675995 (3.71743e-06% change) linmin: converged after 9 iterations. - iteration 1138: trace = 2.393054722299685 (1.7788e-05% change) + iteration 1234: trace = 2.393051668374683 (2.3527e-06% change) + linmin: converged after 7 iterations. + iteration 1235: trace = 2.393051610549465 (2.41638e-06% change) + large trace change predicted (7.64794e-06%) linmin: converged after 7 iterations. - iteration 1139: trace = 2.393053983487088 (3.08732e-05% change) + iteration 1236: trace = 2.393051427528269 (7.64803e-06% change) + linmin: converged after 7 iterations. + iteration 1237: trace = 2.393051355996488 (2.98915e-06% change) + large trace change predicted (1.86458e-05%) linmin: converged after 6 iterations. - iteration 1140: trace = 2.393053620070797 (1.51863e-05% change) + iteration 1238: trace = 2.393050909794259 (1.86457e-05% change) linmin: converged after 4 iterations. - iteration 1141: trace = 2.393052957426222 (2.76903e-05% change) - linmin: converged after 8 iterations. - iteration 1142: trace = 2.393052809805668 (6.16871e-06% change) - linmin: converged after 6 iterations. - iteration 1143: trace = 2.39305254720378 (1.09735e-05% change) - linmin: converged after 12 iterations. - iteration 1144: trace = 2.393052428393714 (4.96479e-06% change) - linmin: converged after 7 iterations. - iteration 1145: trace = 2.393052292326862 (5.68591e-06% change) - linmin: converged after 21 iterations. - iteration 1146: trace = 2.393052178997177 (4.73578e-06% change) + iteration 1239: trace = 2.393050749005595 (6.71898e-06% change) + large trace change predicted (2.16682e-05%) + linmin: converged after 2 iterations. + iteration 1240: trace = 2.393050230472001 (2.16683e-05% change) linmin: converged after 5 iterations. - iteration 1147: trace = 2.393052085976461 (3.88712e-06% change) - linmin: converged after 15 iterations. - iteration 1148: trace = 2.393051973227678 (4.71151e-06% change) + iteration 1241: trace = 2.393049878082956 (1.47255e-05% change) linmin: converged after 18 iterations. - iteration 1149: trace = 2.393051919144841 (2.25999e-06% change) - linmin: converged after 4 iterations. - iteration 1150: trace = 2.393051817817489 (4.23423e-06% change) - linmin: converged after 16 iterations. - iteration 1151: trace = 2.393051757785931 (2.50858e-06% change) + iteration 1242: trace = 2.39304969421892 (7.68325e-06% change) + large trace change predicted (1.98444e-05%) linmin: converged after 4 iterations. - iteration 1152: trace = 2.393051650474429 (4.4843e-06% change) - linmin: converged after 9 iterations. - iteration 1153: trace = 2.393051547210451 (4.31516e-06% change) - linmin: converged after 4 iterations. - iteration 1154: trace = 2.393051497212539 (2.0893e-06% change) - large trace change predicted (8.09282e-06%) - linmin: converged after 4 iterations. - iteration 1155: trace = 2.393051303548169 (8.09278e-06% change) - linmin: converged after 4 iterations. - iteration 1156: trace = 2.393051246490884 (2.38429e-06% change) - large trace change predicted (1.28021e-05%) - linmin: converged after 4 iterations. - iteration 1157: trace = 2.393050940136558 (1.28018e-05% change) - linmin: converged after 5 iterations. - iteration 1158: trace = 2.393050633913529 (1.27963e-05% change) - linmin: converged after 5 iterations. - iteration 1159: trace = 2.393050426135584 (8.68256e-06% change) - linmin: converged after 4 iterations. - iteration 1160: trace = 2.393050014770256 (1.719e-05% change) - linmin: converged after 4 iterations. - iteration 1161: trace = 2.393049863877453 (6.30546e-06% change) - linmin: converged after 3 iterations. - iteration 1162: trace = 2.393049672894141 (7.98075e-06% change) - linmin: converged after 4 iterations. - iteration 1163: trace = 2.393049558484056 (4.78093e-06% change) - linmin: converged after 10 iterations. - iteration 1164: trace = 2.393049526234221 (1.34765e-06% change) - large trace change predicted (2.74476e-06%) - linmin: converged after 4 iterations. - iteration 1165: trace = 2.393049460550655 (2.74476e-06% change) - linmin: converged after 4 iterations. - iteration 1166: trace = 2.393049390118983 (2.94318e-06% change) - linmin: converged after 4 iterations. - iteration 1167: trace = 2.393049363325281 (1.11965e-06% change) - large trace change predicted (4.35704e-06%) + iteration 1243: trace = 2.393049219327295 (1.98446e-05% change) + linmin: converged after 6 iterations. + iteration 1244: trace = 2.393049130360628 (3.71771e-06% change) + large trace change predicted (8.24199e-06%) linmin: converged after 7 iterations. - iteration 1168: trace = 2.393049259059905 (4.35701e-06% change) - linmin: converged after 4 iterations. - iteration 1169: trace = 2.393049230382702 (1.19835e-06% change) - large trace change predicted (3.16191e-06%) - linmin: converged after 4 iterations. - iteration 1170: trace = 2.393049154716225 (3.16193e-06% change) - linmin: converged after 4 iterations. - iteration 1171: trace = 2.393049072669999 (3.42852e-06% change) - linmin: converged after 5 iterations. - iteration 1172: trace = 2.39304903426945 (1.60467e-06% change) - large trace change predicted (4.05615e-06%) + iteration 1245: trace = 2.393048933124697 (8.24203e-06% change) + linmin: converged after 7 iterations. + iteration 1246: trace = 2.393048895052468 (1.59095e-06% change) linmin: converged after 4 iterations. - iteration 1173: trace = 2.393048937205764 (4.05607e-06% change) + iteration 1247: trace = 2.393048826419494 (2.86801e-06% change) + linmin: converged after 10 iterations. + iteration 1248: trace = 2.393048786547692 (1.66615e-06% change) linmin: converged after 5 iterations. - iteration 1174: trace = 2.393048855806208 (3.4015e-06% change) + iteration 1249: trace = 2.393048740051969 (1.94295e-06% change) linmin: converged after 4 iterations. - iteration 1175: trace = 2.393048800788928 (2.29905e-06% change) - large trace change predicted (4.81272e-06%) - linmin: converged after 3 iterations. - iteration 1176: trace = 2.393048685618508 (4.81271e-06% change) + iteration 1250: trace = 2.39304865797786 (3.42969e-06% change) + linmin: converged after 14 iterations. + iteration 1251: trace = 2.393048614631172 (1.81136e-06% change) + large trace change predicted (9.52417e-06%) + linmin: converged after 10 iterations. + iteration 1252: trace = 2.393048386717079 (9.52401e-06% change) linmin: converged after 4 iterations. - iteration 1177: trace = 2.393048647964936 (1.57346e-06% change) - large trace change predicted (7.01633e-06%) + iteration 1253: trace = 2.393048211901255 (7.30515e-06% change) linmin: converged after 7 iterations. - iteration 1178: trace = 2.393048480059437 (7.01638e-06% change) - linmin: converged after 4 iterations. - iteration 1179: trace = 2.393048398886548 (3.39203e-06% change) - linmin: converged after 4 iterations. - iteration 1180: trace = 2.393048327179467 (2.99647e-06% change) + iteration 1254: trace = 2.393048032714173 (7.48782e-06% change) linmin: converged after 5 iterations. - iteration 1181: trace = 2.393048187641832 (5.83096e-06% change) + iteration 1255: trace = 2.393047706843305 (1.36174e-05% change) + linmin: converged after 6 iterations. + iteration 1256: trace = 2.393047554515785 (6.36542e-06% change) linmin: converged after 4 iterations. - iteration 1182: trace = 2.393048155801966 (1.33052e-06% change) - large trace change predicted (2.89437e-06%) + iteration 1257: trace = 2.393047267027212 (1.20135e-05% change) + large trace change predicted (2.69359e-05%) + linmin: converged after 6 iterations. + iteration 1258: trace = 2.39304662243872 (2.69359e-05% change) linmin: converged after 4 iterations. - iteration 1183: trace = 2.393048086539163 (2.89433e-06% change) + iteration 1259: trace = 2.393046211992671 (1.71516e-05% change) + resetting CG direction... + linmin: converged after 10 iterations. + iteration 1260: trace = 2.393045867270925 (1.44051e-05% change) linmin: converged after 4 iterations. - iteration 1184: trace = 2.393048059027911 (1.14963e-06% change) + iteration 1261: trace = 2.393045471503727 (1.65382e-05% change) linmin: converged after 4 iterations. - iteration 1185: trace = 2.393048038484825 (8.58449e-07% change) + iteration 1262: trace = 2.393045202050308 (1.12599e-05% change) linmin: converged after 4 iterations. - iteration 1186: trace = 2.393048023757459 (6.15423e-07% change) + iteration 1263: trace = 2.393045071137946 (5.47053e-06% change) + linmin: converged after 8 iterations. + iteration 1264: trace = 2.393044865765643 (8.58205e-06% change) linmin: converged after 4 iterations. - iteration 1187: trace = 2.393048016414866 (3.0683e-07% change) - large trace change predicted (7.18518e-07%) + iteration 1265: trace = 2.393044727139754 (5.79287e-06% change) linmin: converged after 5 iterations. - iteration 1188: trace = 2.393047999219796 (7.18543e-07% change) + iteration 1266: trace = 2.39304465069372 (3.19451e-06% change) + linmin: converged after 8 iterations. + iteration 1267: trace = 2.393044507364336 (5.98942e-06% change) linmin: converged after 4 iterations. - iteration 1189: trace = 2.393047967625424 (1.32026e-06% change) - resetting CG direction... + iteration 1268: trace = 2.393044461988091 (1.89617e-06% change) + linmin: converged after 7 iterations. + iteration 1269: trace = 2.393044435086984 (1.12414e-06% change) + linmin: converged after 7 iterations. + iteration 1270: trace = 2.39304439329595 (1.74635e-06% change) linmin: converged after 4 iterations. - iteration 1190: trace = 2.393047947561436 (8.38428e-07% change) + iteration 1271: trace = 2.393044378104242 (6.34828e-07% change) + large trace change predicted (1.50636e-06%) linmin: converged after 4 iterations. - iteration 1191: trace = 2.393047923667888 (9.98457e-07% change) - linmin: converged after 8 iterations. - iteration 1192: trace = 2.393047916988678 (2.79109e-07% change) - linmin: converged after 5 iterations. - iteration 1193: trace = 2.393047904038039 (5.41178e-07% change) - large trace change predicted (1.17316e-06%) + iteration 1272: trace = 2.393044342056079 (1.50637e-06% change) linmin: converged after 4 iterations. - iteration 1194: trace = 2.393047875963763 (1.17316e-06% change) + iteration 1273: trace = 2.393044288572465 (2.23496e-06% change) linmin: converged after 4 iterations. - iteration 1195: trace = 2.393047864009566 (4.99539e-07% change) - large trace change predicted (2.01139e-06%) + iteration 1274: trace = 2.393044242568287 (1.92241e-06% change) + large trace change predicted (6.23266e-06%) linmin: converged after 4 iterations. - iteration 1196: trace = 2.393047815875889 (2.0114e-06% change) - linmin: converged after 9 iterations. - iteration 1197: trace = 2.393047748350392 (2.82174e-06% change) + iteration 1275: trace = 2.393044093419711 (6.23259e-06% change) linmin: converged after 4 iterations. - iteration 1198: trace = 2.393047695124176 (2.2242e-06% change) - large trace change predicted (5.32856e-06%) - linmin: converged after 7 iterations. - iteration 1199: trace = 2.393047567611163 (5.32848e-06% change) + iteration 1276: trace = 2.393044035190384 (2.43327e-06% change) + large trace change predicted (5.4692e-06%) linmin: converged after 7 iterations. - iteration 1200: trace = 2.393047498561061 (2.88545e-06% change) + iteration 1277: trace = 2.393043904310829 (5.46917e-06% change) linmin: converged after 4 iterations. - iteration 1201: trace = 2.393047415199051 (3.48351e-06% change) + iteration 1278: trace = 2.393043792765677 (4.66122e-06% change) linmin: converged after 4 iterations. - iteration 1202: trace = 2.393047295272089 (5.01147e-06% change) - linmin: converged after 13 iterations. - iteration 1203: trace = 2.393047271790389 (9.81247e-07% change) - large trace change predicted (4.26972e-06%) - linmin: converged after 4 iterations. - iteration 1204: trace = 2.393047169613124 (4.26976e-06% change) - linmin: converged after 3 iterations. - iteration 1205: trace = 2.393047101037706 (2.86561e-06% change) + iteration 1279: trace = 2.393043661312291 (5.49315e-06% change) + linmin: converged after 8 iterations. + iteration 1280: trace = 2.393043575787606 (3.57389e-06% change) linmin: converged after 4 iterations. - iteration 1206: trace = 2.393047070561835 (1.27352e-06% change) + iteration 1281: trace = 2.393043479365709 (4.02926e-06% change) linmin: converged after 4 iterations. - iteration 1207: trace = 2.393047014100219 (2.3594e-06% change) + iteration 1282: trace = 2.393043417504161 (2.58506e-06% change) + linmin: converged after 2 iterations. + iteration 1283: trace = 2.393043363275544 (2.26609e-06% change) linmin: converged after 7 iterations. - iteration 1208: trace = 2.393046964400122 (2.07685e-06% change) + iteration 1284: trace = 2.393043307654756 (2.32427e-06% change) linmin: converged after 4 iterations. - iteration 1209: trace = 2.393046922481839 (1.75167e-06% change) + iteration 1285: trace = 2.393043289508265 (7.58302e-07% change) + large trace change predicted (2.44688e-06%) + linmin: converged after 6 iterations. + iteration 1286: trace = 2.393043230953791 (2.44686e-06% change) + linmin: converged after 6 iterations. + iteration 1287: trace = 2.39304321149511 (8.13135e-07% change) + large trace change predicted (2.44592e-06%) linmin: converged after 4 iterations. - iteration 1210: trace = 2.393046855610147 (2.79442e-06% change) + iteration 1288: trace = 2.393043152963694 (2.4459e-06% change) linmin: converged after 10 iterations. - iteration 1211: trace = 2.393046822384393 (1.38843e-06% change) - linmin: converged after 12 iterations. - iteration 1212: trace = 2.393046777420315 (1.87895e-06% change) + iteration 1289: trace = 2.393043133790082 (8.01223e-07% change) linmin: converged after 4 iterations. - iteration 1213: trace = 2.3930467559094 (8.98892e-07% change) + iteration 1290: trace = 2.393043099295405 (1.44146e-06% change) linmin: converged after 4 iterations. - iteration 1214: trace = 2.393046714283628 (1.73945e-06% change) + iteration 1291: trace = 2.393043083880737 (6.44145e-07% change) + large trace change predicted (1.61886e-06%) linmin: converged after 4 iterations. - iteration 1215: trace = 2.393046647159569 (2.80496e-06% change) + iteration 1292: trace = 2.393043045141201 (1.61884e-06% change) linmin: converged after 4 iterations. - iteration 1216: trace = 2.393046618044147 (1.21667e-06% change) - large trace change predicted (5.04378e-06%) + iteration 1293: trace = 2.393043033015523 (5.06705e-07% change) + large trace change predicted (1.70718e-06%) linmin: converged after 4 iterations. - iteration 1217: trace = 2.393046497343111 (5.04382e-06% change) - linmin: converged after 7 iterations. - iteration 1218: trace = 2.393046441524758 (2.33252e-06% change) - large trace change predicted (6.59313e-06%) - linmin: converged after 12 iterations. - iteration 1219: trace = 2.393046283746031 (6.59322e-06% change) - linmin: converged after 4 iterations. - iteration 1220: trace = 2.393046073002106 (8.80651e-06% change) - linmin: converged after 5 iterations. - iteration 1221: trace = 2.393045965161225 (4.50643e-06% change) - large trace change predicted (9.36847e-06%) + iteration 1294: trace = 2.393042992162446 (1.70716e-06% change) linmin: converged after 4 iterations. - iteration 1222: trace = 2.393045740967892 (9.36853e-06% change) - linmin: converged after 8 iterations. - iteration 1223: trace = 2.393045694803439 (1.92911e-06% change) - large trace change predicted (4.34704e-06%) + iteration 1295: trace = 2.393042978897266 (5.54323e-07% change) + large trace change predicted (1.81172e-06%) + linmin: converged after 6 iterations. + iteration 1296: trace = 2.39304293554228 (1.81171e-06% change) linmin: converged after 4 iterations. - iteration 1224: trace = 2.393045590776737 (4.34704e-06% change) + iteration 1297: trace = 2.393042918532826 (7.10788e-07% change) + large trace change predicted (1.8089e-06%) linmin: converged after 4 iterations. - iteration 1225: trace = 2.393045530747066 (2.50851e-06% change) + iteration 1298: trace = 2.393042875245178 (1.8089e-06% change) linmin: converged after 7 iterations. - iteration 1226: trace = 2.393045508600661 (9.25449e-07% change) - large trace change predicted (2.14741e-06%) - linmin: converged after 3 iterations. - iteration 1227: trace = 2.393045457212558 (2.14739e-06% change) - linmin: converged after 5 iterations. - iteration 1228: trace = 2.393045420472612 (1.53528e-06% change) + iteration 1299: trace = 2.393042832115835 (1.80228e-06% change) linmin: converged after 4 iterations. - iteration 1229: trace = 2.393045381572905 (1.62553e-06% change) + iteration 1300: trace = 2.393042765204926 (2.79606e-06% change) + linmin: converged after 9 iterations. + iteration 1301: trace = 2.393042669631626 (3.9938e-06% change) + linmin: converged after 6 iterations. + iteration 1302: trace = 2.393042618947643 (2.11797e-06% change) + large trace change predicted (4.47467e-06%) linmin: converged after 4 iterations. - iteration 1230: trace = 2.393045325525357 (2.3421e-06% change) + iteration 1303: trace = 2.393042511869279 (4.47457e-06% change) linmin: converged after 4 iterations. - iteration 1231: trace = 2.393045305231889 (8.48019e-07% change) - large trace change predicted (2.99011e-06%) + iteration 1304: trace = 2.393042493178386 (7.81051e-07% change) + large trace change predicted (1.8961e-06%) + linmin: converged after 4 iterations. + iteration 1305: trace = 2.393042447804401 (1.89608e-06% change) + linmin: converged after 2 iterations. + iteration 1306: trace = 2.393042435319959 (5.21697e-07% change) + linmin: converged after 5 iterations. + iteration 1307: trace = 2.393042424166123 (4.66094e-07% change) linmin: converged after 4 iterations. - iteration 1232: trace = 2.393045233676639 (2.99013e-06% change) + iteration 1308: trace = 2.393042411674692 (5.2199e-07% change) linmin: converged after 4 iterations. - iteration 1233: trace = 2.393045206440279 (1.13815e-06% change) - large trace change predicted (2.46104e-06%) + iteration 1309: trace = 2.393042408881167 (1.16735e-07% change) + large trace change predicted (6.50426e-07%) + linmin: converged after 24 iterations. + iteration 1310: trace = 2.393042393316112 (6.5043e-07% change) linmin: converged after 5 iterations. - iteration 1234: trace = 2.393045147546375 (2.46104e-06% change) + iteration 1311: trace = 2.393042388833383 (1.87323e-07% change) + large trace change predicted (6.9175e-07%) linmin: converged after 4 iterations. - iteration 1235: trace = 2.393045048343727 (4.14546e-06% change) - linmin: converged after 7 iterations. - iteration 1236: trace = 2.393045015027994 (1.39219e-06% change) - large trace change predicted (8.42607e-06%) - linmin: converged after 17 iterations. - iteration 1237: trace = 2.393044813384 (8.42625e-06% change) - linmin: converged after 7 iterations. - iteration 1238: trace = 2.393044734446117 (3.29864e-06% change) - large trace change predicted (1.16298e-05%) + switching to approximate line minimization (decrease time by 97.3654%) + iteration 1312: trace = 2.393042372279756 (6.9174e-07% change) + iteration 1313: trace = 2.393042346501958 (1.0772e-06% change) + iteration 1314: trace = 2.393042333470182 (5.44569e-07% change) + iteration 1315: trace = 2.393042290093641 (1.81261e-06% change) + iteration 1316: trace = 2.393042276374412 (5.73297e-07% change) + iteration 1317: trace = 2.393042229128059 (1.97432e-06% change) + iteration 1318: trace = 2.393042208682693 (8.54367e-07% change) + iteration 1319: trace = 2.393042175622939 (1.38149e-06% change) + iteration 1320: trace = 2.393042137419695 (1.59643e-06% change) + iteration 1321: trace = 2.393042116109275 (8.90516e-07% change) + iteration 1322: trace = 2.393042088126565 (1.16934e-06% change) + iteration 1323: trace = 2.393042079438311 (3.63063e-07% change) + iteration 1324: trace = 2.393042050137401 (1.22442e-06% change) + iteration 1325: trace = 2.393042043727245 (2.67866e-07% change) + iteration 1326: trace = 2.393042029944468 (5.75952e-07% change) + iteration 1327: trace = 2.393042024438005 (2.30103e-07% change) + iteration 1328: trace = 2.39304201760495 (2.85538e-07% change) + iteration 1329: trace = 2.393042010869547 (2.81458e-07% change) + resetting CG direction... + iteration 1330: trace = 2.393042008343239 (1.05569e-07% change) + iteration 1331: trace = 2.39304200347432 (2.03461e-07% change) + iteration 1332: trace = 2.393041999602467 (1.61796e-07% change) + iteration 1333: trace = 2.393041991327473 (3.45794e-07% change) + iteration 1334: trace = 2.393041975567148 (6.5859e-07% change) + iteration 1335: trace = 2.393041965869711 (4.05235e-07% change) + iteration 1336: trace = 2.393041945465757 (8.52637e-07% change) + iteration 1337: trace = 2.393041903033345 (1.77316e-06% change) + iteration 1338: trace = 2.393041886318199 (6.98489e-07% change) + iteration 1339: trace = 2.393041843362829 (1.79501e-06% change) + iteration 1340: trace = 2.393041831439847 (4.98235e-07% change) + iteration 1341: trace = 2.393041804252684 (1.13609e-06% change) + iteration 1342: trace = 2.393041776525123 (1.15867e-06% change) + iteration 1343: trace = 2.393041762864951 (5.70829e-07% change) + iteration 1344: trace = 2.393041731677105 (1.30327e-06% change) + iteration 1345: trace = 2.393041704582354 (1.13223e-06% change) + iteration 1346: trace = 2.393041694073741 (4.39132e-07% change) + iteration 1347: trace = 2.393041680482848 (5.67934e-07% change) + iteration 1348: trace = 2.393041678009848 (1.03341e-07% change) + iteration 1349: trace = 2.393041671290566 (2.80784e-07% change) + iteration 1350: trace = 2.393041664349551 (2.9005e-07% change) + iteration 1351: trace = 2.393041660773451 (1.49437e-07% change) + iteration 1352: trace = 2.393041638080588 (9.48285e-07% change) + iteration 1353: trace = 2.393041620181167 (7.47978e-07% change) + iteration 1354: trace = 2.393041582311094 (1.58251e-06% change) + iteration 1355: trace = 2.393041516307072 (2.75816e-06% change) + iteration 1356: trace = 2.39304148849973 (1.16201e-06% change) + iteration 1357: trace = 2.393041445532766 (1.7955e-06% change) + iteration 1358: trace = 2.393041391053497 (2.27657e-06% change) + iteration 1359: trace = 2.39304137356162 (7.30948e-07% change) + iteration 1360: trace = 2.393041344062253 (1.23271e-06% change) + iteration 1361: trace = 2.393041335861087 (3.42709e-07% change) + iteration 1362: trace = 2.393041311573194 (1.01494e-06% change) + iteration 1363: trace = 2.39304130043627 (4.65388e-07% change) + iteration 1364: trace = 2.393041287423736 (5.43766e-07% change) + iteration 1365: trace = 2.393041269132129 (7.64367e-07% change) + iteration 1366: trace = 2.393041262348139 (2.83488e-07% change) + iteration 1367: trace = 2.393041236465742 (1.08157e-06% change) + iteration 1368: trace = 2.393041226492876 (4.16744e-07% change) + iteration 1369: trace = 2.393041198155283 (1.18417e-06% change) + iteration 1370: trace = 2.393041183523335 (6.11437e-07% change) + iteration 1371: trace = 2.393041170610296 (5.39608e-07% change) + iteration 1372: trace = 2.39304113946633 (1.30144e-06% change) + iteration 1373: trace = 2.393041114996305 (1.02255e-06% change) + iteration 1374: trace = 2.39304108431667 (1.28204e-06% change) + iteration 1375: trace = 2.393041023892839 (2.52498e-06% change) + iteration 1376: trace = 2.393041003005151 (8.72851e-07% change) + iteration 1377: trace = 2.393040953220808 (2.08038e-06% change) + iteration 1378: trace = 2.393040883365302 (2.91911e-06% change) + iteration 1379: trace = 2.39304086119733 (9.26352e-07% change) + iteration 1380: trace = 2.393040825335722 (1.49858e-06% change) + iteration 1381: trace = 2.393040812539746 (5.34716e-07% change) + iteration 1382: trace = 2.393040795129442 (7.27539e-07% change) + iteration 1383: trace = 2.393040784264272 (4.54032e-07% change) + iteration 1384: trace = 2.393040779459985 (2.00761e-07% change) + iteration 1385: trace = 2.393040769544118 (4.14363e-07% change) + iteration 1386: trace = 2.393040752651461 (7.05908e-07% change) + iteration 1387: trace = 2.393040745479084 (2.99718e-07% change) + iteration 1388: trace = 2.393040710476779 (1.46267e-06% change) + iteration 1389: trace = 2.393040698764543 (4.89429e-07% change) + iteration 1390: trace = 2.393040657391888 (1.72887e-06% change) + iteration 1391: trace = 2.393040623243549 (1.42699e-06% change) + iteration 1392: trace = 2.393040602062368 (8.85116e-07% change) + iteration 1393: trace = 2.393040541770514 (2.51947e-06% change) + iteration 1394: trace = 2.393040430104381 (4.66629e-06% change) + iteration 1395: trace = 2.393040267852611 (6.78015e-06% change) + iteration 1396: trace = 2.393040020203614 (1.03487e-05% change) + iteration 1397: trace = 2.393039920712817 (4.15751e-06% change) + iteration 1398: trace = 2.39303974546998 (7.32302e-06% change) + iteration 1399: trace = 2.393039679903401 (2.73989e-06% change) + resetting CG direction... + iteration 1400: trace = 2.393039650570816 (1.22575e-06% change) + iteration 1401: trace = 2.393039596566102 (2.25674e-06% change) + iteration 1402: trace = 2.393039577489724 (7.97161e-07% change) + iteration 1403: trace = 2.393039550861714 (1.11273e-06% change) + iteration 1404: trace = 2.393039532310136 (7.75231e-07% change) + iteration 1405: trace = 2.393039528803586 (1.46531e-07% change) + iteration 1406: trace = 2.393039525330028 (1.45153e-07% change) + iteration 1407: trace = 2.393039523447887 (7.86506e-08% change) + iteration 1408: trace = 2.393039520861113 (1.08096e-07% change) + iteration 1409: trace = 2.393039518132019 (1.14043e-07% change) + iteration 1410: trace = 2.393039516191209 (8.11023e-08% change) + iteration 1411: trace = 2.393039513256244 (1.22646e-07% change) + iteration 1412: trace = 2.393039512267547 (4.13155e-08% change) + iteration 1413: trace = 2.393039510986434 (5.3535e-08% change) + iteration 1414: trace = 2.393039509723756 (5.27646e-08% change) + iteration 1415: trace = 2.393039509238455 (2.02797e-08% change) + iteration 1416: trace = 2.393039507132757 (8.79926e-08% change) + iteration 1417: trace = 2.393039506458883 (2.81598e-08% change) + iteration 1418: trace = 2.393039502626988 (1.60127e-07% change) + iteration 1419: trace = 2.393039500308924 (9.68669e-08% change) + iteration 1420: trace = 2.393039497421342 (1.20666e-07% change) + iteration 1421: trace = 2.393039490987482 (2.68857e-07% change) + iteration 1422: trace = 2.393039489322372 (6.95814e-08% change) + iteration 1423: trace = 2.393039484847942 (1.86977e-07% change) + iteration 1424: trace = 2.393039483121526 (7.21432e-08% change) + iteration 1425: trace = 2.393039481641084 (6.18645e-08% change) + iteration 1426: trace = 2.393039480161411 (6.18324e-08% change) + iteration 1427: trace = 2.39303947965512 (2.11568e-08% change) + iteration 1428: trace = 2.3930394787916 (3.60847e-08% change) + iteration 1429: trace = 2.393039478138793 (2.72794e-08% change) + iteration 1430: trace = 2.3930394773956 (3.10564e-08% change) + iteration 1431: trace = 2.39303947678291 (2.5603e-08% change) + iteration 1432: trace = 2.393039476419849 (1.51715e-08% change) + iteration 1433: trace = 2.393039475919537 (2.09069e-08% change) + iteration 1434: trace = 2.393039475678093 (1.00895e-08% change) + iteration 1435: trace = 2.393039475194268 (2.0218e-08% change) + iteration 1436: trace = 2.393039474777464 (1.74173e-08% change) + iteration 1437: trace = 2.393039473925942 (3.55833e-08% change) + iteration 1438: trace = 2.393039472984771 (3.93295e-08% change) + iteration 1439: trace = 2.393039472337417 (2.70515e-08% change) + iteration 1440: trace = 2.393039470514441 (7.61783e-08% change) + iteration 1441: trace = 2.393039469528083 (4.12178e-08% change) + iteration 1442: trace = 2.393039467660411 (7.8046e-08% change) + iteration 1443: trace = 2.393039465551583 (8.81234e-08% change) + iteration 1444: trace = 2.393039463990696 (6.52261e-08% change) + iteration 1445: trace = 2.393039462322139 (6.97255e-08% change) + iteration 1446: trace = 2.393039461749314 (2.39371e-08% change) + iteration 1447: trace = 2.39303946094793 (3.34882e-08% change) + iteration 1448: trace = 2.393039460732564 (8.99965e-09% change) + iteration 1449: trace = 2.39303946048949 (1.01576e-08% change) + iteration 1450: trace = 2.393039460300222 (7.90909e-09% change) + iteration 1451: trace = 2.393039460195638 (4.37034e-09% change) + iteration 1452: trace = 2.393039459960351 (9.83215e-09% change) + iteration 1453: trace = 2.393039459886699 (3.07775e-09% change) + iteration 1454: trace = 2.393039459460898 (1.77933e-08% change) + iteration 1455: trace = 2.393039459336239 (5.20923e-09% change) + iteration 1456: trace = 2.39303945903986 (1.23851e-08% change) + iteration 1457: trace = 2.393039458669269 (1.54862e-08% change) + iteration 1458: trace = 2.393039458523099 (6.10812e-09% change) + iteration 1459: trace = 2.393039458246121 (1.15743e-08% change) + iteration 1460: trace = 2.393039458176704 (2.90082e-09% change) + iteration 1461: trace = 2.393039457860942 (1.3195e-08% change) + iteration 1462: trace = 2.393039457746842 (4.76797e-09% change) + iteration 1463: trace = 2.39303945753538 (8.83656e-09% change) + iteration 1464: trace = 2.393039457257767 (1.16008e-08% change) + iteration 1465: trace = 2.39303945715351 (4.35668e-09% change) + iteration 1466: trace = 2.393039456914278 (9.99698e-09% change) + iteration 1467: trace = 2.393039456868668 (1.90595e-09% change) + iteration 1468: trace = 2.393039456756493 (4.68756e-09% change) + iteration 1469: trace = 2.393039456728149 (1.18445e-09% change) + resetting CG direction... + iteration 1470: trace = 2.393039456713801 (5.99557e-10% change) + iteration 1471: trace = 2.393039456679705 (1.42479e-09% change) + iteration 1472: trace = 2.393039456655232 (1.02267e-09% change) + iteration 1473: trace = 2.39303945662231 (1.37574e-09% change) + iteration 1474: trace = 2.393039456555723 (2.78254e-09% change) + iteration 1475: trace = 2.393039456524998 (1.28394e-09% change) + iteration 1476: trace = 2.393039456433171 (3.83725e-09% change) + iteration 1477: trace = 2.393039456333533 (4.16364e-09% change) + iteration 1478: trace = 2.393039456224961 (4.53698e-09% change) + iteration 1479: trace = 2.393039456013605 (8.83211e-09% change) + iteration 1480: trace = 2.393039455919951 (3.91362e-09% change) + iteration 1481: trace = 2.393039455691 (9.56738e-09% change) + iteration 1482: trace = 2.393039455310053 (1.5919e-08% change) + iteration 1483: trace = 2.393039455209799 (4.18942e-09% change) + iteration 1484: trace = 2.393039454853034 (1.49084e-08% change) + iteration 1485: trace = 2.393039454725852 (5.31469e-09% change) + iteration 1486: trace = 2.393039454477527 (1.0377e-08% change) + iteration 1487: trace = 2.393039454276088 (8.41768e-09% change) + iteration 1488: trace = 2.393039454155173 (5.05279e-09% change) + iteration 1489: trace = 2.39303945391047 (1.02256e-08% change) + iteration 1490: trace = 2.39303945379105 (4.99033e-09% change) + iteration 1491: trace = 2.393039453696385 (3.95585e-09% change) + iteration 1492: trace = 2.393039453547345 (6.22806e-09% change) + iteration 1493: trace = 2.39303945345616 (3.81042e-09% change) + iteration 1494: trace = 2.393039453261435 (8.13717e-09% change) + iteration 1495: trace = 2.393039453036407 (9.40342e-09% change) + iteration 1496: trace = 2.39303945236112 (2.82188e-08% change) + iteration 1497: trace = 2.393039451598392 (3.18727e-08% change) + iteration 1498: trace = 2.393039450688551 (3.80203e-08% change) + iteration 1499: trace = 2.393039449346304 (5.60897e-08% change) + iteration 1500: trace = 2.393039448838321 (2.12275e-08% change) + iteration 1501: trace = 2.393039448060609 (3.24989e-08% change) + iteration 1502: trace = 2.393039447708555 (1.47116e-08% change) + iteration 1503: trace = 2.393039447364963 (1.43579e-08% change) + iteration 1504: trace = 2.393039447111634 (1.05861e-08% change) + iteration 1505: trace = 2.393039447044685 (2.79768e-09% change) + iteration 1506: trace = 2.393039446882423 (6.78055e-09% change) + iteration 1507: trace = 2.393039446806303 (3.18093e-09% change) + iteration 1508: trace = 2.393039446696549 (4.58637e-09% change) + iteration 1509: trace = 2.393039446448309 (1.03734e-08% change) + iteration 1510: trace = 2.39303944632957 (4.96186e-09% change) + iteration 1511: trace = 2.393039445998674 (1.38274e-08% change) + iteration 1512: trace = 2.393039445909668 (3.71938e-09% change) + iteration 1513: trace = 2.393039445605866 (1.26952e-08% change) + iteration 1514: trace = 2.393039445367546 (9.9589e-09% change) + iteration 1515: trace = 2.393039445125669 (1.01075e-08% change) + iteration 1516: trace = 2.393039444508643 (2.57842e-08% change) + iteration 1517: trace = 2.393039444304236 (8.54172e-09% change) + iteration 1518: trace = 2.393039443422092 (3.68629e-08% change) + iteration 1519: trace = 2.393039443156574 (1.10954e-08% change) + iteration 1520: trace = 2.393039442568173 (2.4588e-08% change) + iteration 1521: trace = 2.393039441817877 (3.13532e-08% change) + iteration 1522: trace = 2.393039441491577 (1.36354e-08% change) + iteration 1523: trace = 2.393039440968062 (2.18766e-08% change) + iteration 1524: trace = 2.393039440802342 (6.92508e-09% change) + iteration 1525: trace = 2.393039440553976 (1.03787e-08% change) + iteration 1526: trace = 2.393039440460814 (3.89306e-09% change) + iteration 1527: trace = 2.393039440308658 (6.35828e-09% change) + iteration 1528: trace = 2.393039440175098 (5.58118e-09% change) + iteration 1529: trace = 2.393039440106305 (2.87471e-09% change) + iteration 1530: trace = 2.393039439931684 (7.29705e-09% change) + iteration 1531: trace = 2.39303943986434 (2.81416e-09% change) + iteration 1532: trace = 2.393039439630698 (9.76338e-09% change) + iteration 1533: trace = 2.393039439447889 (7.63923e-09% change) + iteration 1534: trace = 2.393039439206459 (1.00888e-08% change) + iteration 1535: trace = 2.39303943861684 (2.46389e-08% change) + iteration 1536: trace = 2.393039438360802 (1.06993e-08% change) + iteration 1537: trace = 2.393039437720686 (2.67491e-08% change) + iteration 1538: trace = 2.393039437521372 (8.3289e-09% change) + iteration 1539: trace = 2.393039436780384 (3.09643e-08% change) + resetting CG direction... + iteration 1540: trace = 2.393039436489691 (1.21474e-08% change) + iteration 1541: trace = 2.393039436262124 (9.50957e-09% change) + iteration 1542: trace = 2.393039435844706 (1.7443e-08% change) + iteration 1543: trace = 2.393039435739807 (4.38353e-09% change) + iteration 1544: trace = 2.393039435258394 (2.01172e-08% change) + iteration 1545: trace = 2.393039435124509 (5.59478e-09% change) + iteration 1546: trace = 2.393039435043703 (3.37669e-09% change) + iteration 1547: trace = 2.393039434942201 (4.24155e-09% change) + iteration 1548: trace = 2.393039434894198 (2.00596e-09% change) + iteration 1549: trace = 2.393039434848686 (1.90183e-09% change) + iteration 1550: trace = 2.393039434792207 (2.36017e-09% change) + iteration 1551: trace = 2.393039434772513 (8.22934e-10% change) + iteration 1552: trace = 2.39303943469459 (3.25627e-09% change) + iteration 1553: trace = 2.393039434642525 (2.17567e-09% change) + iteration 1554: trace = 2.393039434588888 (2.24136e-09% change) + iteration 1555: trace = 2.393039434457906 (5.47345e-09% change) + iteration 1556: trace = 2.393039434395127 (2.6234e-09% change) + iteration 1557: trace = 2.393039434161418 (9.7662e-09% change) + iteration 1558: trace = 2.393039433983086 (7.45213e-09% change) + iteration 1559: trace = 2.393039433912257 (2.95978e-09% change) + iteration 1560: trace = 2.393039433800908 (4.65302e-09% change) + iteration 1561: trace = 2.393039433700014 (4.21614e-09% change) + iteration 1562: trace = 2.39303943366988 (1.25926e-09% change) + iteration 1563: trace = 2.393039433591263 (3.28522e-09% change) + iteration 1564: trace = 2.39303943357043 (8.70571e-10% change) + iteration 1565: trace = 2.393039433527776 (1.78243e-09% change) + iteration 1566: trace = 2.393039433497464 (1.26668e-09% change) + iteration 1567: trace = 2.393039433484033 (5.61254e-10% change) + iteration 1568: trace = 2.3930394334397 (1.85256e-09% change) + iteration 1569: trace = 2.393039433426766 (5.40488e-10% change) + iteration 1570: trace = 2.393039433409127 (7.37105e-10% change) + iteration 1571: trace = 2.393039433392283 (7.03869e-10% change) + iteration 1572: trace = 2.39303943338278 (3.97094e-10% change) + iteration 1573: trace = 2.393039433355812 (1.12696e-09% change) + iteration 1574: trace = 2.393039433332251 (9.84552e-10% change) + iteration 1575: trace = 2.393039433300312 (1.33468e-09% change) + iteration 1576: trace = 2.393039433228369 (3.00632e-09% change) + iteration 1577: trace = 2.393039433197565 (1.28724e-09% change) + iteration 1578: trace = 2.393039433101711 (4.00553e-09% change) + iteration 1579: trace = 2.393039433029865 (3.00228e-09% change) + iteration 1580: trace = 2.393039432950316 (3.32419e-09% change) + iteration 1581: trace = 2.393039432903306 (1.96446e-09% change) + iteration 1582: trace = 2.393039432866054 (1.55664e-09% change) + iteration 1583: trace = 2.393039432841488 (1.02657e-09% change) + iteration 1584: trace = 2.393039432830396 (4.63512e-10% change) + iteration 1585: trace = 2.393039432814712 (6.55397e-10% change) + iteration 1586: trace = 2.393039432808385 (2.64389e-10% change) + iteration 1587: trace = 2.393039432799618 (3.66363e-10% change) + iteration 1588: trace = 2.393039432794147 (2.28629e-10% change) + iteration 1589: trace = 2.393039432785871 (3.45838e-10% change) + iteration 1590: trace = 2.393039432775978 (4.13406e-10% change) + iteration 1591: trace = 2.393039432769934 (2.52568e-10% change) + iteration 1592: trace = 2.393039432757104 (5.36127e-10% change) + iteration 1593: trace = 2.393039432747073 (4.19178e-10% change) + iteration 1594: trace = 2.393039432723618 (9.80135e-10% change) + iteration 1595: trace = 2.393039432715388 (3.43908e-10% change) + iteration 1596: trace = 2.393039432697827 (7.33858e-10% change) + iteration 1597: trace = 2.393039432691562 (2.61773e-10% change) + iteration 1598: trace = 2.393039432680056 (4.80826e-10% change) + iteration 1599: trace = 2.393039432674651 (2.25864e-10% change) + iteration 1600: trace = 2.393039432666887 (3.24441e-10% change) + iteration 1601: trace = 2.393039432662075 (2.01108e-10% change) + iteration 1602: trace = 2.393039432652312 (4.07969e-10% change) + iteration 1603: trace = 2.393039432649089 (1.34653e-10% change) + iteration 1604: trace = 2.393039432642868 (2.59991e-10% change) + iteration 1605: trace = 2.393039432640549 (9.68889e-11% change) +Finished solving for bands 2 to 10 after 1605 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: 120.63355207443237 +solve_kpoint (0.166667,0,0): +Solving for bands 1 to 10... linmin: converged after 5 iterations. - iteration 1239: trace = 2.393044456127801 (1.16303e-05% change) + iteration 1: trace = 2.472606467966655 (8.48024% change) + linmin: converged after 6 iterations. + iteration 2: trace = 2.453425733708613 (0.77875% change) + linmin: converged after 6 iterations. + iteration 3: trace = 2.44284440560188 (0.43222% change) + linmin: converged after 7 iterations. + iteration 4: trace = 2.431161813336494 (0.479384% change) linmin: converged after 5 iterations. - iteration 1240: trace = 2.393044306117916 (6.26858e-06% change) - linmin: converged after 14 iterations. - iteration 1241: trace = 2.393044184071984 (5.10003e-06% change) - linmin: converged after 4 iterations. - iteration 1242: trace = 2.393043998039914 (7.77387e-06% change) + iteration 5: trace = 2.426060233180708 (0.210062% change) linmin: converged after 5 iterations. - iteration 1243: trace = 2.393043955033063 (1.79716e-06% change) - linmin: converged after 4 iterations. - iteration 1244: trace = 2.393043872842907 (3.43454e-06% change) - linmin: converged after 9 iterations. - iteration 1245: trace = 2.393043841931693 (1.29171e-06% change) + iteration 6: trace = 2.423173448452508 (0.119061% change) linmin: converged after 6 iterations. - iteration 1246: trace = 2.393043786965595 (2.29691e-06% change) - linmin: converged after 4 iterations. - iteration 1247: trace = 2.393043757389542 (1.23592e-06% change) + iteration 7: trace = 2.421004923558924 (0.0895312% change) linmin: converged after 4 iterations. - iteration 1248: trace = 2.393043734574912 (9.53373e-07% change) + iteration 8: trace = 2.419230533315037 (0.0733183% change) + linmin: converged after 8 iterations. + iteration 9: trace = 2.418879910691249 (0.0144942% change) linmin: converged after 4 iterations. - iteration 1249: trace = 2.393043710572849 (1.00299e-06% change) + iteration 10: trace = 2.4182177550807 (0.0273782% change) linmin: converged after 4 iterations. - iteration 1250: trace = 2.393043694718971 (6.62498e-07% change) - large trace change predicted (2.86878e-06%) - linmin: converged after 5 iterations. - iteration 1251: trace = 2.393043626068016 (2.86877e-06% change) - linmin: converged after 5 iterations. - iteration 1252: trace = 2.39304358606922 (1.67146e-06% change) - large trace change predicted (5.93772e-06%) - linmin: converged after 5 iterations. - iteration 1253: trace = 2.393043443977348 (5.93771e-06% change) + iteration 11: trace = 2.417916557385166 (0.0124561% change) linmin: converged after 4 iterations. - iteration 1254: trace = 2.393043331829206 (4.68642e-06% change) - linmin: converged after 18 iterations. - iteration 1255: trace = 2.393043156272861 (7.33611e-06% change) + iteration 12: trace = 2.417553360121609 (0.0150222% change) linmin: converged after 4 iterations. - iteration 1256: trace = 2.393042937491655 (9.14238e-06% change) - linmin: converged after 5 iterations. - iteration 1257: trace = 2.393042835473432 (4.26312e-06% change) + iteration 13: trace = 2.417324335360113 (0.00947386% change) + linmin: converged after 3 iterations. + iteration 14: trace = 2.417053421069389 (0.0112078% change) linmin: converged after 4 iterations. - iteration 1258: trace = 2.393042688906305 (6.12472e-06% change) - linmin: converged after 9 iterations. - iteration 1259: trace = 2.393042580942389 (4.51158e-06% change) - resetting CG direction... + iteration 15: trace = 2.416983281986164 (0.00290188% change) + large trace change predicted (0.00610733%) + linmin: converged after 3 iterations. + iteration 16: trace = 2.416834081260494 (0.0061732% change) linmin: converged after 4 iterations. - iteration 1260: trace = 2.393042494444168 (3.61457e-06% change) + iteration 17: trace = 2.41678983657266 (0.0018307% change) + large trace change predicted (0.00505463%) + linmin: converged after 3 iterations. + iteration 18: trace = 2.416666890201386 (0.00508731% change) linmin: converged after 4 iterations. - iteration 1261: trace = 2.39304237227144 (5.10533e-06% change) + iteration 19: trace = 2.416616623985179 (0.00208% change) + linmin: converged after 3 iterations. + iteration 20: trace = 2.416550483046565 (0.00273696% change) linmin: converged after 4 iterations. - iteration 1262: trace = 2.393042243073924 (5.39888e-06% change) - linmin: converged after 16 iterations. - iteration 1263: trace = 2.393042128941284 (4.76935e-06% change) - linmin: converged after 2 iterations. - iteration 1264: trace = 2.393041958163209 (7.13644e-06% change) - linmin: converged after 5 iterations. - iteration 1265: trace = 2.393041922584542 (1.48675e-06% change) - large trace change predicted (3.82482e-06%) + iteration 21: trace = 2.416470670256409 (0.00330281% change) + linmin: converged after 3 iterations. + iteration 22: trace = 2.416391402002709 (0.00328039% change) linmin: converged after 4 iterations. - iteration 1266: trace = 2.393041831054881 (3.82482e-06% change) + iteration 23: trace = 2.416340779837139 (0.00209497% change) + linmin: converged after 3 iterations. + iteration 24: trace = 2.416269445010676 (0.00295223% change) linmin: converged after 6 iterations. - iteration 1267: trace = 2.393041791783825 (1.64105e-06% change) + iteration 25: trace = 2.416222909671906 (0.00192594% change) + linmin: converged after 3 iterations. + iteration 26: trace = 2.416194190802248 (0.00118859% change) + large trace change predicted (0.00530476%) + linmin: converged after 3 iterations. + iteration 27: trace = 2.41606590804502 (0.00530943% change) + linmin: converged after 3 iterations. + iteration 28: trace = 2.416019707236027 (0.00191225% change) + large trace change predicted (0.00450143%) linmin: converged after 5 iterations. - iteration 1268: trace = 2.393041778601877 (5.50845e-07% change) - linmin: converged after 18 iterations. - iteration 1269: trace = 2.393041760731506 (7.46764e-07% change) - linmin: converged after 10 iterations. - iteration 1270: trace = 2.393041742172457 (7.75542e-07% change) + iteration 29: trace = 2.415911127981804 (0.00449424% change) + linmin: converged after 3 iterations. + iteration 30: trace = 2.415826281437467 (0.00351205% change) + linmin: converged after 3 iterations. + iteration 31: trace = 2.415705991217663 (0.00497938% change) + linmin: converged after 3 iterations. + iteration 32: trace = 2.415627957140762 (0.00323033% change) + large trace change predicted (0.0107004%) linmin: converged after 4 iterations. - iteration 1271: trace = 2.393041734290477 (3.29371e-07% change) - large trace change predicted (1.24361e-06%) + iteration 33: trace = 2.415370478087776 (0.0106595% change) + linmin: converged after 3 iterations. + iteration 34: trace = 2.41530169483047 (0.00284777% change) + large trace change predicted (0.00887855%) linmin: converged after 4 iterations. - iteration 1272: trace = 2.393041704530217 (1.24362e-06% change) - linmin: converged after 6 iterations. - iteration 1273: trace = 2.39304169177772 (5.32899e-07% change) - large trace change predicted (1.25106e-06%) + iteration 35: trace = 2.415087727697524 (0.00885921% change) linmin: converged after 4 iterations. - iteration 1274: trace = 2.393041661839282 (1.25106e-06% change) + iteration 36: trace = 2.414996251495994 (0.00378777% change) + linmin: converged after 3 iterations. + iteration 37: trace = 2.414847735663104 (0.00614992% change) + linmin: converged after 5 iterations. + iteration 38: trace = 2.414719127965916 (0.00532585% change) + linmin: converged after 4 iterations. + iteration 39: trace = 2.414561227585647 (0.00653929% change) + linmin: converged after 5 iterations. + iteration 40: trace = 2.414484060520575 (0.00319596% change) + linmin: converged after 4 iterations. + iteration 41: trace = 2.414383035275208 (0.00418422% change) + linmin: converged after 3 iterations. + iteration 42: trace = 2.414348611090397 (0.00142581% change) + linmin: converged after 4 iterations. + iteration 43: trace = 2.414292692439642 (0.00231612% change) + linmin: converged after 3 iterations. + iteration 44: trace = 2.414262791095053 (0.00123852% change) + linmin: converged after 4 iterations. + iteration 45: trace = 2.414243226835588 (0.000810365% change) + linmin: converged after 3 iterations. + iteration 46: trace = 2.414221921780883 (0.000882477% change) + linmin: converged after 4 iterations. + iteration 47: trace = 2.41418929425025 (0.00135148% change) + linmin: converged after 3 iterations. + iteration 48: trace = 2.414175400195897 (0.000575518% change) + large trace change predicted (0.00151725%) + linmin: converged after 4 iterations. + iteration 49: trace = 2.41413908462209 (0.00150428% change) + linmin: converged after 3 iterations. + iteration 50: trace = 2.414108568060679 (0.00126408% change) + linmin: converged after 4 iterations. + iteration 51: trace = 2.414084392375202 (0.00100144% change) + linmin: converged after 3 iterations. + iteration 52: trace = 2.414051930694426 (0.00134469% change) + linmin: converged after 4 iterations. + iteration 53: trace = 2.414006494837409 (0.00188216% change) + linmin: converged after 3 iterations. + iteration 54: trace = 2.41398750978656 (0.000786457% change) + large trace change predicted (0.00171871%) + linmin: converged after 4 iterations. + iteration 55: trace = 2.41394630626289 (0.00170688% change) + linmin: converged after 3 iterations. + iteration 56: trace = 2.413918574097357 (0.00114884% change) + linmin: converged after 4 iterations. + iteration 57: trace = 2.413893135391075 (0.00105384% change) + linmin: converged after 3 iterations. + iteration 58: trace = 2.413859198190367 (0.00140592% change) + linmin: converged after 4 iterations. + iteration 59: trace = 2.413820568082738 (0.00160036% change) + linmin: converged after 3 iterations. + iteration 60: trace = 2.413793675598058 (0.00111411% change) + linmin: converged after 4 iterations. + iteration 61: trace = 2.413747514976542 (0.00191239% change) + linmin: converged after 3 iterations. + iteration 62: trace = 2.413717596347726 (0.00123952% change) + linmin: converged after 4 iterations. + iteration 63: trace = 2.413670733178486 (0.00194155% change) + linmin: converged after 3 iterations. + iteration 64: trace = 2.413608436865179 (0.00258101% change) + linmin: converged after 4 iterations. + iteration 65: trace = 2.413550321775024 (0.00240784% change) + linmin: converged after 3 iterations. + iteration 66: trace = 2.413476837978939 (0.00304468% change) + linmin: converged after 4 iterations. + iteration 67: trace = 2.413393406768062 (0.00345695% change) + linmin: converged after 3 iterations. + iteration 68: trace = 2.413361524518501 (0.00132106% change) + linmin: converged after 4 iterations. + iteration 69: trace = 2.41330917382101 (0.00216923% change) + resetting CG direction... + linmin: converged after 3 iterations. + iteration 70: trace = 2.413292400452796 (0.000695038% change) + linmin: converged after 3 iterations. + iteration 71: trace = 2.413275691423371 (0.000692377% change) + linmin: converged after 4 iterations. + iteration 72: trace = 2.413247252466296 (0.00117844% change) + linmin: converged after 5 iterations. + iteration 73: trace = 2.41324091535112 (0.000262597% change) + large trace change predicted (0.00068685%) + linmin: converged after 3 iterations. + iteration 74: trace = 2.413224317118746 (0.000687801% change) + linmin: converged after 4 iterations. + iteration 75: trace = 2.413219263865258 (0.000209399% change) + linmin: converged after 3 iterations. + iteration 76: trace = 2.413214436441205 (0.000200041% change) + linmin: converged after 3 iterations. + iteration 77: trace = 2.413206787193397 (0.000316974% change) + linmin: converged after 3 iterations. + iteration 78: trace = 2.413202637178166 (0.000171971% change) + linmin: converged after 3 iterations. + iteration 79: trace = 2.413195472841273 (0.000296881% change) + large trace change predicted (0.000675695%) + linmin: converged after 3 iterations. + iteration 80: trace = 2.413179088798106 (0.000678938% change) + linmin: converged after 4 iterations. + switching to approximate line minimization (decrease time by 97.97%) + iteration 81: trace = 2.413174452012291 (0.000192144% change) + iteration 82: trace = 2.413158253406041 (0.000671259% change) + iteration 83: trace = 2.413137334682368 (0.000866865% change) + iteration 84: trace = 2.413132024194982 (0.000220066% change) + iteration 85: trace = 2.413098573954028 (0.00138618% change) + iteration 86: trace = 2.413088255416335 (0.000427606% change) + iteration 87: trace = 2.413069910567613 (0.000760226% change) + iteration 88: trace = 2.413059362811554 (0.00043711% change) + iteration 89: trace = 2.413055462184191 (0.000161647% change) + iteration 90: trace = 2.413045750170669 (0.000402479% change) + iteration 91: trace = 2.413034604656234 (0.000461887% change) + iteration 92: trace = 2.413027545289589 (0.000292552% change) + iteration 93: trace = 2.413012018943934 (0.00064344% change) + iteration 94: trace = 2.413008206212 (0.000158007% change) + iteration 95: trace = 2.413001293052264 (0.000286496% change) + iteration 96: trace = 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(2.16195e-07% change) + iteration 632: trace = 2.412631351123994 (2.88527e-07% change) + iteration 633: trace = 2.412631349743743 (5.72094e-08% change) + iteration 634: trace = 2.412631341716389 (3.32722e-07% change) + iteration 635: trace = 2.412631337005373 (1.95265e-07% change) + iteration 636: trace = 2.412631331398329 (2.32404e-07% change) + iteration 637: trace = 2.412631320893472 (4.35411e-07% change) + iteration 638: trace = 2.4126313087616 (5.02848e-07% change) + iteration 639: trace = 2.412631300236951 (3.53334e-07% change) + iteration 640: trace = 2.412631271471728 (1.19228e-06% change) + iteration 641: trace = 2.412631264591952 (2.85157e-07% change) + iteration 642: trace = 2.412631240302207 (1.00677e-06% change) + iteration 643: trace = 2.412631224620354 (6.4999e-07% change) + iteration 644: trace = 2.412631219202167 (2.24576e-07% change) + iteration 645: trace = 2.41263119991227 (7.99538e-07% change) + iteration 646: trace = 2.412631187281838 (5.23513e-07% change) + iteration 647: trace = 2.412631183538957 (1.55137e-07% change) + iteration 648: trace = 2.412631176986211 (2.71602e-07% change) + iteration 649: trace = 2.412631170126342 (2.84331e-07% change) + iteration 650: trace = 2.412631167967279 (8.94899e-08% change) + iteration 651: trace = 2.412631160104312 (3.25908e-07% change) + iteration 652: trace = 2.412631155092155 (2.07747e-07% change) + iteration 653: trace = 2.412631151830588 (1.35187e-07% change) + iteration 654: trace = 2.412631148100569 (1.54604e-07% change) + iteration 655: trace = 2.412631144672146 (1.42103e-07% change) + iteration 656: trace = 2.4126311408555 (1.58194e-07% change) + iteration 657: trace = 2.41263113326633 (3.1456e-07% change) + iteration 658: trace = 2.412631125374814 (3.27092e-07% change) + iteration 659: trace = 2.412631122014825 (1.39267e-07% change) + iteration 660: trace = 2.412631111226137 (4.47175e-07% change) + iteration 661: trace = 2.412631094745635 (6.83093e-07% change) + iteration 662: trace = 2.41263108916398 (2.31351e-07% change) + iteration 663: trace = 2.412631058801689 (1.25847e-06% change) + iteration 664: trace = 2.412631050244352 (3.54689e-07% change) + iteration 665: trace = 2.412631023451142 (1.11054e-06% change) + iteration 666: trace = 2.412631010740104 (5.26854e-07% change) + iteration 667: trace = 2.412631003388076 (3.04731e-07% change) + iteration 668: trace = 2.412630990129927 (5.49531e-07% change) + iteration 669: trace = 2.412630978716334 (4.73077e-07% change) + iteration 670: trace = 2.412630975039631 (1.52394e-07% change) + iteration 671: trace = 2.412630967095907 (3.29256e-07% change) + iteration 672: trace = 2.412630962485561 (1.91092e-07% change) + iteration 673: trace = 2.412630959397459 (1.27997e-07% change) + iteration 674: trace = 2.412630952322548 (2.93245e-07% change) + iteration 675: trace = 2.412630948081179 (1.75799e-07% change) + iteration 676: trace = 2.412630941183334 (2.85905e-07% change) + iteration 677: trace = 2.412630933164048 (3.32388e-07% change) + iteration 678: trace = 2.412630929184866 (1.64931e-07% change) + iteration 679: trace = 2.412630925219122 (1.64374e-07% change) + iteration 680: trace = 2.412630914362956 (4.49972e-07% change) + iteration 681: trace = 2.412630912576427 (7.4049e-08% change) + iteration 682: trace = 2.412630901816805 (4.45971e-07% change) + iteration 683: trace = 2.412630894169225 (3.16981e-07% change) + iteration 684: trace = 2.412630889649857 (1.87321e-07% change) + iteration 685: trace = 2.412630870614899 (7.88971e-07% change) + iteration 686: trace = 2.412630847449125 (9.60187e-07% change) + iteration 687: trace = 2.412630833538021 (5.76595e-07% change) + iteration 688: trace = 2.41263079850749 (1.45196e-06% change) + iteration 689: trace = 2.412630789734988 (3.63607e-07% change) + iteration 690: trace = 2.412630771005409 (7.76314e-07% change) + iteration 691: trace = 2.412630759700689 (4.68564e-07% change) + iteration 692: trace = 2.412630756845819 (1.1833e-07% change) + iteration 693: trace = 2.41263074404484 (5.30582e-07% change) + iteration 694: trace = 2.412630735308403 (3.62112e-07% change) + iteration 695: trace = 2.412630732739158 (1.06491e-07% change) + iteration 696: trace = 2.412630727339903 (2.23791e-07% change) + iteration 697: trace = 2.41263072241868 (2.03977e-07% change) + iteration 698: trace = 2.41263072025529 (8.96693e-08% change) + iteration 699: trace = 2.412630714782467 (2.2684e-07% change) + resetting CG direction... + iteration 700: trace = 2.412630711798446 (1.23683e-07% change) + iteration 701: trace = 2.412630708931796 (1.18818e-07% change) + iteration 702: trace = 2.412630703325264 (2.32383e-07% change) + iteration 703: trace = 2.412630700774117 (1.05741e-07% change) + iteration 704: trace = 2.412630696769085 (1.66003e-07% change) + iteration 705: trace = 2.41263068827927 (3.5189e-07% change) + iteration 706: trace = 2.412630686639091 (6.7983e-08% change) + iteration 707: trace = 2.412630674544242 (5.01314e-07% change) + iteration 708: trace = 2.412630669692579 (2.01094e-07% change) + iteration 709: trace = 2.412630663853686 (2.42014e-07% change) + iteration 710: trace = 2.412630641797898 (9.1418e-07% change) + iteration 711: trace = 2.412630626620497 (6.29081e-07% change) + iteration 712: trace = 2.412630610904936 (6.51387e-07% change) + iteration 713: trace = 2.412630590926314 (8.28085e-07% change) + iteration 714: trace = 2.412630584422191 (2.69586e-07% change) + iteration 715: trace = 2.412630574910539 (3.94244e-07% change) + iteration 716: trace = 2.41263056521215 (4.01984e-07% change) + iteration 717: trace = 2.412630562911699 (9.53504e-08% change) + iteration 718: trace = 2.412630555539011 (3.05587e-07% change) + iteration 719: trace = 2.412630550739181 (1.98946e-07% change) + iteration 720: trace = 2.412630548575429 (8.96843e-08% change) + iteration 721: trace = 2.412630545645054 (1.2146e-07% change) + iteration 722: trace = 2.412630540912184 (1.96171e-07% change) + iteration 723: trace = 2.412630536958447 (1.63877e-07% change) + iteration 724: trace = 2.412630530746318 (2.57484e-07% change) + iteration 725: trace = 2.412630528371017 (9.84528e-08% change) + iteration 726: trace = 2.412630526193053 (9.02734e-08% change) + iteration 727: trace = 2.412630521369874 (1.99914e-07% change) + iteration 728: trace = 2.412630516751743 (1.91415e-07% change) + iteration 729: trace = 2.412630515029732 (7.13748e-08% change) + iteration 730: trace = 2.412630507025316 (3.31771e-07% change) + iteration 731: trace = 2.412630504609612 (1.00127e-07% change) + iteration 732: trace = 2.412630501164148 (1.42809e-07% change) + iteration 733: trace = 2.412630488535104 (5.23455e-07% change) + iteration 734: trace = 2.412630485881642 (1.09982e-07% change) + iteration 735: trace = 2.41263046702973 (7.81384e-07% change) + iteration 736: trace = 2.41263046021568 (2.82432e-07% change) + iteration 737: trace = 2.412630453124438 (2.93922e-07% change) + iteration 738: trace = 2.412630442229593 (4.51575e-07% change) + iteration 739: trace = 2.412630436211249 (2.49452e-07% change) + iteration 740: trace = 2.41263043157184 (1.92297e-07% change) + iteration 741: trace = 2.412630426340725 (2.16822e-07% change) + iteration 742: trace = 2.412630424790354 (6.42606e-08% change) + iteration 743: trace = 2.412630422348506 (1.01211e-07% change) + iteration 744: trace = 2.412630420703085 (6.82003e-08% change) + iteration 745: trace = 2.412630419454282 (5.17611e-08% change) + iteration 746: trace = 2.412630416995761 (1.01902e-07% change) + switching back to exact line minimization + iteration 747: trace = 2.412630413663158 (1.38132e-07% change) + linmin: converged after 16 iterations. + iteration 748: trace = 2.412630412958835 (2.91932e-08% change) + large trace change predicted (8.63013e-08%) linmin: converged after 4 iterations. - iteration 1275: trace = 2.393041609769208 (2.1759e-06% change) - linmin: converged after 5 iterations. - iteration 1276: trace = 2.393041577259654 (1.3585e-06% change) - large trace change predicted (3.94594e-06%) + iteration 749: trace = 2.412630410876761 (8.62989e-08% change) linmin: converged after 4 iterations. - iteration 1277: trace = 2.393041482832614 (3.9459e-06% change) - linmin: converged after 12 iterations. - iteration 1278: trace = 2.393041396969246 (3.58804e-06% change) + iteration 750: trace = 2.412630407058423 (1.58265e-07% change) linmin: converged after 10 iterations. - iteration 1279: trace = 2.393041337007489 (2.50567e-06% change) - linmin: converged after 4 iterations. - iteration 1280: trace = 2.393041261513101 (3.15475e-06% change) - linmin: converged after 4 iterations. - iteration 1281: trace = 2.393041240384274 (8.82928e-07% change) - linmin: converged after 5 iterations. - iteration 1282: trace = 2.393041211258452 (1.2171e-06% change) - linmin: converged after 4 iterations. - iteration 1283: trace = 2.393041183268687 (1.16963e-06% change) + iteration 751: trace = 2.412630405760572 (5.3794e-08% change) + large trace change predicted (1.89495e-07%) + linmin: converged after 7 iterations. + iteration 752: trace = 2.412630401188921 (1.89488e-07% change) linmin: converged after 4 iterations. - iteration 1284: trace = 2.393041174510145 (3.66e-07% change) - large trace change predicted (9.83093e-07%) + iteration 753: trace = 2.412630396054183 (2.12827e-07% change) + linmin: converged after 17 iterations. + iteration 754: trace = 2.412630393587329 (1.02248e-07% change) + large trace change predicted (2.57432e-07%) + linmin: converged after 6 iterations. + iteration 755: trace = 2.412630387376735 (2.5742e-07% change) + linmin: converged after 3 iterations. + iteration 756: trace = 2.412630382226974 (2.1345e-07% change) + linmin: converged after 3 iterations. + iteration 757: trace = 2.412630377895553 (1.79531e-07% change) + large trace change predicted (6.08882e-07%) + linmin: converged after 3 iterations. + iteration 758: trace = 2.412630363206468 (6.08841e-07% change) + linmin: converged after 35 iterations. + iteration 759: trace = 2.412630361221889 (8.22579e-08% change) + large trace change predicted (4.68977e-07%) + linmin: converged after 3 iterations. + iteration 760: trace = 2.412630349907415 (4.68968e-07% change) + linmin: converged after 23 iterations. + iteration 761: trace = 2.412630347191996 (1.1255e-07% change) + large trace change predicted (2.76697e-07%) + linmin: converged after 7 iterations. + iteration 762: trace = 2.412630340516017 (2.7671e-07% change) + linmin: converged after 8 iterations. + iteration 763: trace = 2.412630336928326 (1.48705e-07% change) + linmin: converged after 11 iterations. + iteration 764: trace = 2.412630334787009 (8.87545e-08% change) linmin: converged after 4 iterations. - iteration 1285: trace = 2.393041150984479 (9.83087e-07% change) + iteration 765: trace = 2.412630333724536 (4.40379e-08% change) + large trace change predicted (1.1658e-07%) + linmin: converged after 3 iterations. + iteration 766: trace = 2.412630330911912 (1.16579e-07% change) + linmin: converged after 13 iterations. + iteration 767: trace = 2.412630329090839 (7.54808e-08% change) + linmin: converged after 2 iterations. + iteration 768: trace = 2.412630327843399 (5.17046e-08% change) + large trace change predicted (1.68499e-07%) linmin: converged after 4 iterations. - iteration 1286: trace = 2.393041146117166 (2.03394e-07% change) - large trace change predicted (7.89198e-07%) + iteration 769: trace = 2.412630323778401 (1.68488e-07% change) + resetting CG direction... linmin: converged after 4 iterations. - iteration 1287: trace = 2.393041127231414 (7.89195e-07% change) - linmin: converged after 5 iterations. - iteration 1288: trace = 2.393041118407331 (3.68739e-07% change) - linmin: converged after 9 iterations. - iteration 1289: trace = 2.393041107212448 (4.6781e-07% change) + iteration 770: trace = 2.41263032044509 (1.38161e-07% change) + linmin: converged after 3 iterations. + iteration 771: trace = 2.412630319517703 (3.84389e-08% change) + large trace change predicted (1.04867e-07%) + linmin: converged after 3 iterations. + iteration 772: trace = 2.41263031698765 (1.04867e-07% change) + linmin: converged after 3 iterations. + iteration 773: trace = 2.412630316465592 (2.16386e-08% change) + large trace change predicted (1.05896e-07%) + linmin: converged after 11 iterations. + iteration 774: trace = 2.412630313910676 (1.05898e-07% change) + linmin: converged after 3 iterations. + iteration 775: trace = 2.412630311590147 (9.61826e-08% change) + linmin: converged after 8 iterations. + iteration 776: trace = 2.412630310221356 (5.67344e-08% change) + large trace change predicted (1.21152e-07%) + linmin: converged after 2 iterations. + iteration 777: trace = 2.412630307298413 (1.21152e-07% change) + large trace change predicted (2.86792e-07%) linmin: converged after 12 iterations. - iteration 1290: trace = 2.393041092008245 (6.35351e-07% change) - linmin: converged after 4 iterations. - iteration 1291: trace = 2.393041086023486 (2.5009e-07% change) - large trace change predicted (7.32309e-07%) + iteration 778: trace = 2.412630300379262 (2.86789e-07% change) + linmin: converged after 3 iterations. + iteration 779: trace = 2.412630298837582 (6.39004e-08% change) + large trace change predicted (3.89799e-07%) + linmin: converged after 2 iterations. + iteration 780: trace = 2.412630289433011 (3.89806e-07% change) + linmin: converged after 15 iterations. + iteration 781: trace = 2.412630284883701 (1.88562e-07% change) + linmin: converged after 2 iterations. + iteration 782: trace = 2.412630280769787 (1.70516e-07% change) + linmin: converged after 7 iterations. + iteration 783: trace = 2.412630272564177 (3.40111e-07% change) + linmin: converged after 11 iterations. + iteration 784: trace = 2.412630268304516 (1.76557e-07% change) + linmin: converged after 13 iterations. + iteration 785: trace = 2.41263026388216 (1.833e-07% change) + linmin: converged after 13 iterations. + iteration 786: trace = 2.412630259940493 (1.63376e-07% change) + linmin: converged after 2 iterations. + iteration 787: trace = 2.412630257948493 (8.25655e-08% change) linmin: converged after 4 iterations. - iteration 1292: trace = 2.393041068498797 (7.32319e-07% change) + iteration 788: trace = 2.412630256129333 (7.54015e-08% change) + linmin: converged after 3 iterations. + iteration 789: trace = 2.412630253379383 (1.13981e-07% change) linmin: converged after 4 iterations. - iteration 1293: trace = 2.393041055230614 (5.54449e-07% change) + iteration 790: trace = 2.412630250669581 (1.12317e-07% change) + linmin: converged after 18 iterations. + iteration 791: trace = 2.412630249806155 (3.57877e-08% change) + large trace change predicted (1.04229e-07%) linmin: converged after 4 iterations. - iteration 1294: trace = 2.393041037293166 (7.49567e-07% change) - large trace change predicted (1.5871e-06%) - linmin: converged after 8 iterations. - iteration 1295: trace = 2.393040999313733 (1.58708e-06% change) + iteration 792: trace = 2.412630247291495 (1.04229e-07% change) linmin: converged after 4 iterations. - iteration 1296: trace = 2.393040977636887 (9.05828e-07% change) - large trace change predicted (1.98654e-06%) + iteration 793: trace = 2.41263024683614 (1.88738e-08% change) linmin: converged after 6 iterations. - iteration 1297: trace = 2.393040930097839 (1.98655e-06% change) - linmin: converged after 10 iterations. - iteration 1298: trace = 2.39304089024491 (1.66537e-06% change) - linmin: converged after 6 iterations. - iteration 1299: trace = 2.39304087043698 (8.27731e-07% change) - large trace change predicted (1.75246e-06%) + iteration 794: trace = 2.412630245979298 (3.55149e-08% change) + large trace change predicted (1.06249e-07%) + linmin: converged after 3 iterations. + iteration 795: trace = 2.412630243415923 (1.06248e-07% change) + linmin: converged after 3 iterations. + iteration 796: trace = 2.412630242952271 (1.92177e-08% change) + large trace change predicted (1.10565e-07%) + linmin: converged after 7 iterations. + iteration 797: trace = 2.412630240284846 (1.10561e-07% change) linmin: converged after 4 iterations. - iteration 1300: trace = 2.39304082850022 (1.75245e-06% change) + iteration 798: trace = 2.412630237978272 (9.56041e-08% change) + linmin: converged after 2 iterations. + iteration 799: trace = 2.412630236746451 (5.10572e-08% change) + large trace change predicted (1.49627e-07%) + linmin: converged after 3 iterations. + iteration 800: trace = 2.412630233136625 (1.49622e-07% change) + large trace change predicted (3.06095e-07%) linmin: converged after 4 iterations. - iteration 1301: trace = 2.393040823596781 (2.04904e-07% change) - large trace change predicted (7.02836e-07%) + iteration 801: trace = 2.412630225752322 (3.06069e-07% change) linmin: converged after 4 iterations. - iteration 1302: trace = 2.393040806777944 (7.02823e-07% change) + iteration 802: trace = 2.412630223539908 (9.17014e-08% change) + large trace change predicted (4.19882e-07%) + linmin: converged after 3 iterations. + iteration 803: trace = 2.412630213411543 (4.19806e-07% change) + linmin: converged after 3 iterations. + iteration 804: trace = 2.412630206275316 (2.95786e-07% change) + linmin: converged after 3 iterations. + iteration 805: trace = 2.412630202535556 (1.55008e-07% change) + linmin: converged after 14 iterations. + iteration 806: trace = 2.412630196647435 (2.44054e-07% change) + linmin: converged after 3 iterations. + iteration 807: trace = 2.412630188977036 (3.17927e-07% change) linmin: converged after 4 iterations. - iteration 1303: trace = 2.393040799199992 (3.16666e-07% change) - linmin: converged after 5 iterations. - iteration 1304: trace = 2.393040793588882 (2.34476e-07% change) - linmin: converged after 6 iterations. - iteration 1305: trace = 2.393040785610138 (3.33414e-07% change) + iteration 808: trace = 2.412630188103492 (3.62071e-08% change) + large trace change predicted (2.11678e-07%) linmin: converged after 3 iterations. - iteration 1306: trace = 2.393040781529431 (1.70524e-07% change) - large trace change predicted (5.7901e-07%) + iteration 809: trace = 2.412630182996836 (2.11663e-07% change) + linmin: converged after 10 iterations. + iteration 810: trace = 2.412630182076922 (3.81291e-08% change) + large trace change predicted (1.04725e-07%) linmin: converged after 4 iterations. - iteration 1307: trace = 2.393040767673701 (5.79001e-07% change) + iteration 811: trace = 2.41263017955038 (1.04722e-07% change) linmin: converged after 4 iterations. - iteration 1308: trace = 2.393040764117479 (1.48607e-07% change) - large trace change predicted (4.67503e-07%) - linmin: converged after 5 iterations. - iteration 1309: trace = 2.393040752930362 (4.67485e-07% change) - linmin: converged after 17 iterations. - iteration 1310: trace = 2.393040744338404 (3.59039e-07% change) - linmin: converged after 5 iterations. - iteration 1311: trace = 2.393040738644882 (2.3792e-07% change) - large trace change predicted (5.43118e-07%) + iteration 812: trace = 2.412630177280867 (9.4068e-08% change) linmin: converged after 4 iterations. - iteration 1312: trace = 2.39304072564791 (5.43115e-07% change) + iteration 813: trace = 2.412630176351845 (3.85066e-08% change) + large trace change predicted (7.92533e-08%) + linmin: converged after 3 iterations. + iteration 814: trace = 2.412630174439803 (7.92514e-08% change) + linmin: converged after 21 iterations. + iteration 815: trace = 2.412630170842939 (1.49085e-07% change) linmin: converged after 4 iterations. - iteration 1313: trace = 2.393040720932457 (1.97049e-07% change) - large trace change predicted (6.63301e-07%) - linmin: converged after 9 iterations. - iteration 1314: trace = 2.393040705059309 (6.63305e-07% change) + iteration 816: trace = 2.412630170356556 (2.01598e-08% change) + large trace change predicted (1.36759e-07%) + linmin: converged after 26 iterations. + iteration 817: trace = 2.412630167057206 (1.36753e-07% change) + linmin: converged after 3 iterations. + iteration 818: trace = 2.412630165117004 (8.04186e-08% change) linmin: converged after 4 iterations. - iteration 1315: trace = 2.393040700724848 (1.81128e-07% change) - large trace change predicted (6.34246e-07%) - linmin: converged after 7 iterations. - iteration 1316: trace = 2.393040685546813 (6.34257e-07% change) + iteration 819: trace = 2.412630162555296 (1.06179e-07% change) + linmin: converged after 3 iterations. + iteration 820: trace = 2.412630161030518 (6.31998e-08% change) + large trace change predicted (1.71573e-07%) + linmin: converged after 3 iterations. + iteration 821: trace = 2.412630156891043 (1.71575e-07% change) linmin: converged after 4 iterations. - iteration 1317: trace = 2.393040675332705 (4.26825e-07% change) + iteration 822: trace = 2.412630155387827 (6.23061e-08% change) linmin: converged after 4 iterations. - iteration 1318: trace = 2.39304066151545 (5.77393e-07% change) + iteration 823: trace = 2.41263015292005 (1.02286e-07% change) + large trace change predicted (2.56299e-07%) + linmin: converged after 2 iterations. + iteration 824: trace = 2.412630146736419 (2.56303e-07% change) linmin: converged after 5 iterations. - iteration 1319: trace = 2.393040642637224 (7.8888e-07% change) + iteration 825: trace = 2.412630144542905 (9.09179e-08% change) + large trace change predicted (4.33845e-07%) + linmin: converged after 3 iterations. + iteration 826: trace = 2.412630134075553 (4.33856e-07% change) linmin: converged after 4 iterations. - iteration 1320: trace = 2.393040635856141 (2.83367e-07% change) - large trace change predicted (6.73284e-07%) + iteration 827: trace = 2.412630124171649 (4.10502e-07% change) + linmin: converged after 3 iterations. + iteration 828: trace = 2.412630120134468 (1.67335e-07% change) + large trace change predicted (3.50706e-07%) linmin: converged after 4 iterations. - iteration 1321: trace = 2.39304061974444 (6.73273e-07% change) - linmin: converged after 5 iterations. - iteration 1322: trace = 2.393040614532548 (2.17794e-07% change) + iteration 829: trace = 2.412630111673058 (3.50713e-07% change) + linmin: converged after 3 iterations. + iteration 830: trace = 2.412630109206976 (1.02216e-07% change) linmin: converged after 4 iterations. - iteration 1323: trace = 2.393040609337865 (2.17075e-07% change) + iteration 831: trace = 2.412630106968032 (9.2801e-08% change) + large trace change predicted (2.06307e-07%) + linmin: converged after 3 iterations. + iteration 832: trace = 2.412630101990573 (2.06308e-07% change) + linmin: converged after 7 iterations. + iteration 833: trace = 2.412630101382097 (2.52204e-08% change) + large trace change predicted (1.42466e-07%) + linmin: converged after 2 iterations. + iteration 834: trace = 2.412630097944909 (1.42466e-07% change) linmin: converged after 4 iterations. - iteration 1324: trace = 2.39304060472102 (1.92928e-07% change) + iteration 835: trace = 2.41263009604321 (7.88226e-08% change) + linmin: converged after 7 iterations. + iteration 836: trace = 2.412630095269899 (3.20526e-08% change) + large trace change predicted (7.44198e-08%) + linmin: converged after 3 iterations. + iteration 837: trace = 2.412630093474415 (7.44202e-08% change) linmin: converged after 4 iterations. - iteration 1325: trace = 2.393040603294851 (5.95965e-08% change) + iteration 838: trace = 2.412630091711039 (7.30894e-08% change) + linmin: converged after 2 iterations. + iteration 839: trace = 2.412630090918313 (3.28573e-08% change) + resetting CG direction... + linmin: converged after 2 iterations. + iteration 840: trace = 2.412630090167192 (3.11329e-08% change) + large trace change predicted (6.5958e-08%) + linmin: converged after 3 iterations. + iteration 841: trace = 2.412630088575863 (6.59583e-08% change) + linmin: converged after 34 iterations. + iteration 842: trace = 2.412630086858776 (7.11708e-08% change) + linmin: converged after 3 iterations. + iteration 843: trace = 2.41263008610378 (3.12935e-08% change) + large trace change predicted (7.6041e-08%) + linmin: converged after 3 iterations. + iteration 844: trace = 2.41263008426918 (7.60415e-08% change) + linmin: converged after 3 iterations. + switching to approximate line minimization (decrease time by 98.7305%) + iteration 845: trace = 2.412630081403157 (1.18792e-07% change) + iteration 846: trace = 2.41263008059834 (3.33585e-08% change) + iteration 847: trace = 2.412630077853442 (1.13772e-07% change) + iteration 848: trace = 2.41263007498034 (1.19086e-07% change) + iteration 849: trace = 2.412630073714344 (5.24737e-08% change) + iteration 850: trace = 2.412630065341198 (3.47055e-07% change) + iteration 851: trace = 2.412630063457539 (7.80749e-08% change) + iteration 852: trace = 2.412630053762153 (4.0186e-07% change) + iteration 853: trace = 2.412630048321598 (2.25503e-07% change) + iteration 854: trace = 2.412630045257381 (1.27007e-07% change) + iteration 855: trace = 2.412630041065669 (1.7374e-07% change) + iteration 856: trace = 2.412630038318057 (1.13885e-07% change) + iteration 857: trace = 2.412630037536127 (3.24099e-08% change) + iteration 858: trace = 2.412630034494314 (1.26079e-07% change) + iteration 859: trace = 2.412630033857311 (2.64029e-08% change) + iteration 860: trace = 2.412630031833106 (8.39003e-08% change) + iteration 861: trace = 2.412630030880764 (3.94732e-08% change) + iteration 862: trace = 2.412630028555808 (9.6366e-08% change) + iteration 863: trace = 2.412630027988712 (2.35053e-08% change) + iteration 864: trace = 2.412630025663218 (9.63883e-08% change) + iteration 865: trace = 2.412630025091725 (2.36876e-08% change) + iteration 866: trace = 2.412630024162782 (3.85033e-08% change) + iteration 867: trace = 2.41263002216163 (8.29448e-08% change) + iteration 868: trace = 2.41263002142913 (3.03611e-08% change) + iteration 869: trace = 2.412630020100485 (5.50704e-08% change) + iteration 870: trace = 2.412630017366858 (1.13305e-07% change) + iteration 871: trace = 2.412630016594256 (3.20232e-08% change) + iteration 872: trace = 2.412630015217086 (5.70817e-08% change) + iteration 873: trace = 2.412630010033792 (2.1484e-07% change) + iteration 874: trace = 2.412630009030846 (4.15706e-08% change) + iteration 875: trace = 2.412630002411564 (2.7436e-07% change) + iteration 876: trace = 2.412629998567485 (1.59332e-07% change) + iteration 877: trace = 2.412629995969402 (1.07687e-07% change) + iteration 878: trace = 2.412629993214297 (1.14195e-07% change) + iteration 879: trace = 2.412629990592355 (1.08676e-07% change) + iteration 880: trace = 2.412629989706171 (3.6731e-08% change) + iteration 881: trace = 2.412629987909003 (7.449e-08% change) + iteration 882: trace = 2.412629987537219 (1.54099e-08% change) + iteration 883: trace = 2.412629986363408 (4.86528e-08% change) + iteration 884: trace = 2.412629985244909 (4.63601e-08% change) + iteration 885: trace = 2.412629984848637 (1.64249e-08% change) + iteration 886: trace = 2.412629984488173 (1.49407e-08% change) + iteration 887: trace = 2.412629983307073 (4.89549e-08% change) + iteration 888: trace = 2.412629983111064 (8.12427e-09% change) + iteration 889: trace = 2.412629981426182 (6.98359e-08% change) + iteration 890: trace = 2.412629980418751 (4.17566e-08% change) + iteration 891: trace = 2.412629979945374 (1.96208e-08% change) + iteration 892: trace = 2.412629978550877 (5.77999e-08% change) + iteration 893: trace = 2.412629976811689 (7.20868e-08% change) + iteration 894: trace = 2.412629976324011 (2.02135e-08% change) + iteration 895: trace = 2.412629972603427 (1.54213e-07% change) + iteration 896: trace = 2.412629970940874 (6.89104e-08% change) + iteration 897: trace = 2.412629968603403 (9.68848e-08% change) + iteration 898: trace = 2.412629965353526 (1.34703e-07% change) + iteration 899: trace = 2.412629963910795 (5.97991e-08% change) + iteration 900: trace = 2.412629961079445 (1.17355e-07% change) + iteration 901: trace = 2.412629958169416 (1.20616e-07% change) + iteration 902: trace = 2.41262995759825 (2.3674e-08% change) + iteration 903: trace = 2.412629956405665 (4.94309e-08% change) + iteration 904: trace = 2.412629955624552 (3.2376e-08% change) + iteration 905: trace = 2.412629955277288 (1.43936e-08% change) + iteration 906: trace = 2.412629954393255 (3.66419e-08% change) + iteration 907: trace = 2.412629953778055 (2.54992e-08% change) + iteration 908: trace = 2.412629953283864 (2.04835e-08% change) + iteration 909: trace = 2.412629951885751 (5.79498e-08% change) + resetting CG direction... + iteration 910: trace = 2.412629950576627 (5.42613e-08% change) + iteration 911: trace = 2.412629950214641 (1.50038e-08% change) + iteration 912: trace = 2.412629949461614 (3.12119e-08% change) + iteration 913: trace = 2.412629948786269 (2.79921e-08% change) + iteration 914: trace = 2.412629948454444 (1.37537e-08% change) + iteration 915: trace = 2.412629947584657 (3.60514e-08% change) + iteration 916: trace = 2.412629946565547 (4.22406e-08% change) + iteration 917: trace = 2.412629946127599 (1.81523e-08% change) + iteration 918: trace = 2.412629943407206 (1.12756e-07% change) + iteration 919: trace = 2.412629941284454 (8.7985e-08% change) + iteration 920: trace = 2.412629939726483 (6.45756e-08% change) + iteration 921: trace = 2.412629936964538 (1.14479e-07% change) + iteration 922: trace = 2.412629935242811 (7.13631e-08% change) + iteration 923: trace = 2.412629933695711 (6.4125e-08% change) + iteration 924: trace = 2.412629931065277 (1.09028e-07% change) + iteration 925: trace = 2.41262993049792 (2.35161e-08% change) + iteration 926: trace = 2.41262992908993 (5.83592e-08% change) + iteration 927: trace = 2.412629928269236 (3.40166e-08% change) + iteration 928: trace = 2.412629927756456 (2.1254e-08% change) + iteration 929: trace = 2.412629926934472 (3.407e-08% change) + iteration 930: trace = 2.412629925742849 (4.9391e-08% change) + iteration 931: trace = 2.412629925591118 (6.28903e-09% change) + iteration 932: trace = 2.41262992474642 (3.50115e-08% change) + iteration 933: trace = 2.412629924533204 (8.83748e-09% change) + iteration 934: trace = 2.412629924211998 (1.33135e-08% change) + iteration 935: trace = 2.412629923353904 (3.55667e-08% change) + iteration 936: trace = 2.412629923053442 (1.24537e-08% change) + iteration 937: trace = 2.412629922215292 (3.47401e-08% change) + iteration 938: trace = 2.41262992107003 (4.74694e-08% change) + iteration 939: trace = 2.412629920634151 (1.80665e-08% change) + iteration 940: trace = 2.412629919137217 (6.20458e-08% change) + iteration 941: trace = 2.41262991708563 (8.50353e-08% change) + iteration 942: trace = 2.412629916295296 (3.27582e-08% change) + iteration 943: trace = 2.412629912369759 (1.62708e-07% change) + iteration 944: trace = 2.412629909799318 (1.06541e-07% change) + iteration 945: trace = 2.412629907730985 (8.57294e-08% change) + iteration 946: trace = 2.412629904511617 (1.33438e-07% change) + iteration 947: trace = 2.412629903594857 (3.79984e-08% change) + iteration 948: trace = 2.412629903223807 (1.53795e-08% change) + iteration 949: trace = 2.412629901473515 (7.25471e-08% change) + iteration 950: trace = 2.412629900748889 (3.00347e-08% change) + iteration 951: trace = 2.412629900240604 (2.10677e-08% change) + iteration 952: trace = 2.412629899257698 (4.07401e-08% change) + iteration 953: trace = 2.412629898859056 (1.65231e-08% change) + iteration 954: trace = 2.412629898410089 (1.8609e-08% change) + iteration 955: trace = 2.41262989712934 (5.30852e-08% change) + iteration 956: trace = 2.412629896879181 (1.03687e-08% change) + iteration 957: trace = 2.41262989558521 (5.36332e-08% change) + iteration 958: trace = 2.412629895047472 (2.22884e-08% change) + iteration 959: trace = 2.412629894618821 (1.7767e-08% change) + iteration 960: trace = 2.412629893615155 (4.16005e-08% change) + iteration 961: trace = 2.412629892381035 (5.11525e-08% change) + iteration 962: trace = 2.412629891735347 (2.67628e-08% change) + iteration 963: trace = 2.412629890390153 (5.57563e-08% change) + iteration 964: trace = 2.412629888314221 (8.60444e-08% change) + iteration 965: trace = 2.412629887370066 (3.91339e-08% change) + iteration 966: trace = 2.412629884182053 (1.32138e-07% change) + iteration 967: trace = 2.412629880117468 (1.68471e-07% change) + iteration 968: trace = 2.412629879126877 (4.10585e-08% change) + iteration 969: trace = 2.412629875901971 (1.33668e-07% change) + iteration 970: trace = 2.412629875200521 (2.90741e-08% change) + iteration 971: trace = 2.412629874455399 (3.08842e-08% change) + iteration 972: trace = 2.412629872946447 (6.25438e-08% change) + iteration 973: trace = 2.412629872572302 (1.55078e-08% change) + iteration 974: trace = 2.412629871543521 (4.26415e-08% change) + iteration 975: trace = 2.412629870967966 (2.38559e-08% change) + iteration 976: trace = 2.412629870661216 (1.27143e-08% change) + iteration 977: trace = 2.41262986997159 (2.8584e-08% change) + iteration 978: trace = 2.412629869327337 (2.67034e-08% change) + iteration 979: trace = 2.41262986913457 (7.9899e-09% change) + resetting CG direction... + iteration 980: trace = 2.41262986894542 (7.84001e-09% change) + iteration 981: trace = 2.412629868343387 (2.49534e-08% change) + iteration 982: trace = 2.412629867831274 (2.12263e-08% change) + iteration 983: trace = 2.412629867405149 (1.76623e-08% change) + iteration 984: trace = 2.412629866843928 (2.32618e-08% change) + iteration 985: trace = 2.41262986615215 (2.86732e-08% change) + iteration 986: trace = 2.412629865554195 (2.47844e-08% change) + iteration 987: trace = 2.412629864238489 (5.45341e-08% change) + iteration 988: trace = 2.412629863801233 (1.81236e-08% change) + iteration 989: trace = 2.412629862946791 (3.54154e-08% change) + iteration 990: trace = 2.412629860149612 (1.15939e-07% change) + iteration 991: trace = 2.412629859470343 (2.81547e-08% change) + iteration 992: trace = 2.412629856075263 (1.40721e-07% change) + iteration 993: trace = 2.412629854280888 (7.43742e-08% change) + iteration 994: trace = 2.412629853102644 (4.88365e-08% change) + iteration 995: trace = 2.412629851611915 (6.17885e-08% change) + iteration 996: trace = 2.412629850738415 (3.62053e-08% change) + iteration 997: trace = 2.412629850351334 (1.60439e-08% change) + iteration 998: trace = 2.412629849206133 (4.74669e-08% change) + iteration 999: trace = 2.412629848585123 (2.57399e-08% change) + iteration 1000: trace = 2.412629848276497 (1.27921e-08% change) + iteration 1001: trace = 2.412629847935716 (1.41249e-08% change) + iteration 1002: trace = 2.412629847316349 (2.56719e-08% change) + iteration 1003: trace = 2.412629846881538 (1.80223e-08% change) + iteration 1004: trace = 2.412629846041931 (3.48005e-08% change) + iteration 1005: trace = 2.412629845823651 (9.04737e-09% change) + iteration 1006: trace = 2.412629845507417 (1.31074e-08% change) + iteration 1007: trace = 2.412629844794463 (2.95509e-08% change) + iteration 1008: trace = 2.412629844174104 (2.5713e-08% change) + iteration 1009: trace = 2.412629844013514 (6.65623e-09% change) + iteration 1010: trace = 2.412629842965875 (4.34231e-08% change) + iteration 1011: trace = 2.412629842537081 (1.77729e-08% change) + iteration 1012: trace = 2.412629842225222 (1.29261e-08% change) + iteration 1013: trace = 2.412629840378057 (7.65623e-08% change) + iteration 1014: trace = 2.412629839747914 (2.61185e-08% change) + iteration 1015: trace = 2.412629837540407 (9.1498e-08% change) + iteration 1016: trace = 2.412629835404276 (8.85395e-08% change) + iteration 1017: trace = 2.41262983496479 (1.82161e-08% change) + iteration 1018: trace = 2.412629833964365 (4.14661e-08% change) + iteration 1019: trace = 2.412629833148854 (3.38018e-08% change) + iteration 1020: trace = 2.412629832941193 (8.60725e-09% change) + iteration 1021: trace = 2.412629832363091 (2.39615e-08% change) + iteration 1022: trace = 2.412629832034369 (1.3625e-08% change) + iteration 1023: trace = 2.412629831834052 (8.30285e-09% change) + iteration 1024: trace = 2.412629831578063 (1.06104e-08% change) + iteration 1025: trace = 2.412629831237324 (1.41231e-08% change) + iteration 1026: trace = 2.412629831170842 (2.75556e-09% change) + iteration 1027: trace = 2.412629830724162 (1.85142e-08% change) + iteration 1028: trace = 2.412629830459113 (1.09859e-08% change) + iteration 1029: trace = 2.412629830064527 (1.6355e-08% change) + iteration 1030: trace = 2.412629829711679 (1.46251e-08% change) + iteration 1031: trace = 2.412629829499322 (8.80186e-09% change) + iteration 1032: trace = 2.412629829077813 (1.74709e-08% change) + iteration 1033: trace = 2.412629828414001 (2.7514e-08% change) + iteration 1034: trace = 2.41262982822683 (7.75797e-09% change) + iteration 1035: trace = 2.412629826924853 (5.39651e-08% change) + iteration 1036: trace = 2.412629825817178 (4.59115e-08% change) + iteration 1037: trace = 2.412629825192476 (2.5893e-08% change) + iteration 1038: trace = 2.412629824314724 (3.63816e-08% change) + iteration 1039: trace = 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2.412629751425709 (1.02797e-09% change) + resetting CG direction... + iteration 1400: trace = 2.412629751404827 (8.65527e-10% change) + iteration 1401: trace = 2.412629751394072 (4.45759e-10% change) + iteration 1402: trace = 2.412629751358883 (1.45854e-09% change) + iteration 1403: trace = 2.412629751337369 (8.9172e-10% change) + iteration 1404: trace = 2.412629751325884 (4.76038e-10% change) + iteration 1405: trace = 2.412629751269981 (2.31711e-09% change) + iteration 1406: trace = 2.412629751256551 (5.5666e-10% change) + iteration 1407: trace = 2.412629751195781 (2.51879e-09% change) + iteration 1408: trace = 2.412629751151994 (1.81492e-09% change) + iteration 1409: trace = 2.412629751120972 (1.28581e-09% change) + iteration 1410: trace = 2.412629751013695 (4.44651e-09% change) + iteration 1411: trace = 2.412629750881815 (5.46621e-09% change) + iteration 1412: trace = 2.412629750826614 (2.28801e-09% change) + iteration 1413: trace = 2.412629750711333 (4.77822e-09% change) + iteration 1414: trace = 2.412629750650736 (2.51167e-09% change) + iteration 1415: trace = 2.412629750622378 (1.17539e-09% change) + iteration 1416: trace = 2.412629750586436 (1.48978e-09% change) + iteration 1417: trace = 2.412629750548652 (1.56607e-09% change) + iteration 1418: trace = 2.412629750524017 (1.0211e-09% change) + iteration 1419: trace = 2.412629750490547 (1.38725e-09% change) + iteration 1420: trace = 2.412629750482315 (3.41208e-10% change) + iteration 1421: trace = 2.412629750466246 (6.6607e-10% change) + iteration 1422: trace = 2.412629750426306 (1.65544e-09% change) + iteration 1423: trace = 2.412629750420682 (2.33086e-10% change) + iteration 1424: trace = 2.41262975038418 (1.51299e-09% change) + iteration 1425: trace = 2.412629750370505 (5.66802e-10% change) + iteration 1426: trace = 2.412629750353124 (7.20389e-10% change) + iteration 1427: trace = 2.412629750328421 (1.02392e-09% change) + iteration 1428: trace = 2.412629750298005 (1.2607e-09% change) + iteration 1429: trace = 2.412629750290592 (3.07266e-10% change) + iteration 1430: trace = 2.412629750233864 (2.35127e-09% change) + iteration 1431: trace = 2.41262975022336 (4.35396e-10% change) + iteration 1432: trace = 2.412629750173588 (2.06295e-09% change) + iteration 1433: trace = 2.412629750113093 (2.50744e-09% change) + iteration 1434: trace = 2.412629750090538 (9.34902e-10% change) + iteration 1435: trace = 2.41262974998867 (4.22226e-09% change) + iteration 1436: trace = 2.412629749926026 (2.59653e-09% change) + iteration 1437: trace = 2.412629749877474 (2.0124e-09% change) + iteration 1438: trace = 2.412629749815247 (2.57921e-09% change) + iteration 1439: trace = 2.412629749792208 (9.54948e-10% change) + iteration 1440: trace = 2.412629749774666 (7.27071e-10% change) + iteration 1441: trace = 2.412629749750778 (9.90123e-10% change) + iteration 1442: trace = 2.41262974973999 (4.47158e-10% change) + iteration 1443: trace = 2.412629749723333 (6.90404e-10% change) + iteration 1444: trace = 2.412629749707627 (6.50995e-10% change) + iteration 1445: trace = 2.412629749700896 (2.78993e-10% change) + iteration 1446: trace = 2.412629749692261 (3.57921e-10% change) + iteration 1447: trace = 2.412629749673976 (7.57865e-10% change) + iteration 1448: trace = 2.412629749670114 (1.60084e-10% change) + iteration 1449: trace = 2.412629749646311 (9.86607e-10% change) + iteration 1450: trace = 2.412629749634891 (4.73332e-10% change) + iteration 1451: trace = 2.412629749625643 (3.83304e-10% change) + iteration 1452: trace = 2.412629749605701 (8.26597e-10% change) + iteration 1453: trace = 2.412629749588807 (7.00197e-10% change) + iteration 1454: trace = 2.412629749565449 (9.68182e-10% change) + iteration 1455: trace = 2.412629749514529 (2.11053e-09% change) + iteration 1456: trace = 2.412629749498263 (6.74225e-10% change) + iteration 1457: trace = 2.412629749473902 (1.00974e-09% change) + iteration 1458: trace = 2.412629749394534 (3.28967e-09% change) + iteration 1459: trace = 2.41262974938279 (4.86751e-10% change) + iteration 1460: trace = 2.412629749326356 (2.33911e-09% change) + iteration 1461: trace = 2.412629749304157 (9.2014e-10% change) + iteration 1462: trace = 2.412629749273414 (1.27425e-09% change) + iteration 1463: trace = 2.412629749253735 (8.15644e-10% change) + iteration 1464: trace = 2.412629749243894 (4.07914e-10% change) + iteration 1465: trace = 2.412629749233973 (4.11209e-10% change) + iteration 1466: trace = 2.41262974921648 (7.25064e-10% change) + iteration 1467: trace = 2.412629749213132 (1.38751e-10% change) + iteration 1468: trace = 2.412629749197527 (6.46817e-10% change) + iteration 1469: trace = 2.412629749184416 (5.43426e-10% change) + resetting CG direction... + iteration 1470: trace = 2.41262974917759 (2.82932e-10% change) + iteration 1471: trace = 2.41262974916717 (4.31917e-10% change) + iteration 1472: trace = 2.412629749153626 (5.61372e-10% change) + iteration 1473: trace = 2.412629749150923 (1.12043e-10% change) + iteration 1474: trace = 2.412629749133594 (7.18235e-10% change) + iteration 1475: trace = 2.412629749122665 (4.52993e-10% change) + iteration 1476: trace = 2.41262974911356 (3.77396e-10% change) + iteration 1477: trace = 2.412629749092571 (8.69981e-10% change) + iteration 1478: trace = 2.412629749068267 (1.00733e-09% change) + iteration 1479: trace = 2.41262974904582 (9.30393e-10% change) + iteration 1480: trace = 2.412629748992596 (2.20606e-09% change) + iteration 1481: trace = 2.412629748978667 (5.77368e-10% change) + iteration 1482: trace = 2.412629748920428 (2.41389e-09% change) + iteration 1483: trace = 2.412629748898215 (9.20711e-10% change) + iteration 1484: trace = 2.412629748886923 (4.68013e-10% change) + iteration 1485: trace = 2.412629748846002 (1.69612e-09% change) + iteration 1486: trace = 2.412629748817255 (1.19155e-09% change) + iteration 1487: trace = 2.412629748811412 (2.42161e-10% change) + iteration 1488: trace = 2.412629748797328 (5.83773e-10% change) + iteration 1489: trace = 2.412629748787169 (4.21094e-10% change) + iteration 1490: trace = 2.412629748781178 (2.48308e-10% change) + iteration 1491: trace = 2.412629748765911 (6.32772e-10% change) + iteration 1492: trace = 2.41262974875829 (3.1588e-10% change) + iteration 1493: trace = 2.412629748749842 (3.5019e-10% change) + iteration 1494: trace = 2.412629748742539 (3.02664e-10% change) + iteration 1495: trace = 2.412629748730792 (4.86935e-10% change) + iteration 1496: trace = 2.412629748726918 (1.60563e-10% change) + iteration 1497: trace = 2.41262974870795 (7.86194e-10% change) + iteration 1498: trace = 2.412629748702412 (2.29533e-10% change) + iteration 1499: trace = 2.412629748685246 (7.11517e-10% change) + iteration 1500: trace = 2.412629748661416 (9.87712e-10% change) + iteration 1501: trace = 2.412629748642324 (7.91329e-10% change) + iteration 1502: trace = 2.412629748610009 (1.33939e-09% change) + iteration 1503: trace = 2.412629748546226 (2.64374e-09% change) + iteration 1504: trace = 2.412629748534024 (5.05747e-10% change) + iteration 1505: trace = 2.412629748465966 (2.82089e-09% change) + iteration 1506: trace = 2.412629748446787 (7.94955e-10% change) + iteration 1507: trace = 2.412629748419682 (1.12348e-09% change) + iteration 1508: trace = 2.412629748391746 (1.1579e-09% change) + iteration 1509: trace = 2.412629748373084 (7.73493e-10% change) + iteration 1510: trace = 2.412629748355877 (7.13229e-10% change) + iteration 1511: trace = 2.412629748337797 (7.49398e-10% change) + iteration 1512: trace = 2.412629748330925 (2.84809e-10% change) + iteration 1513: trace = 2.412629748320693 (4.24094e-10% change) + iteration 1514: trace = 2.412629748306285 (5.9721e-10% change) + iteration 1515: trace = 2.412629748300372 (2.45087e-10% change) + iteration 1516: trace = 2.412629748284197 (6.70433e-10% change) + iteration 1517: trace = 2.412629748268892 (6.34374e-10% change) + iteration 1518: trace = 2.412629748261832 (2.92595e-10% change) + iteration 1519: trace = 2.41262974825212 (4.02558e-10% change) + iteration 1520: trace = 2.41262974823545 (6.90956e-10% change) + iteration 1521: trace = 2.412629748229628 (2.41295e-10% change) + iteration 1522: trace = 2.412629748200464 (1.20883e-09% change) + iteration 1523: trace = 2.412629748191021 (3.91385e-10% change) + iteration 1524: trace = 2.412629748178722 (5.09796e-10% change) + iteration 1525: trace = 2.412629748138779 (1.65557e-09% change) + iteration 1526: trace = 2.412629748121852 (7.01577e-10% change) + iteration 1527: trace = 2.412629748073086 (2.02127e-09% change) + iteration 1528: trace = 2.412629748003113 (2.90031e-09% change) + iteration 1529: trace = 2.412629747989039 (5.83332e-10% change) + iteration 1530: trace = 2.412629747956998 (1.32807e-09% change) + iteration 1531: trace = 2.4126297479271 (1.23922e-09% change) + iteration 1532: trace = 2.412629747921443 (2.34448e-10% change) + iteration 1533: trace = 2.412629747895189 (1.08819e-09% change) + iteration 1534: trace = 2.41262974788868 (2.69789e-10% change) + iteration 1535: trace = 2.412629747873438 (6.3176e-10% change) + iteration 1536: trace = 2.412629747864305 (3.78574e-10% change) + iteration 1537: trace = 2.412629747857548 (2.80042e-10% change) + iteration 1538: trace = 2.412629747845727 (4.89972e-10% change) + iteration 1539: trace = 2.412629747835714 (4.15038e-10% change) + resetting CG direction... + iteration 1540: trace = 2.412629747832539 (1.31572e-10% change) + iteration 1541: trace = 2.412629747824456 (3.35023e-10% change) + iteration 1542: trace = 2.412629747813166 (4.67976e-10% change) + iteration 1543: trace = 2.412629747808446 (1.95646e-10% change) + iteration 1544: trace = 2.412629747799703 (3.62376e-10% change) + iteration 1545: trace = 2.412629747783149 (6.86152e-10% change) + iteration 1546: trace = 2.412629747777028 (2.53702e-10% change) + iteration 1547: trace = 2.412629747753466 (9.76612e-10% change) + iteration 1548: trace = 2.412629747744437 (3.7423e-10% change) + iteration 1549: trace = 2.412629747731097 (5.52905e-10% change) + iteration 1550: trace = 2.412629747686914 (1.83135e-09% change) + iteration 1551: trace = 2.412629747671466 (6.40282e-10% change) + iteration 1552: trace = 2.41262974761981 (2.14105e-09% change) + iteration 1553: trace = 2.412629747582397 (1.55072e-09% change) + iteration 1554: trace = 2.412629747570688 (4.85333e-10% change) + iteration 1555: trace = 2.412629747547701 (9.52757e-10% change) + iteration 1556: trace = 2.412629747533749 (5.78325e-10% change) + iteration 1557: trace = 2.412629747529434 (1.78841e-10% change) + iteration 1558: trace = 2.412629747509345 (8.32652e-10% change) + iteration 1559: trace = 2.412629747501059 (3.43453e-10% change) + iteration 1560: trace = 2.412629747495166 (2.44241e-10% change) + iteration 1561: trace = 2.412629747489277 (2.44075e-10% change) + iteration 1562: trace = 2.412629747482174 (2.94418e-10% change) + iteration 1563: trace = 2.412629747472679 (3.93557e-10% change) + iteration 1564: trace = 2.412629747459842 (5.32087e-10% change) + iteration 1565: trace = 2.41262974745614 (1.53458e-10% change) + iteration 1566: trace = 2.412629747449817 (2.62077e-10% change) + iteration 1567: trace = 2.412629747439682 (4.20063e-10% change) + iteration 1568: trace = 2.412629747435931 (1.55483e-10% change) + iteration 1569: trace = 2.412629747425245 (4.42906e-10% change) + iteration 1570: trace = 2.412629747408193 (7.06805e-10% change) + iteration 1571: trace = 2.412629747402484 (2.36602e-10% change) + iteration 1572: trace = 2.412629747390988 (4.76498e-10% change) + iteration 1573: trace = 2.412629747367987 (9.53365e-10% change) + iteration 1574: trace = 2.412629747355721 (5.08416e-10% change) + iteration 1575: trace = 2.412629747313669 (1.74298e-09% change) + iteration 1576: trace = 2.412629747303141 (4.36371e-10% change) + iteration 1577: trace = 2.412629747274758 (1.17644e-09% change) + iteration 1578: trace = 2.412629747254666 (8.32781e-10% change) + iteration 1579: trace = 2.412629747248603 (2.5129e-10% change) + iteration 1580: trace = 2.41262974723898 (3.98858e-10% change) + iteration 1581: trace = 2.412629747228467 (4.35745e-10% change) + iteration 1582: trace = 2.412629747226259 (9.15373e-11% change) +Finished solving for bands 1 to 10 after 1582 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: 98.58617734909058 +solve_kpoint (0.333333,0,0): +Solving for bands 1 to 10... linmin: converged after 4 iterations. - iteration 1326: trace = 2.393040601248568 (8.55098e-08% change) + iteration 1: trace = 2.507714363917609 (1.59188% change) linmin: converged after 4 iterations. - iteration 1327: trace = 2.39304059953517 (7.15992e-08% change) - linmin: converged after 15 iterations. - iteration 1328: trace = 2.393040597550162 (8.29492e-08% change) - large trace change predicted (4.12466e-07%) + iteration 2: trace = 2.485279544423769 (0.898652% change) linmin: converged after 4 iterations. - iteration 1329: trace = 2.393040587679593 (4.1247e-07% change) - resetting CG direction... + iteration 3: trace = 2.473300863635973 (0.48315% change) linmin: converged after 4 iterations. - iteration 1330: trace = 2.393040580465429 (3.01464e-07% change) - linmin: converged after 14 iterations. - iteration 1331: trace = 2.393040577823084 (1.10418e-07% change) - linmin: converged after 14 iterations. - iteration 1332: trace = 2.393040576387055 (6.00086e-08% change) + iteration 4: trace = 2.471538964379478 (0.0712621% change) + large trace change predicted (0.219368%) + linmin: converged after 3 iterations. + iteration 5: trace = 2.466059824330364 (0.221935% change) linmin: converged after 4 iterations. - iteration 1333: trace = 2.393040574178111 (9.2307e-08% change) - linmin: converged after 8 iterations. - iteration 1334: trace = 2.393040571499711 (1.11925e-07% change) + iteration 6: trace = 2.464718089129155 (0.0544229% change) linmin: converged after 4 iterations. - iteration 1335: trace = 2.393040569596532 (7.95297e-08% change) - large trace change predicted (2.07021e-07%) - linmin: converged after 9 iterations. - iteration 1336: trace = 2.393040564642132 (2.07034e-07% change) - linmin: converged after 5 iterations. - iteration 1337: trace = 2.393040562209758 (1.01644e-07% change) - large trace change predicted (3.27307e-07%) - linmin: converged after 5 iterations. - iteration 1338: trace = 2.393040554376739 (3.27325e-07% change) - linmin: converged after 6 iterations. - iteration 1339: trace = 2.39304054180474 (5.25357e-07% change) - linmin: converged after 5 iterations. - iteration 1340: trace = 2.393040536268622 (2.31342e-07% change) - large trace change predicted (8.41378e-07%) - linmin: converged after 6 iterations. - iteration 1341: trace = 2.393040516134218 (8.41373e-07% change) + iteration 7: trace = 2.463636371707212 (0.0438977% change) + linmin: converged after 3 iterations. + iteration 8: trace = 2.462593691379256 (0.0423318% change) linmin: converged after 4 iterations. - iteration 1342: trace = 2.393040509658384 (2.70611e-07% change) - large trace change predicted (6.27711e-07%) - linmin: converged after 5 iterations. - iteration 1343: trace = 2.393040494636819 (6.27719e-07% change) + iteration 9: trace = 2.462287554962925 (0.0124322% change) + linmin: converged after 3 iterations. + iteration 10: trace = 2.461752797054809 (0.0217203% change) linmin: converged after 4 iterations. - iteration 1344: trace = 2.393040483906091 (4.48414e-07% change) + iteration 11: trace = 2.461485009148068 (0.0108785% change) + linmin: converged after 3 iterations. + iteration 12: trace = 2.461340756585782 (0.00586056% change) + large trace change predicted (0.0129831%) + linmin: converged after 3 iterations. + iteration 13: trace = 2.461020625487246 (0.0130072% change) + linmin: converged after 3 iterations. + iteration 14: trace = 2.460940280295532 (0.00326476% change) + large trace change predicted (0.00700933%) linmin: converged after 4 iterations. - iteration 1345: trace = 2.393040478143857 (2.40791e-07% change) + iteration 15: trace = 2.460767989358055 (0.00700127% change) linmin: converged after 4 iterations. - iteration 1346: trace = 2.393040468039669 (4.22232e-07% change) + iteration 16: trace = 2.460656075800557 (0.00454802% change) linmin: converged after 4 iterations. - iteration 1347: trace = 2.39304046164321 (2.67294e-07% change) + iteration 17: trace = 2.460571611666895 (0.00343264% change) + linmin: converged after 3 iterations. + iteration 18: trace = 2.460447421708914 (0.00504733% change) linmin: converged after 4 iterations. - iteration 1348: trace = 2.393040455019982 (2.7677e-07% change) + iteration 19: trace = 2.460370246509039 (0.00313668% change) + large trace change predicted (0.00795696%) + linmin: converged after 3 iterations. + iteration 20: trace = 2.460174205225397 (0.00796828% change) linmin: converged after 4 iterations. - iteration 1349: trace = 2.393040446387974 (3.60713e-07% change) + iteration 21: trace = 2.459920163064127 (0.0103267% change) + linmin: converged after 3 iterations. + iteration 22: trace = 2.459713453812252 (0.00840344% change) linmin: converged after 4 iterations. - iteration 1350: trace = 2.39304044186389 (1.89052e-07% change) - linmin: converged after 6 iterations. - iteration 1351: trace = 2.393040433127564 (3.65072e-07% change) + iteration 23: trace = 2.459366107387851 (0.0141224% change) + linmin: converged after 3 iterations. + iteration 24: trace = 2.459092283491975 (0.0111345% change) linmin: converged after 4 iterations. - iteration 1352: trace = 2.393040430405385 (1.13754e-07% change) - large trace change predicted (2.37904e-07%) - linmin: converged after 2 iterations. - iteration 1353: trace = 2.39304042471267 (2.37886e-07% change) + iteration 25: trace = 2.458659454569643 (0.0176027% change) linmin: converged after 4 iterations. - iteration 1354: trace = 2.393040418036548 (2.78981e-07% change) + iteration 26: trace = 2.458376391376185 (0.0115136% change) linmin: converged after 4 iterations. - iteration 1355: trace = 2.393040414749368 (1.37364e-07% change) - large trace change predicted (3.46598e-07%) + iteration 27: trace = 2.458263275058491 (0.00460137% change) + large trace change predicted (0.0113347%) linmin: converged after 4 iterations. - iteration 1356: trace = 2.393040406455357 (3.46589e-07% change) + iteration 28: trace = 2.457986916082757 (0.0112427% change) linmin: converged after 4 iterations. - iteration 1357: trace = 2.393040402297147 (1.73763e-07% change) - large trace change predicted (4.16905e-07%) + iteration 29: trace = 2.457774958223064 (0.0086236% change) linmin: converged after 4 iterations. - iteration 1358: trace = 2.393040392320467 (4.16904e-07% change) + iteration 30: trace = 2.457672140005799 (0.00418347% change) linmin: converged after 4 iterations. - iteration 1359: trace = 2.393040386980613 (2.23141e-07% change) - large trace change predicted (7.85649e-07%) - linmin: converged after 5 iterations. - iteration 1360: trace = 2.393040368179305 (7.85666e-07% change) + iteration 31: trace = 2.457501325367528 (0.0069505% change) linmin: converged after 4 iterations. - iteration 1361: trace = 2.393040352236456 (6.66217e-07% change) - linmin: converged after 13 iterations. - iteration 1362: trace = 2.393040327731612 (1.024e-06% change) + iteration 32: trace = 2.457365304701954 (0.00553507% change) linmin: converged after 4 iterations. - iteration 1363: trace = 2.393040306640131 (8.81368e-07% change) + iteration 33: trace = 2.457316821253416 (0.001973% change) + large trace change predicted (0.00496174%) linmin: converged after 4 iterations. - iteration 1364: trace = 2.393040292668296 (5.83853e-07% change) - linmin: converged after 9 iterations. - iteration 1365: trace = 2.393040273055593 (8.19573e-07% change) + iteration 34: trace = 2.457195336093895 (0.00494394% change) linmin: converged after 4 iterations. - iteration 1366: trace = 2.39304026730585 (2.40269e-07% change) + iteration 35: trace = 2.457143857289953 (0.00209504% change) linmin: converged after 4 iterations. - iteration 1367: trace = 2.393040258702672 (3.59508e-07% change) + iteration 36: trace = 2.457081823691257 (0.00252465% change) linmin: converged after 3 iterations. - iteration 1368: trace = 2.393040254815388 (1.62441e-07% change) - large trace change predicted (3.27987e-07%) - linmin: converged after 4 iterations. - iteration 1369: trace = 2.393040246966732 (3.27978e-07% change) - linmin: converged after 12 iterations. - iteration 1370: trace = 2.393040243101726 (1.6151e-07% change) + iteration 37: trace = 2.457026352120752 (0.00225765% change) + linmin: converged after 3 iterations. + iteration 38: trace = 2.456984202678664 (0.00171548% change) + linmin: converged after 3 iterations. + iteration 39: trace = 2.456939080682682 (0.0018365% change) + linmin: converged after 3 iterations. + iteration 40: trace = 2.456869278118896 (0.00284108% change) linmin: converged after 4 iterations. - iteration 1371: trace = 2.393040235708201 (3.0896e-07% change) - linmin: converged after 11 iterations. - iteration 1372: trace = 2.393040230937914 (1.9934e-07% change) + iteration 41: trace = 2.45683280066192 (0.00148472% change) + linmin: converged after 3 iterations. + iteration 42: trace = 2.456763350050867 (0.00282688% change) + linmin: converged after 3 iterations. + iteration 43: trace = 2.456634340773333 (0.00525133% change) + linmin: converged after 3 iterations. + iteration 44: trace = 2.456572526782573 (0.00251624% change) + linmin: converged after 3 iterations. + iteration 45: trace = 2.456460695028179 (0.00455245% change) + large trace change predicted (0.00975461%) linmin: converged after 4 iterations. - iteration 1373: trace = 2.393040224500106 (2.69022e-07% change) - linmin: converged after 14 iterations. - iteration 1374: trace = 2.393040220421217 (1.70448e-07% change) + iteration 46: trace = 2.456218420802912 (0.00986322% change) linmin: converged after 4 iterations. - iteration 1375: trace = 2.393040215926551 (1.87822e-07% change) + iteration 47: trace = 2.456161530116816 (0.00231622% change) + large trace change predicted (0.0100928%) linmin: converged after 4 iterations. - iteration 1376: trace = 2.393040210289981 (2.3554e-07% change) + iteration 48: trace = 2.455910759176613 (0.0102104% change) + linmin: converged after 3 iterations. + iteration 49: trace = 2.455766777329577 (0.00586284% change) + linmin: converged after 3 iterations. + iteration 50: trace = 2.455707982554027 (0.00239418% change) + large trace change predicted (0.00907587%) + linmin: converged after 3 iterations. + iteration 51: trace = 2.455484380433263 (0.00910582% change) linmin: converged after 3 iterations. - iteration 1377: trace = 2.393040207044586 (1.35618e-07% change) - large trace change predicted (3.54976e-07%) + iteration 52: trace = 2.455407215146693 (0.00314262% change) linmin: converged after 4 iterations. - iteration 1378: trace = 2.393040198549409 (3.54995e-07% change) + iteration 53: trace = 2.455345590689628 (0.00250978% change) + large trace change predicted (0.00508846%) + linmin: converged after 3 iterations. + iteration 54: trace = 2.455220360250985 (0.00510045% change) linmin: converged after 5 iterations. - iteration 1379: trace = 2.393040191185979 (3.07702e-07% change) - linmin: converged after 10 iterations. - iteration 1380: trace = 2.393040180878069 (4.30745e-07% change) + iteration 55: trace = 2.45517995300365 (0.00164578% change) + linmin: converged after 3 iterations. + iteration 56: trace = 2.455132661938481 (0.00192619% change) + linmin: converged after 3 iterations. + iteration 57: trace = 2.455083574496963 (0.0019994% change) + linmin: converged after 3 iterations. + iteration 58: trace = 2.455066558339762 (0.000693101% change) linmin: converged after 4 iterations. - iteration 1381: trace = 2.393040166052206 (6.19541e-07% change) - linmin: converged after 5 iterations. - iteration 1382: trace = 2.393040151916325 (5.90708e-07% change) + iteration 59: trace = 2.455039772065833 (0.00109107% change) + linmin: converged after 3 iterations. + iteration 60: trace = 2.455008282695029 (0.00128265% change) linmin: converged after 4 iterations. - iteration 1383: trace = 2.393040131334559 (8.60068e-07% change) + iteration 61: trace = 2.454994992893558 (0.000541336% change) + large trace change predicted (0.00171732%) + linmin: converged after 3 iterations. + iteration 62: trace = 2.454952765306833 (0.00172008% change) + linmin: converged after 3 iterations. + iteration 63: trace = 2.454877108881034 (0.00308183% change) + linmin: converged after 3 iterations. + iteration 64: trace = 2.454854811366118 (0.000908299% change) + large trace change predicted (0.00569405%) + linmin: converged after 6 iterations. + iteration 65: trace = 2.454715225059096 (0.00568629% change) + linmin: converged after 3 iterations. + iteration 66: trace = 2.454625406688392 (0.00365908% change) linmin: converged after 4 iterations. - iteration 1384: trace = 2.393040102936467 (1.1867e-06% change) + iteration 67: trace = 2.454575784943763 (0.00202158% change) + large trace change predicted (0.00626588%) linmin: converged after 4 iterations. - iteration 1385: trace = 2.393040086361743 (6.92622e-07% change) + iteration 68: trace = 2.454422466133812 (0.00624644% change) linmin: converged after 4 iterations. - iteration 1386: trace = 2.393040060741587 (1.07061e-06% change) - linmin: converged after 12 iterations. - iteration 1387: trace = 2.393040044306737 (6.86777e-07% change) + iteration 69: trace = 2.454353957693638 (0.00279126% change) + resetting CG direction... + linmin: converged after 3 iterations. + iteration 70: trace = 2.454327434088448 (0.00108068% change) linmin: converged after 4 iterations. - iteration 1388: trace = 2.393040035905734 (3.5106e-07% change) + iteration 71: trace = 2.454277818946054 (0.00202156% change) + linmin: converged after 3 iterations. + iteration 72: trace = 2.454243460804026 (0.00139994% change) linmin: converged after 4 iterations. - iteration 1389: trace = 2.393040029733259 (2.57934e-07% change) - linmin: converged after 4 iterations. - iteration 1390: trace = 2.393040024374545 (2.23929e-07% change) - linmin: converged after 5 iterations. - iteration 1391: trace = 2.393040019852315 (1.88974e-07% change) - linmin: converged after 8 iterations. - iteration 1392: trace = 2.393040015705451 (1.73289e-07% change) - linmin: converged after 8 iterations. - iteration 1393: trace = 2.393040013171896 (1.05872e-07% change) - linmin: converged after 4 iterations. - iteration 1394: trace = 2.393040009440699 (1.55919e-07% change) - linmin: converged after 5 iterations. - iteration 1395: trace = 2.393040007625822 (7.58398e-08% change) - large trace change predicted (3.22288e-07%) - linmin: converged after 4 iterations. - iteration 1396: trace = 2.393039999913313 (3.22289e-07% change) - linmin: converged after 5 iterations. - iteration 1397: trace = 2.393039995345873 (1.90864e-07% change) - large trace change predicted (5.44068e-07%) - linmin: converged after 4 iterations. - iteration 1398: trace = 2.39303998232581 (5.4408e-07% change) - linmin: converged after 4 iterations. - iteration 1399: trace = 2.393039973329971 (3.75917e-07% change) - resetting CG direction... - linmin: converged after 4 iterations. - iteration 1400: trace = 2.393039966046413 (3.04364e-07% change) - linmin: converged after 4 iterations. - iteration 1401: trace = 2.393039959739344 (2.63559e-07% change) - linmin: converged after 4 iterations. - iteration 1402: trace = 2.393039951297119 (3.52782e-07% change) - linmin: converged after 12 iterations. - iteration 1403: trace = 2.39303994944239 (7.75052e-08% change) - large trace change predicted (1.97152e-07%) - linmin: converged after 5 iterations. - iteration 1404: trace = 2.393039944724751 (1.9714e-07% change) - linmin: converged after 11 iterations. - iteration 1405: trace = 2.393039941961282 (1.15479e-07% change) - large trace change predicted (2.69752e-07%) - linmin: converged after 4 iterations. - iteration 1406: trace = 2.393039935505679 (2.69766e-07% change) - linmin: converged after 4 iterations. - iteration 1407: trace = 2.393039928260118 (3.02776e-07% change) - linmin: converged after 4 iterations. - iteration 1408: trace = 2.393039924873118 (1.41535e-07% change) - large trace change predicted (3.03458e-07%) - linmin: converged after 5 iterations. - iteration 1409: trace = 2.393039917611174 (3.03461e-07% change) - linmin: converged after 4 iterations. - iteration 1410: trace = 2.393039907854973 (4.07691e-07% change) - linmin: converged after 4 iterations. - iteration 1411: trace = 2.393039901783208 (2.53726e-07% change) - linmin: converged after 4 iterations. - iteration 1412: trace = 2.39303989149737 (4.29823e-07% change) - linmin: converged after 4 iterations. - iteration 1413: trace = 2.393039885759657 (2.39767e-07% change) - linmin: converged after 4 iterations. - iteration 1414: trace = 2.393039877549211 (3.43097e-07% change) - linmin: converged after 6 iterations. - iteration 1415: trace = 2.393039862599887 (6.247e-07% change) - linmin: converged after 4 iterations. - iteration 1416: trace = 2.393039855733734 (2.86922e-07% change) - large trace change predicted (7.28544e-07%) - linmin: converged after 4 iterations. - iteration 1417: trace = 2.393039838299295 (7.28548e-07% change) - linmin: converged after 4 iterations. - iteration 1418: trace = 2.393039825994102 (5.14208e-07% change) - linmin: converged after 4 iterations. - iteration 1419: trace = 2.393039817924723 (3.37202e-07% change) - linmin: converged after 17 iterations. - iteration 1420: trace = 2.393039808595072 (3.89866e-07% change) - linmin: converged after 4 iterations. - iteration 1421: trace = 2.393039805693648 (1.21244e-07% change) - linmin: converged after 4 iterations. - iteration 1422: trace = 2.393039802246433 (1.44052e-07% change) - linmin: converged after 4 iterations. - iteration 1423: trace = 2.39303979895529 (1.3753e-07% change) - linmin: converged after 11 iterations. - iteration 1424: trace = 2.393039798255055 (2.92613e-08% change) - large trace change predicted (1.17993e-07%) + iteration 73: trace = 2.454222699070947 (0.000845956% change) linmin: converged after 3 iterations. - iteration 1425: trace = 2.393039795431879 (1.17974e-07% change) - linmin: converged after 3 iterations. - iteration 1426: trace = 2.393039794552078 (3.6765e-08% change) - large trace change predicted (1.13789e-07%) - linmin: converged after 4 iterations. - iteration 1427: trace = 2.393039791828929 (1.13795e-07% change) - linmin: converged after 12 iterations. - iteration 1428: trace = 2.393039788130563 (1.54547e-07% change) - linmin: converged after 7 iterations. - iteration 1429: trace = 2.393039785570439 (1.06982e-07% change) - large trace change predicted (3.96916e-07%) - linmin: converged after 4 iterations. - iteration 1430: trace = 2.393039776071572 (3.96937e-07% change) + iteration 74: trace = 2.45418526491802 (0.00152531% change) linmin: converged after 4 iterations. - iteration 1431: trace = 2.393039766972256 (3.80241e-07% change) + iteration 75: trace = 2.454171036986978 (0.000579743% change) linmin: converged after 3 iterations. - iteration 1432: trace = 2.393039760834495 (2.56484e-07% change) + iteration 76: trace = 2.45415307968887 (0.000731708% change) linmin: converged after 4 iterations. - iteration 1433: trace = 2.393039751063575 (4.08306e-07% change) - linmin: converged after 5 iterations. - iteration 1434: trace = 2.393039748442839 (1.09515e-07% change) - linmin: converged after 4 iterations. - iteration 1435: trace = 2.393039744679854 (1.57247e-07% change) - linmin: converged after 4 iterations. - iteration 1436: trace = 2.393039739195992 (2.29159e-07% change) - linmin: converged after 5 iterations. - iteration 1437: trace = 2.393039737673612 (6.3617e-08% change) - large trace change predicted (1.63285e-07%) + iteration 77: trace = 2.454135792045856 (0.000704426% change) linmin: converged after 3 iterations. - iteration 1438: trace = 2.393039733765839 (1.63297e-07% change) - linmin: converged after 4 iterations. - iteration 1439: trace = 2.393039730832399 (1.22582e-07% change) - linmin: converged after 4 iterations. - iteration 1440: trace = 2.39303972807751 (1.15121e-07% change) + iteration 78: trace = 2.454128158684473 (0.000311041% change) + linmin: converged after 6 iterations. + iteration 79: trace = 2.454117036245301 (0.000453214% change) linmin: converged after 4 iterations. - iteration 1441: trace = 2.393039726446243 (6.81672e-08% change) + iteration 80: trace = 2.454101267283599 (0.000642553% change) linmin: converged after 3 iterations. - iteration 1442: trace = 2.393039725614436 (3.47594e-08% change) + iteration 81: trace = 2.454095772342584 (0.000223909% change) + large trace change predicted (0.000569216%) linmin: converged after 3 iterations. - iteration 1443: trace = 2.393039723965023 (6.89254e-08% change) - linmin: converged after 4 iterations. - iteration 1444: trace = 2.393039723039279 (3.86849e-08% change) - linmin: converged after 19 iterations. - iteration 1445: trace = 2.393039721569313 (6.14267e-08% change) - linmin: converged after 4 iterations. - iteration 1446: trace = 2.393039719204475 (9.88215e-08% change) - linmin: converged after 18 iterations. - iteration 1447: trace = 2.393039717647883 (6.50466e-08% change) - large trace change predicted (1.47227e-07%) - linmin: converged after 7 iterations. - iteration 1448: trace = 2.393039714124905 (1.47218e-07% change) - linmin: converged after 5 iterations. - iteration 1449: trace = 2.393039712100749 (8.45852e-08% change) - linmin: converged after 14 iterations. - iteration 1450: trace = 2.393039708097894 (1.67271e-07% change) - linmin: converged after 5 iterations. - iteration 1451: trace = 2.393039705040056 (1.2778e-07% change) - linmin: converged after 17 iterations. - iteration 1452: trace = 2.393039701713394 (1.39014e-07% change) - linmin: converged after 4 iterations. - iteration 1453: trace = 2.393039698511534 (1.33799e-07% change) - linmin: converged after 4 iterations. - iteration 1454: trace = 2.393039696323006 (9.14539e-08% change) - linmin: converged after 5 iterations. - iteration 1455: trace = 2.393039694318851 (8.37493e-08% change) - linmin: converged after 7 iterations. - iteration 1456: trace = 2.393039693207895 (4.64245e-08% change) + iteration 82: trace = 2.45408180476214 (0.000569155% change) linmin: converged after 3 iterations. - iteration 1457: trace = 2.393039692001463 (5.04142e-08% change) - linmin: converged after 13 iterations. - iteration 1458: trace = 2.3930396914881 (2.14523e-08% change) - large trace change predicted (5.20299e-08%) - linmin: converged after 4 iterations. - iteration 1459: trace = 2.393039690243272 (5.20187e-08% change) - linmin: converged after 7 iterations. - iteration 1460: trace = 2.393039689909187 (1.39607e-08% change) - large trace change predicted (4.96809e-08%) - linmin: converged after 5 iterations. - iteration 1461: trace = 2.393039688720449 (4.96749e-08% change) - linmin: converged after 5 iterations. - iteration 1462: trace = 2.393039688437892 (1.18074e-08% change) - large trace change predicted (3.87266e-08%) - linmin: converged after 9 iterations. - iteration 1463: trace = 2.39303968751105 (3.87307e-08% change) - linmin: converged after 5 iterations. - iteration 1464: trace = 2.393039687181636 (1.37655e-08% change) - large trace change predicted (5.81374e-08%) + iteration 83: trace = 2.454062727819298 (0.000777359% change) linmin: converged after 4 iterations. - iteration 1465: trace = 2.393039685790283 (5.81416e-08% change) - linmin: converged after 4 iterations. - iteration 1466: trace = 2.393039684776068 (4.23819e-08% change) - linmin: converged after 4 iterations. - iteration 1467: trace = 2.393039683264678 (6.31578e-08% change) - linmin: converged after 15 iterations. - iteration 1468: trace = 2.393039682871513 (1.64295e-08% change) - large trace change predicted (7.14962e-08%) - linmin: converged after 4 iterations. - iteration 1469: trace = 2.393039681160638 (7.14938e-08% change) - resetting CG direction... - linmin: converged after 4 iterations. - iteration 1470: trace = 2.393039680166377 (4.1548e-08% change) - linmin: converged after 4 iterations. - iteration 1471: trace = 2.393039679550376 (2.57414e-08% change) - linmin: converged after 4 iterations. - iteration 1472: trace = 2.393039678583452 (4.04057e-08% change) - linmin: converged after 4 iterations. - iteration 1473: trace = 2.393039677720533 (3.60596e-08% change) - linmin: converged after 7 iterations. - iteration 1474: trace = 2.393039676021905 (7.0982e-08% change) - linmin: converged after 4 iterations. - iteration 1475: trace = 2.393039674815157 (5.04274e-08% change) - linmin: converged after 12 iterations. - iteration 1476: trace = 2.393039674327643 (2.03722e-08% change) - linmin: converged after 4 iterations. - iteration 1477: trace = 2.393039673442761 (3.69773e-08% change) - linmin: converged after 5 iterations. - iteration 1478: trace = 2.393039673065327 (1.57722e-08% change) - large trace change predicted (4.16376e-08%) - linmin: converged after 5 iterations. - iteration 1479: trace = 2.393039672069202 (4.16259e-08% change) - linmin: converged after 15 iterations. - iteration 1480: trace = 2.393039671024631 (4.36504e-08% change) - linmin: converged after 4 iterations. - iteration 1481: trace = 2.393039670556782 (1.95504e-08% change) - large trace change predicted (7.13355e-08%) - linmin: converged after 4 iterations. - iteration 1482: trace = 2.393039668849255 (7.13539e-08% change) - linmin: converged after 4 iterations. - iteration 1483: trace = 2.39303966816326 (2.86663e-08% change) - large trace change predicted (1.1222e-07%) - linmin: converged after 7 iterations. - iteration 1484: trace = 2.393039665477931 (1.12214e-07% change) - linmin: converged after 4 iterations. - iteration 1485: trace = 2.393039663357443 (8.86107e-08% change) - linmin: converged after 4 iterations. - iteration 1486: trace = 2.393039660253508 (1.29707e-07% change) - linmin: converged after 4 iterations. - iteration 1487: trace = 2.393039656745905 (1.46575e-07% change) - linmin: converged after 4 iterations. - iteration 1488: trace = 2.393039655535391 (5.05848e-08% change) - large trace change predicted (1.63161e-07%) - linmin: converged after 4 iterations. - iteration 1489: trace = 2.393039651630815 (1.63164e-07% change) - linmin: converged after 5 iterations. - iteration 1490: trace = 2.393039650422425 (5.0496e-08% change) - linmin: converged after 4 iterations. - iteration 1491: trace = 2.39303964816717 (9.42423e-08% change) + iteration 84: trace = 2.454051481754784 (0.000458264% change) linmin: converged after 3 iterations. - iteration 1492: trace = 2.393039647215166 (3.97822e-08% change) - linmin: converged after 4 iterations. - iteration 1493: trace = 2.393039646510904 (2.94296e-08% change) - linmin: converged after 5 iterations. - iteration 1494: trace = 2.393039645285069 (5.1225e-08% change) - linmin: converged after 12 iterations. - iteration 1495: trace = 2.393039644921993 (1.51722e-08% change) - large trace change predicted (6.48959e-08%) - linmin: converged after 6 iterations. - iteration 1496: trace = 2.393039643368809 (6.49042e-08% change) - linmin: converged after 6 iterations. - iteration 1497: trace = 2.393039642777997 (2.46887e-08% change) - large trace change predicted (6.67852e-08%) - linmin: converged after 14 iterations. - iteration 1498: trace = 2.393039641180009 (6.67765e-08% change) - linmin: converged after 4 iterations. - iteration 1499: trace = 2.393039639338971 (7.6933e-08% change) - linmin: converged after 7 iterations. - iteration 1500: trace = 2.393039638168414 (4.89151e-08% change) - large trace change predicted (1.15279e-07%) - linmin: converged after 4 iterations. - iteration 1501: trace = 2.393039635409903 (1.15272e-07% change) - linmin: converged after 22 iterations. - iteration 1502: trace = 2.393039634096779 (5.48726e-08% change) - linmin: converged after 4 iterations. - iteration 1503: trace = 2.39303963164951 (1.02266e-07% change) - linmin: converged after 4 iterations. - iteration 1504: trace = 2.393039628167269 (1.45515e-07% change) - linmin: converged after 4 iterations. - iteration 1505: trace = 2.393039625680733 (1.03907e-07% change) - linmin: converged after 4 iterations. - iteration 1506: trace = 2.393039621200853 (1.87205e-07% change) - linmin: converged after 4 iterations. - iteration 1507: trace = 2.393039618457916 (1.14621e-07% change) - linmin: converged after 4 iterations. - iteration 1508: trace = 2.393039613353535 (2.13301e-07% change) - linmin: converged after 5 iterations. - iteration 1509: trace = 2.393039610233413 (1.30383e-07% change) + iteration 85: trace = 2.454031348524945 (0.000820411% change) linmin: converged after 6 iterations. - iteration 1510: trace = 2.39303960787677 (9.84791e-08% change) + iteration 86: trace = 2.454004491551996 (0.00109441% change) linmin: converged after 3 iterations. - iteration 1511: trace = 2.393039606170299 (7.13098e-08% change) + iteration 87: trace = 2.453991742599111 (0.000519518% change) + large trace change predicted (0.0013853%) linmin: converged after 4 iterations. - iteration 1512: trace = 2.39303960506194 (4.6316e-08% change) + iteration 88: trace = 2.453957758711453 (0.00138485% change) linmin: converged after 3 iterations. - iteration 1513: trace = 2.393039604076756 (4.11687e-08% change) - linmin: converged after 15 iterations. - iteration 1514: trace = 2.393039603610784 (1.94719e-08% change) - large trace change predicted (4.11258e-08%) - linmin: converged after 6 iterations. - iteration 1515: trace = 2.393039602626793 (4.11189e-08% change) - linmin: converged after 4 iterations. - iteration 1516: trace = 2.393039601960144 (2.78578e-08% change) - linmin: converged after 10 iterations. - iteration 1517: trace = 2.393039600735031 (5.11949e-08% change) - linmin: converged after 15 iterations. - iteration 1518: trace = 2.393039598961888 (7.40958e-08% change) - linmin: converged after 4 iterations. - iteration 1519: trace = 2.393039597182844 (7.43424e-08% change) - linmin: converged after 4 iterations. - iteration 1520: trace = 2.393039594250012 (1.22557e-07% change) - linmin: converged after 4 iterations. - iteration 1521: trace = 2.393039592350489 (7.9377e-08% change) - large trace change predicted (2.98063e-07%) - linmin: converged after 4 iterations. - iteration 1522: trace = 2.393039585217721 (2.98063e-07% change) - linmin: converged after 4 iterations. - iteration 1523: trace = 2.39303958290277 (9.67369e-08% change) - large trace change predicted (2.63499e-07%) - linmin: converged after 4 iterations. - iteration 1524: trace = 2.393039576596954 (2.63507e-07% change) - linmin: converged after 10 iterations. - iteration 1525: trace = 2.393039573924609 (1.11672e-07% change) - linmin: converged after 5 iterations. - iteration 1526: trace = 2.393039571534072 (9.98954e-08% change) - linmin: converged after 4 iterations. - iteration 1527: trace = 2.393039568020138 (1.4684e-07% change) - linmin: converged after 4 iterations. - iteration 1528: trace = 2.393039566869273 (4.80922e-08% change) - large trace change predicted (1.29764e-07%) - linmin: converged after 5 iterations. - iteration 1529: trace = 2.393039563763715 (1.29775e-07% change) - linmin: converged after 15 iterations. - iteration 1530: trace = 2.393039562685905 (4.50394e-08% change) - large trace change predicted (1.04735e-07%) - linmin: converged after 4 iterations. - iteration 1531: trace = 2.393039560179912 (1.0472e-07% change) - linmin: converged after 22 iterations. - iteration 1532: trace = 2.393039559216768 (4.02477e-08% change) - large trace change predicted (9.04954e-08%) - linmin: converged after 8 iterations. - iteration 1533: trace = 2.393039557051122 (9.04977e-08% change) - linmin: converged after 15 iterations. - iteration 1534: trace = 2.393039555727502 (5.53112e-08% change) - linmin: converged after 4 iterations. - iteration 1535: trace = 2.393039555042599 (2.86206e-08% change) - large trace change predicted (6.66918e-08%) - linmin: converged after 5 iterations. - iteration 1536: trace = 2.393039553446658 (6.6691e-08% change) - linmin: converged after 4 iterations. - iteration 1537: trace = 2.393039552997829 (1.87556e-08% change) - large trace change predicted (4.05058e-08%) - linmin: converged after 15 iterations. - iteration 1538: trace = 2.393039552028569 (4.05033e-08% change) + iteration 89: trace = 2.453919223385673 (0.00157035% change) linmin: converged after 3 iterations. - iteration 1539: trace = 2.393039551435999 (2.47623e-08% change) - resetting CG direction... + iteration 90: trace = 2.453894852019475 (0.000993166% change) + linmin: converged after 11 iterations. + iteration 91: trace = 2.453860666436078 (0.00139312% change) linmin: converged after 6 iterations. - iteration 1540: trace = 2.393039551045645 (1.6312e-08% change) - linmin: converged after 4 iterations. - iteration 1541: trace = 2.393039550378476 (2.78796e-08% change) - linmin: converged after 4 iterations. - iteration 1542: trace = 2.393039549516678 (3.60127e-08% change) - linmin: converged after 5 iterations. - iteration 1543: trace = 2.393039548997058 (2.17138e-08% change) - large trace change predicted (7.18249e-08%) + iteration 92: trace = 2.453827806431907 (0.00133912% change) + linmin: converged after 3 iterations. + iteration 93: trace = 2.453820615826988 (0.000293037% change) + large trace change predicted (0.00127937%) linmin: converged after 4 iterations. - iteration 1544: trace = 2.393039547278004 (7.18356e-08% change) - linmin: converged after 9 iterations. - iteration 1545: trace = 2.393039546349622 (3.87951e-08% change) + iteration 94: trace = 2.45378922464061 (0.00127929% change) linmin: converged after 4 iterations. - iteration 1546: trace = 2.393039544672926 (7.00655e-08% change) + iteration 95: trace = 2.45378229766578 (0.000282297% change) + large trace change predicted (0.000822322%) linmin: converged after 4 iterations. - iteration 1547: trace = 2.393039543099079 (6.57677e-08% change) + iteration 96: trace = 2.453762134672089 (0.000821714% change) + linmin: converged after 3 iterations. + iteration 97: trace = 2.453746598699637 (0.000633151% change) + linmin: converged after 3 iterations. + iteration 98: trace = 2.453734052163949 (0.000511323% change) linmin: converged after 4 iterations. - iteration 1548: trace = 2.393039542073008 (4.28773e-08% change) - large trace change predicted (9.84477e-08%) - linmin: converged after 5 iterations. - iteration 1549: trace = 2.39303953971701 (9.84521e-08% change) + iteration 99: trace = 2.453728006882295 (0.000246371% change) + large trace change predicted (0.00052707%) + linmin: converged after 3 iterations. + iteration 100: trace = 2.453715072187693 (0.000527146% change) linmin: converged after 4 iterations. - iteration 1550: trace = 2.39303953811054 (6.71309e-08% change) - linmin: converged after 10 iterations. - iteration 1551: trace = 2.39303953611149 (8.3536e-08% change) + iteration 101: trace = 2.453708763717953 (0.000257099% change) linmin: converged after 4 iterations. - iteration 1552: trace = 2.393039533750612 (9.86561e-08% change) - linmin: converged after 5 iterations. - iteration 1553: trace = 2.393039532245778 (6.28838e-08% change) - large trace change predicted (1.54698e-07%) + iteration 102: trace = 2.45370143923803 (0.000298507% change) + large trace change predicted (0.000652127%) linmin: converged after 4 iterations. - iteration 1554: trace = 2.393039528544007 (1.54689e-07% change) + iteration 103: trace = 2.45368544486141 (0.000651849% change) linmin: converged after 3 iterations. - iteration 1555: trace = 2.393039526941381 (6.69703e-08% change) + iteration 104: trace = 2.453674592289774 (0.000442298% change) + large trace change predicted (0.000946118%) linmin: converged after 3 iterations. - iteration 1556: trace = 2.393039523805046 (1.31061e-07% change) - linmin: converged after 5 iterations. - iteration 1557: trace = 2.393039521291419 (1.05039e-07% change) - linmin: converged after 6 iterations. - iteration 1558: trace = 2.393039520186697 (4.6164e-08% change) + iteration 105: trace = 2.453651388653868 (0.000945673% change) + large trace change predicted (0.00211052%) linmin: converged after 3 iterations. - iteration 1559: trace = 2.393039518274729 (7.98971e-08% change) - linmin: converged after 6 iterations. - iteration 1560: trace = 2.393039517758407 (2.1576e-08% change) - large trace change predicted (4.57378e-08%) - linmin: converged after 7 iterations. - iteration 1561: trace = 2.393039516663837 (4.57397e-08% change) - linmin: converged after 12 iterations. - iteration 1562: trace = 2.393039516187216 (1.9917e-08% change) - linmin: converged after 4 iterations. - iteration 1563: trace = 2.393039515981591 (8.59262e-09% change) - large trace change predicted (2.97848e-08%) + iteration 106: trace = 2.453599446668351 (0.00211695% change) + linmin: converged after 27 iterations. + iteration 107: trace = 2.453582941228589 (0.000672705% change) + large trace change predicted (0.00178867%) linmin: converged after 3 iterations. - iteration 1564: trace = 2.393039515268685 (2.97908e-08% change) - linmin: converged after 7 iterations. - iteration 1565: trace = 2.39303951479569 (1.97654e-08% change) + iteration 108: trace = 2.453538879966251 (0.00179581% change) linmin: converged after 3 iterations. - iteration 1566: trace = 2.3930395140593 (3.07722e-08% change) + iteration 109: trace = 2.453478022900081 (0.00248041% change) linmin: converged after 3 iterations. - iteration 1567: trace = 2.393039513181621 (3.66763e-08% change) - linmin: converged after 11 iterations. - iteration 1568: trace = 2.393039512646754 (2.23509e-08% change) - large trace change predicted (4.88222e-08%) - linmin: converged after 5 iterations. - iteration 1569: trace = 2.393039511478558 (4.88164e-08% change) - linmin: converged after 4 iterations. - iteration 1570: trace = 2.393039509732215 (7.29759e-08% change) - linmin: converged after 4 iterations. - iteration 1571: trace = 2.393039509176642 (2.32162e-08% change) - large trace change predicted (7.76329e-08%) - linmin: converged after 4 iterations. - iteration 1572: trace = 2.39303950731891 (7.76306e-08% change) - linmin: converged after 5 iterations. - iteration 1573: trace = 2.393039506243734 (4.49293e-08% change) - linmin: converged after 5 iterations. - iteration 1574: trace = 2.393039505347019 (3.74718e-08% change) - linmin: converged after 8 iterations. - iteration 1575: trace = 2.393039503784988 (6.52739e-08% change) - linmin: converged after 6 iterations. - iteration 1576: trace = 2.393039502734971 (4.3878e-08% change) + iteration 110: trace = 2.453464877287651 (0.000535796% change) + large trace change predicted (0.002219%) + linmin: converged after 3 iterations. + iteration 111: trace = 2.453410348244864 (0.00222256% change) + linmin: converged after 3 iterations. + iteration 112: trace = 2.45338591500349 (0.000995894% change) + linmin: converged after 3 iterations. + iteration 113: trace = 2.453376498731379 (0.000383808% change) + large trace change predicted (0.00113129%) linmin: converged after 3 iterations. - iteration 1577: trace = 2.393039501388015 (5.62864e-08% change) + iteration 114: trace = 2.453348743004856 (0.00113133% change) linmin: converged after 4 iterations. - iteration 1578: trace = 2.393039500304252 (4.52882e-08% change) + iteration 115: trace = 2.453338485165539 (0.000418117% change) linmin: converged after 4 iterations. - iteration 1579: trace = 2.393039500081274 (9.31778e-09% change) - large trace change predicted (2.11524e-08%) + iteration 116: trace = 2.453328354533359 (0.000412933% change) linmin: converged after 4 iterations. - iteration 1580: trace = 2.393039499575118 (2.11512e-08% change) + iteration 117: trace = 2.453315714061024 (0.000515239% change) linmin: converged after 3 iterations. - iteration 1581: trace = 2.393039499291119 (1.18677e-08% change) - linmin: converged after 4 iterations. - iteration 1582: trace = 2.393039499169742 (5.07205e-09% change) - large trace change predicted (1.38671e-08%) + iteration 118: trace = 2.453301853209796 (0.000564986% change) linmin: converged after 3 iterations. - iteration 1583: trace = 2.393039498838404 (1.38459e-08% change) - linmin: converged after 5 iterations. - iteration 1584: trace = 2.393039498665226 (7.23675e-09% change) - large trace change predicted (2.0901e-08%) - linmin: converged after 8 iterations. - iteration 1585: trace = 2.393039498164887 (2.09081e-08% change) - linmin: converged after 15 iterations. - iteration 1586: trace = 2.393039497398028 (3.20454e-08% change) + iteration 119: trace = 2.453296131392966 (0.000233229% change) + large trace change predicted (0.000597064%) linmin: converged after 5 iterations. - iteration 1587: trace = 2.393039496949947 (1.87243e-08% change) - linmin: converged after 12 iterations. - iteration 1588: trace = 2.393039496108023 (3.51822e-08% change) - linmin: converged after 12 iterations. - iteration 1589: trace = 2.393039494922017 (4.95607e-08% change) - linmin: converged after 4 iterations. - iteration 1590: trace = 2.393039494217895 (2.94238e-08% change) - linmin: converged after 5 iterations. - iteration 1591: trace = 2.393039493122616 (4.57693e-08% change) - linmin: converged after 5 iterations. - iteration 1592: trace = 2.393039492864662 (1.07794e-08% change) - large trace change predicted (2.54462e-08%) + iteration 120: trace = 2.453281480866717 (0.000597179% change) linmin: converged after 3 iterations. - iteration 1593: trace = 2.393039492255582 (2.54521e-08% change) + iteration 121: trace = 2.453275558336801 (0.000241413% change) linmin: converged after 3 iterations. - iteration 1594: trace = 2.393039491909563 (1.44594e-08% change) + iteration 122: trace = 2.453263886003566 (0.000475787% change) linmin: converged after 3 iterations. - iteration 1595: trace = 2.393039491767119 (5.95242e-09% change) - large trace change predicted (1.2642e-08%) - linmin: converged after 6 iterations. - iteration 1596: trace = 2.39303949146463 (1.26404e-08% change) + iteration 123: trace = 2.453247167016434 (0.000681502% change) linmin: converged after 4 iterations. - iteration 1597: trace = 2.393039491352178 (4.69914e-09% change) - large trace change predicted (1.16861e-08%) + iteration 124: trace = 2.453236940938393 (0.000416839% change) + large trace change predicted (0.00104303%) linmin: converged after 3 iterations. - iteration 1598: trace = 2.393039491072554 (1.16849e-08% change) + iteration 125: trace = 2.453211303707601 (0.00104504% change) linmin: converged after 3 iterations. - iteration 1599: trace = 2.393039490909507 (6.81338e-09% change) + iteration 126: trace = 2.453161997983162 (0.00200986% change) linmin: converged after 3 iterations. - iteration 1600: trace = 2.393039490781077 (5.36682e-09% change) - large trace change predicted (1.15925e-08%) - linmin: converged after 13 iterations. - iteration 1601: trace = 2.393039490503157 (1.16137e-08% change) - linmin: converged after 12 iterations. - iteration 1602: trace = 2.393039490349005 (6.44167e-09% change) - large trace change predicted (1.48413e-08%) - linmin: converged after 15 iterations. - iteration 1603: trace = 2.393039489993615 (1.4851e-08% change) - linmin: converged after 5 iterations. - iteration 1604: trace = 2.393039489802804 (7.9736e-09% change) - linmin: converged after 4 iterations. - iteration 1605: trace = 2.39303948955998 (1.01471e-08% change) - linmin: converged after 4 iterations. - iteration 1606: trace = 2.393039489352978 (8.65019e-09% change) - large trace change predicted (1.80773e-08%) - linmin: converged after 4 iterations. - iteration 1607: trace = 2.393039488920519 (1.80715e-08% change) - large trace change predicted (5.41189e-08%) - linmin: converged after 9 iterations. - iteration 1608: trace = 2.393039487625458 (5.41178e-08% change) - linmin: converged after 4 iterations. - iteration 1609: trace = 2.393039486940449 (2.86251e-08% change) - resetting CG direction... - linmin: converged after 5 iterations. - iteration 1610: trace = 2.393039486293925 (2.70169e-08% change) - linmin: converged after 4 iterations. - iteration 1611: trace = 2.393039485388955 (3.78167e-08% change) - linmin: converged after 16 iterations. - iteration 1612: trace = 2.393039484755132 (2.64861e-08% change) - linmin: converged after 5 iterations. - iteration 1613: trace = 2.393039484581986 (7.23542e-09% change) - linmin: converged after 12 iterations. - iteration 1614: trace = 2.393039484270076 (1.3034e-08% change) - linmin: converged after 4 iterations. - iteration 1615: trace = 2.3930394840887 (7.57933e-09% change) - linmin: converged after 8 iterations. - iteration 1616: trace = 2.393039483826325 (1.09641e-08% change) - linmin: converged after 4 iterations. - iteration 1617: trace = 2.393039483556265 (1.12852e-08% change) - linmin: converged after 4 iterations. - iteration 1618: trace = 2.393039483413313 (5.97367e-09% change) + iteration 127: trace = 2.453138230597003 (0.000968852% change) + large trace change predicted (0.00310245%) + linmin: converged after 6 iterations. + iteration 128: trace = 2.453061828683623 (0.0031145% change) + linmin: converged after 3 iterations. + iteration 129: trace = 2.452970170662999 (0.00373654% change) linmin: converged after 4 iterations. - iteration 1619: trace = 2.393039483222195 (7.98642e-09% change) + iteration 130: trace = 2.452951972493093 (0.000741886% change) linmin: converged after 3 iterations. - iteration 1620: trace = 2.393039482975173 (1.03225e-08% change) + iteration 131: trace = 2.452919352781192 (0.00132982% change) linmin: converged after 3 iterations. - iteration 1621: trace = 2.393039482905158 (2.92576e-09% change) - large trace change predicted (1.03505e-08%) - linmin: converged after 4 iterations. - iteration 1622: trace = 2.393039482657469 (1.03504e-08% change) - linmin: converged after 4 iterations. - iteration 1623: trace = 2.393039482463617 (8.1007e-09% change) - linmin: converged after 15 iterations. - iteration 1624: trace = 2.39303948231253 (6.31359e-09% change) - large trace change predicted (1.79524e-08%) - linmin: converged after 10 iterations. - iteration 1625: trace = 2.393039481882585 (1.79665e-08% change) - linmin: converged after 15 iterations. - iteration 1626: trace = 2.393039481512064 (1.54833e-08% change) + iteration 132: trace = 2.452896832253614 (0.000918115% change) linmin: converged after 3 iterations. - iteration 1627: trace = 2.393039481125546 (1.61518e-08% change) - large trace change predicted (4.33055e-08%) - linmin: converged after 11 iterations. - iteration 1628: trace = 2.393039480089096 (4.3311e-08% change) - linmin: converged after 4 iterations. - iteration 1629: trace = 2.393039479778296 (1.29876e-08% change) - large trace change predicted (4.01142e-08%) + iteration 133: trace = 2.45289008346736 (0.000275136% change) + large trace change predicted (0.00126219%) linmin: converged after 3 iterations. - iteration 1630: trace = 2.393039478818425 (4.0111e-08% change) + iteration 134: trace = 2.45285910891267 (0.00126279% change) + linmin: converged after 3 iterations. + iteration 135: trace = 2.452842694030968 (0.000669216% change) linmin: converged after 4 iterations. - iteration 1631: trace = 2.393039478251282 (2.36997e-08% change) + iteration 136: trace = 2.45282879484542 (0.000566658% change) linmin: converged after 5 iterations. - iteration 1632: trace = 2.393039477978005 (1.14197e-08% change) - linmin: converged after 4 iterations. - iteration 1633: trace = 2.393039477457784 (2.17389e-08% change) - linmin: converged after 12 iterations. - iteration 1634: trace = 2.393039477370332 (3.65444e-09% change) - large trace change predicted (1.15765e-08%) - linmin: converged after 4 iterations. - iteration 1635: trace = 2.39303947709371 (1.15594e-08% change) - linmin: converged after 18 iterations. - iteration 1636: trace = 2.393039476968507 (5.23196e-09% change) + iteration 137: trace = 2.452814289396827 (0.000591378% change) linmin: converged after 7 iterations. - iteration 1637: trace = 2.393039476828804 (5.83787e-09% change) - linmin: converged after 13 iterations. - iteration 1638: trace = 2.393039476564597 (1.10407e-08% change) - linmin: converged after 15 iterations. - iteration 1639: trace = 2.393039476411133 (6.41293e-09% change) - large trace change predicted (1.87805e-08%) + iteration 138: trace = 2.452797960643687 (0.000665717% change) linmin: converged after 3 iterations. - iteration 1640: trace = 2.393039475961852 (1.87745e-08% change) - linmin: converged after 4 iterations. - iteration 1641: trace = 2.393039475097981 (3.60993e-08% change) - linmin: converged after 4 iterations. - iteration 1642: trace = 2.393039474596353 (2.0962e-08% change) - linmin: converged after 8 iterations. - iteration 1643: trace = 2.393039473609147 (4.12532e-08% change) + iteration 139: trace = 2.452782887480074 (0.000614531% change) + resetting CG direction... linmin: converged after 5 iterations. - iteration 1644: trace = 2.39303947320107 (1.70527e-08% change) + iteration 140: trace = 2.452772803376282 (0.00041113% change) + linmin: converged after 3 iterations. + iteration 141: trace = 2.45276552365196 (0.000296796% change) + linmin: converged after 3 iterations. + iteration 142: trace = 2.452757376657958 (0.000332156% change) + linmin: converged after 3 iterations. + iteration 143: trace = 2.452750458861812 (0.000282042% change) linmin: converged after 6 iterations. - iteration 1645: trace = 2.393039472392492 (3.37887e-08% change) - linmin: converged after 4 iterations. - iteration 1646: trace = 2.393039471941734 (1.88362e-08% change) - linmin: converged after 4 iterations. - iteration 1647: trace = 2.393039471307997 (2.64825e-08% change) - linmin: converged after 13 iterations. - iteration 1648: trace = 2.393039470715139 (2.47743e-08% change) + iteration 144: trace = 2.452740219106023 (0.000417481% change) + linmin: converged after 3 iterations. + iteration 145: trace = 2.452727577766921 (0.000515398% change) linmin: converged after 4 iterations. - iteration 1649: trace = 2.393039470151842 (2.3539e-08% change) - linmin: converged after 12 iterations. - iteration 1650: trace = 2.393039469530336 (2.59714e-08% change) + iteration 146: trace = 2.452721517060454 (0.000247101% change) + large trace change predicted (0.000694235%) linmin: converged after 5 iterations. - iteration 1651: trace = 2.393039469337136 (8.07342e-09% change) - large trace change predicted (2.03484e-08%) + iteration 147: trace = 2.452704490204091 (0.000694205% change) linmin: converged after 6 iterations. - iteration 1652: trace = 2.393039468849951 (2.03584e-08% change) - linmin: converged after 4 iterations. - iteration 1653: trace = 2.393039468640968 (8.73295e-09% change) - linmin: converged after 4 iterations. - iteration 1654: trace = 2.393039468430554 (8.79275e-09% change) - linmin: converged after 15 iterations. - iteration 1655: trace = 2.393039468148006 (1.18071e-08% change) + iteration 148: trace = 2.452684109346527 (0.000830958% change) + linmin: converged after 3 iterations. + iteration 149: trace = 2.45267600659627 (0.000330363% change) + large trace change predicted (0.00096315%) linmin: converged after 4 iterations. - iteration 1656: trace = 2.393039468004484 (5.9975e-09% change) - linmin: converged after 9 iterations. - iteration 1657: trace = 2.393039467735419 (1.12436e-08% change) - linmin: converged after 10 iterations. - iteration 1658: trace = 2.393039467579606 (6.51112e-09% change) - large trace change predicted (1.33822e-08%) - linmin: converged after 10 iterations. - iteration 1659: trace = 2.393039467259216 (1.33884e-08% change) + iteration 150: trace = 2.452652440790433 (0.000960825% change) linmin: converged after 4 iterations. - iteration 1660: trace = 2.393039466723111 (2.24027e-08% change) - linmin: converged after 5 iterations. - iteration 1661: trace = 2.393039466303676 (1.75273e-08% change) - large trace change predicted (5.62128e-08%) + iteration 151: trace = 2.452626675831422 (0.0010505% change) linmin: converged after 4 iterations. - iteration 1662: trace = 2.393039464958745 (5.62018e-08% change) - linmin: converged after 5 iterations. - iteration 1663: trace = 2.393039464571325 (1.61895e-08% change) - large trace change predicted (4.31953e-08%) - linmin: converged after 8 iterations. - iteration 1664: trace = 2.393039463537659 (4.31947e-08% change) + iteration 152: trace = 2.452616312664273 (0.000422534% change) linmin: converged after 5 iterations. - iteration 1665: trace = 2.393039462371855 (4.87165e-08% change) - linmin: converged after 4 iterations. - iteration 1666: trace = 2.39303946193583 (1.82206e-08% change) - large trace change predicted (4.27269e-08%) - linmin: converged after 11 iterations. - iteration 1667: trace = 2.393039460913331 (4.2728e-08% change) - linmin: converged after 4 iterations. - iteration 1668: trace = 2.39303946070726 (8.61129e-09% change) - large trace change predicted (3.3899e-08%) + iteration 153: trace = 2.452596875847664 (0.000792496% change) linmin: converged after 4 iterations. - iteration 1669: trace = 2.393039459895986 (3.39014e-08% change) + iteration 154: trace = 2.452582938956927 (0.000568252% change) linmin: converged after 4 iterations. - iteration 1670: trace = 2.393039459494159 (1.67915e-08% change) + iteration 155: trace = 2.45257819567636 (0.0001934% change) + large trace change predicted (0.00038896%) linmin: converged after 4 iterations. - iteration 1671: trace = 2.393039459126877 (1.53479e-08% change) - linmin: converged after 3 iterations. - iteration 1672: trace = 2.393039458664493 (1.93221e-08% change) - linmin: converged after 12 iterations. - iteration 1673: trace = 2.393039458473856 (7.96629e-09% change) - large trace change predicted (1.65994e-08%) - linmin: converged after 6 iterations. - iteration 1674: trace = 2.393039458075997 (1.66257e-08% change) - linmin: converged after 18 iterations. - iteration 1675: trace = 2.393039457904847 (7.15202e-09% change) - linmin: converged after 7 iterations. - iteration 1676: trace = 2.393039457600002 (1.27388e-08% change) - linmin: converged after 9 iterations. - iteration 1677: trace = 2.393039457434273 (6.92547e-09% change) + iteration 156: trace = 2.452568658155018 (0.000388878% change) linmin: converged after 3 iterations. - iteration 1678: trace = 2.393039457323234 (4.64007e-09% change) + iteration 157: trace = 2.452560141972029 (0.000347236% change) linmin: converged after 3 iterations. - iteration 1679: trace = 2.393039457118042 (8.57455e-09% change) - resetting CG direction... - linmin: converged after 4 iterations. - iteration 1680: trace = 2.393039457014609 (4.32224e-09% change) + iteration 158: trace = 2.45255815874728 (8.08635e-05% change) + large trace change predicted (0.000298697%) linmin: converged after 3 iterations. - iteration 1681: trace = 2.393039456904316 (4.60889e-09% change) - linmin: converged after 7 iterations. - iteration 1682: trace = 2.393039456708687 (8.17493e-09% change) + iteration 159: trace = 2.452550835291326 (0.000298605% change) linmin: converged after 3 iterations. - iteration 1683: trace = 2.393039456565813 (5.97041e-09% change) - large trace change predicted (1.5105e-08%) - linmin: converged after 6 iterations. - iteration 1684: trace = 2.393039456204738 (1.50885e-08% change) - linmin: converged after 4 iterations. - iteration 1685: trace = 2.393039456046751 (6.60194e-09% change) - large trace change predicted (1.70597e-08%) - linmin: converged after 12 iterations. - iteration 1686: trace = 2.393039455638738 (1.705e-08% change) - linmin: converged after 4 iterations. - iteration 1687: trace = 2.393039455243519 (1.65154e-08% change) - linmin: converged after 4 iterations. - iteration 1688: trace = 2.393039455056417 (7.81859e-09% change) - large trace change predicted (1.86223e-08%) - linmin: converged after 9 iterations. - iteration 1689: trace = 2.393039454611054 (1.86108e-08% change) - linmin: converged after 4 iterations. - iteration 1690: trace = 2.393039454171322 (1.83754e-08% change) - linmin: converged after 9 iterations. - iteration 1691: trace = 2.393039453818564 (1.4741e-08% change) - large trace change predicted (3.11372e-08%) - linmin: converged after 7 iterations. - iteration 1692: trace = 2.393039453074008 (3.11134e-08% change) + iteration 160: trace = 2.452546516548606 (0.000176092% change) linmin: converged after 5 iterations. - iteration 1693: trace = 2.393039452797738 (1.15447e-08% change) - large trace change predicted (3.30116e-08%) + iteration 161: trace = 2.452544731705568 (7.27751e-05% change) + large trace change predicted (0.0002006%) linmin: converged after 3 iterations. - iteration 1694: trace = 2.393039452007406 (3.30263e-08% change) - linmin: converged after 6 iterations. - iteration 1695: trace = 2.393039451439866 (2.37163e-08% change) - linmin: converged after 6 iterations. - iteration 1696: trace = 2.393039451134685 (1.27529e-08% change) - large trace change predicted (2.85332e-08%) - linmin: converged after 16 iterations. - iteration 1697: trace = 2.393039450452045 (2.85261e-08% change) - linmin: converged after 6 iterations. - iteration 1698: trace = 2.393039450265314 (7.80309e-09% change) - linmin: converged after 7 iterations. - iteration 1699: trace = 2.393039449921884 (1.43512e-08% change) - linmin: converged after 4 iterations. - iteration 1700: trace = 2.393039449775002 (6.13787e-09% change) - linmin: converged after 12 iterations. - iteration 1701: trace = 2.393039449638505 (5.7039e-09% change) + iteration 162: trace = 2.452539811604692 (0.000200612% change) linmin: converged after 3 iterations. - iteration 1702: trace = 2.393039449532193 (4.44258e-09% change) - linmin: converged after 4 iterations. - iteration 1703: trace = 2.393039449473548 (2.45063e-09% change) - large trace change predicted (6.5718e-09%) - linmin: converged after 6 iterations. - iteration 1704: trace = 2.393039449316916 (6.54534e-09% change) + iteration 163: trace = 2.452536449870153 (0.000137072% change) linmin: converged after 4 iterations. - iteration 1705: trace = 2.393039449232301 (3.53584e-09% change) + iteration 164: trace = 2.452531629428298 (0.000196549% change) linmin: converged after 3 iterations. - iteration 1706: trace = 2.393039449109216 (5.14346e-09% change) - linmin: converged after 4 iterations. - iteration 1707: trace = 2.393039448870016 (9.99568e-09% change) - linmin: converged after 5 iterations. - iteration 1708: trace = 2.393039448784958 (3.55436e-09% change) - large trace change predicted (1.22669e-08%) - linmin: converged after 4 iterations. - iteration 1709: trace = 2.39303944849109 (1.22801e-08% change) + iteration 165: trace = 2.452526029823324 (0.00022832% change) linmin: converged after 3 iterations. - iteration 1710: trace = 2.393039448213335 (1.16068e-08% change) - linmin: converged after 4 iterations. - iteration 1711: trace = 2.393039448070876 (5.95305e-09% change) - large trace change predicted (1.67228e-08%) - linmin: converged after 15 iterations. - iteration 1712: trace = 2.393039447670758 (1.67201e-08% change) - linmin: converged after 8 iterations. - iteration 1713: trace = 2.393039447560109 (4.62378e-09% change) - large trace change predicted (1.78453e-08%) - linmin: converged after 4 iterations. - iteration 1714: trace = 2.39303944713308 (1.78447e-08% change) - linmin: converged after 9 iterations. - iteration 1715: trace = 2.393039446935062 (8.27475e-09% change) - linmin: converged after 4 iterations. - iteration 1716: trace = 2.393039446642102 (1.22422e-08% change) - linmin: converged after 10 iterations. - iteration 1717: trace = 2.393039446359064 (1.18276e-08% change) + iteration 166: trace = 2.452518518253304 (0.000306279% change) + linmin: converged after 6 iterations. + iteration 167: trace = 2.452512970550986 (0.000226205% change) + large trace change predicted (0.00077294%) linmin: converged after 3 iterations. - iteration 1718: trace = 2.393039446286803 (3.01963e-09% change) - large trace change predicted (7.52314e-09%) - linmin: converged after 4 iterations. - iteration 1719: trace = 2.393039446107193 (7.50552e-09% change) - linmin: converged after 12 iterations. - iteration 1720: trace = 2.393039446075387 (1.32909e-09% change) - large trace change predicted (4.15695e-09%) + iteration 168: trace = 2.452493985739537 (0.000774099% change) linmin: converged after 3 iterations. - iteration 1721: trace = 2.393039445975782 (4.16227e-09% change) + iteration 169: trace = 2.452489158028382 (0.000196849% change) + large trace change predicted (0.000665033%) linmin: converged after 3 iterations. - iteration 1722: trace = 2.393039445953484 (9.31793e-10% change) - large trace change predicted (2.28144e-09%) + iteration 170: trace = 2.452472827796593 (0.000665866% change) linmin: converged after 3 iterations. - iteration 1723: trace = 2.393039445898906 (2.28072e-09% change) - linmin: converged after 4 iterations. - iteration 1724: trace = 2.393039445864279 (1.44697e-09% change) - linmin: converged after 6 iterations. - iteration 1725: trace = 2.393039445815468 (2.03971e-09% change) + iteration 171: trace = 2.45245667083842 (0.000658805% change) linmin: converged after 3 iterations. - iteration 1726: trace = 2.39303944578284 (1.36344e-09% change) - large trace change predicted (5.70781e-09%) + iteration 172: trace = 2.452450638280321 (0.000245981% change) + large trace change predicted (0.000626957%) linmin: converged after 3 iterations. - iteration 1727: trace = 2.393039445646182 (5.71066e-09% change) + iteration 173: trace = 2.452435248183233 (0.000627541% change) linmin: converged after 3 iterations. - iteration 1728: trace = 2.393039445598301 (2.00086e-09% change) - large trace change predicted (6.80709e-09%) + iteration 174: trace = 2.45242269294766 (0.000511951% change) linmin: converged after 3 iterations. - iteration 1729: trace = 2.393039445435487 (6.80364e-09% change) + iteration 175: trace = 2.452419055470656 (0.000148322% change) + large trace change predicted (0.000390597%) + linmin: converged after 4 iterations. + iteration 176: trace = 2.45240947447324 (0.000390676% change) linmin: converged after 3 iterations. - iteration 1730: trace = 2.39303944531831 (4.89657e-09% change) - linmin: converged after 5 iterations. - iteration 1731: trace = 2.393039445228778 (3.74135e-09% change) - large trace change predicted (7.71732e-09%) + iteration 177: trace = 2.452400247264976 (0.000376251% change) + linmin: converged after 4 iterations. + iteration 178: trace = 2.452397856390885 (9.74912e-05% change) + large trace change predicted (0.00025872%) + linmin: converged after 4 iterations. + iteration 179: trace = 2.452391510802054 (0.000258751% change) linmin: converged after 3 iterations. - iteration 1732: trace = 2.393039445044142 (7.71556e-09% change) + iteration 180: trace = 2.452387322266773 (0.000170794% change) linmin: converged after 3 iterations. - iteration 1733: trace = 2.393039444971511 (3.03509e-09% change) + iteration 181: trace = 2.452386094298605 (5.00724e-05% change) + large trace change predicted (0.000181459%) linmin: converged after 3 iterations. - iteration 1734: trace = 2.393039444840666 (5.46774e-09% change) + iteration 182: trace = 2.452381644078769 (0.000181465% change) linmin: converged after 3 iterations. - iteration 1735: trace = 2.393039444714778 (5.2606e-09% change) + iteration 183: trace = 2.452377769037691 (0.000158011% change) + linmin: converged after 2 iterations. + iteration 184: trace = 2.45237691905409 (3.46596e-05% change) + large trace change predicted (0.000153854%) linmin: converged after 3 iterations. - iteration 1736: trace = 2.393039444675937 (1.62308e-09% change) + iteration 185: trace = 2.452373146090448 (0.000153849% change) linmin: converged after 4 iterations. - iteration 1737: trace = 2.393039444603462 (3.02859e-09% change) + iteration 186: trace = 2.452368851021828 (0.000175139% change) linmin: converged after 3 iterations. - iteration 1738: trace = 2.393039444523325 (3.34873e-09% change) + iteration 187: trace = 2.452366984391806 (7.61154e-05% change) + large trace change predicted (0.000415528%) linmin: converged after 3 iterations. - iteration 1739: trace = 2.393039444493621 (1.24128e-09% change) - linmin: converged after 6 iterations. - iteration 1740: trace = 2.393039444443883 (2.07844e-09% change) - linmin: converged after 6 iterations. - iteration 1741: trace = 2.393039444382688 (2.55719e-09% change) + iteration 188: trace = 2.452356795364527 (0.000415478% change) linmin: converged after 4 iterations. - iteration 1742: trace = 2.39303944436344 (8.04339e-10% change) + iteration 189: trace = 2.45234889983484 (0.000321957% change) linmin: converged after 3 iterations. - iteration 1743: trace = 2.393039444345386 (7.54438e-10% change) + iteration 190: trace = 2.452345730809505 (0.000129224% change) + large trace change predicted (0.000554029%) linmin: converged after 3 iterations. - iteration 1744: trace = 2.393039444310664 (1.45096e-09% change) + iteration 191: trace = 2.452332151832409 (0.000553715% change) linmin: converged after 3 iterations. - iteration 1745: trace = 2.393039444292932 (7.41003e-10% change) + iteration 192: trace = 2.452323812957391 (0.000340039% change) + linmin: converged after 5 iterations. + iteration 193: trace = 2.452318197335118 (0.000228992% change) linmin: converged after 3 iterations. - iteration 1746: trace = 2.393039444278023 (6.23014e-10% change) - large trace change predicted (1.26916e-09%) + iteration 194: trace = 2.452310586468593 (0.000310354% change) + linmin: converged after 4 iterations. + iteration 195: trace = 2.452304507145318 (0.000247902% change) linmin: converged after 3 iterations. - iteration 1747: trace = 2.39303944424796 (1.25625e-09% change) + iteration 196: trace = 2.452300480306817 (0.000164206% change) linmin: converged after 3 iterations. - iteration 1748: trace = 2.393039444228026 (8.33011e-10% change) + iteration 197: trace = 2.452293922570562 (0.000267412% change) + linmin: converged after 8 iterations. + iteration 198: trace = 2.452292262317486 (6.77021e-05% change) + large trace change predicted (0.000183639%) + linmin: converged after 7 iterations. + iteration 199: trace = 2.452287759506066 (0.000183617% change) linmin: converged after 5 iterations. - iteration 1749: trace = 2.393039444218437 (4.00694e-10% change) - resetting CG direction... - large trace change predicted (9.52251e-10%) + iteration 200: trace = 2.452285198848926 (0.000104419% change) + linmin: converged after 5 iterations. + iteration 201: trace = 2.452283728787786 (5.99466e-05% change) linmin: converged after 4 iterations. - iteration 1750: trace = 2.393039444195666 (9.51556e-10% change) + iteration 202: trace = 2.452281403875756 (9.4806e-05% change) + linmin: converged after 3 iterations. + iteration 203: trace = 2.45227838227321 (0.000123216% change) linmin: converged after 3 iterations. - iteration 1751: trace = 2.393039444177546 (7.57185e-10% change) + iteration 204: trace = 2.452277252210785 (4.60822e-05% change) + large trace change predicted (0.000105632%) linmin: converged after 3 iterations. - iteration 1752: trace = 2.393039444146321 (1.30484e-09% change) + iteration 205: trace = 2.452274661428063 (0.000105648% change) + linmin: converged after 3 iterations. + iteration 206: trace = 2.452269734080585 (0.00020093% change) + linmin: converged after 4 iterations. + iteration 207: trace = 2.452267873680585 (7.58644e-05% change) + large trace change predicted (0.000293765%) linmin: converged after 5 iterations. - iteration 1753: trace = 2.39303944413465 (4.87692e-10% change) - large trace change predicted (1.82599e-09%) + iteration 208: trace = 2.4522606648557 (0.000293966% change) linmin: converged after 3 iterations. - iteration 1754: trace = 2.393039444090912 (1.82775e-09% change) + iteration 209: trace = 2.452248861366646 (0.000481332% change) + resetting CG direction... + linmin: converged after 4 iterations. + iteration 210: trace = 2.452242960093489 (0.000240648% change) linmin: converged after 3 iterations. - iteration 1755: trace = 2.393039444061502 (1.22897e-09% change) + iteration 211: trace = 2.45223744143046 (0.000225046% change) linmin: converged after 3 iterations. - iteration 1756: trace = 2.393039444020474 (1.71446e-09% change) + iteration 212: trace = 2.452232986369008 (0.000181673% change) linmin: converged after 3 iterations. - iteration 1757: trace = 2.393039443954934 (2.73878e-09% change) - linmin: converged after 12 iterations. - iteration 1758: trace = 2.393039443919599 (1.47657e-09% change) - large trace change predicted (4.02759e-09%) + iteration 213: trace = 2.452231254595016 (7.06203e-05% change) + large trace change predicted (0.000161064%) linmin: converged after 3 iterations. - iteration 1759: trace = 2.393039443823342 (4.0224e-09% change) - linmin: converged after 10 iterations. - iteration 1760: trace = 2.393039443738229 (3.55666e-09% change) + iteration 214: trace = 2.452227305604208 (0.000161037% change) linmin: converged after 4 iterations. - iteration 1761: trace = 2.393039443622853 (4.8213e-09% change) - large trace change predicted (9.66329e-09%) - linmin: converged after 9 iterations. - iteration 1762: trace = 2.393039443391864 (9.65256e-09% change) - linmin: converged after 3 iterations. - iteration 1763: trace = 2.393039443336197 (2.32621e-09% change) - large trace change predicted (5.4175e-09%) + iteration 215: trace = 2.452224764276015 (0.000103634% change) linmin: converged after 4 iterations. - iteration 1764: trace = 2.393039443206546 (5.41785e-09% change) + iteration 216: trace = 2.452223820028463 (3.85058e-05% change) + large trace change predicted (9.27691e-05%) linmin: converged after 3 iterations. - iteration 1765: trace = 2.393039443122075 (3.52983e-09% change) + iteration 217: trace = 2.452221545035839 (9.27727e-05% change) linmin: converged after 3 iterations. - iteration 1766: trace = 2.393039443038401 (3.49657e-09% change) - large trace change predicted (7.6054e-09%) - linmin: converged after 6 iterations. - iteration 1767: trace = 2.393039442856517 (7.60054e-09% change) - linmin: converged after 10 iterations. - iteration 1768: trace = 2.3930394428069 (2.07338e-09% change) - large trace change predicted (7.19913e-09%) + iteration 218: trace = 2.45221903527182 (0.000102347% change) + linmin: converged after 2 iterations. + iteration 219: trace = 2.452218222651267 (3.31382e-05% change) + large trace change predicted (7.32904e-05%) linmin: converged after 4 iterations. - iteration 1769: trace = 2.393039442634707 (7.19561e-09% change) + iteration 220: trace = 2.452216425221609 (7.32981e-05% change) linmin: converged after 3 iterations. - iteration 1770: trace = 2.393039442581494 (2.22366e-09% change) + iteration 221: trace = 2.452213386283023 (0.000123926% change) linmin: converged after 4 iterations. - iteration 1771: trace = 2.393039442523689 (2.41552e-09% change) - linmin: converged after 3 iterations. - iteration 1772: trace = 2.393039442439991 (3.49758e-09% change) + iteration 222: trace = 2.452212609649221 (3.16707e-05% change) + large trace change predicted (0.000167224%) linmin: converged after 4 iterations. - iteration 1773: trace = 2.393039442413424 (1.11017e-09% change) - large trace change predicted (2.75507e-09%) - linmin: converged after 6 iterations. - iteration 1774: trace = 2.393039442347044 (2.77389e-09% change) - linmin: converged after 6 iterations. - iteration 1775: trace = 2.393039442328087 (7.92166e-10% change) - large trace change predicted (3.22877e-09%) - linmin: converged after 3 iterations. - iteration 1776: trace = 2.393039442250741 (3.23211e-09% change) - linmin: converged after 6 iterations. - iteration 1777: trace = 2.39303944221371 (1.54746e-09% change) - large trace change predicted (3.34274e-09%) + iteration 223: trace = 2.452208506810443 (0.000167312% change) linmin: converged after 3 iterations. - iteration 1778: trace = 2.393039442133237 (3.36279e-09% change) - large trace change predicted (8.09184e-09%) - linmin: converged after 17 iterations. - iteration 1779: trace = 2.393039441939736 (8.08598e-09% change) + iteration 224: trace = 2.452205430820996 (0.000125438% change) linmin: converged after 3 iterations. - iteration 1780: trace = 2.393039441833837 (4.42532e-09% change) - large trace change predicted (1.34704e-08%) - linmin: converged after 10 iterations. - iteration 1781: trace = 2.393039441511344 (1.34763e-08% change) - linmin: converged after 10 iterations. - iteration 1782: trace = 2.393039441304755 (8.63291e-09% change) - linmin: converged after 12 iterations. - iteration 1783: trace = 2.39303944107243 (9.70839e-09% change) + iteration 225: trace = 2.452202624160543 (0.000114455% change) linmin: converged after 6 iterations. - iteration 1784: trace = 2.393039440915222 (6.56939e-09% change) - linmin: converged after 13 iterations. - iteration 1785: trace = 2.393039440818795 (4.02947e-09% change) - linmin: converged after 3 iterations. - iteration 1786: trace = 2.393039440676874 (5.93056e-09% change) - linmin: converged after 9 iterations. - iteration 1787: trace = 2.393039440620795 (2.34343e-09% change) - large trace change predicted (4.90466e-09%) - linmin: converged after 3 iterations. - iteration 1788: trace = 2.393039440503506 (4.90125e-09% change) - linmin: converged after 5 iterations. - iteration 1789: trace = 2.393039440446732 (2.37247e-09% change) - linmin: converged after 6 iterations. - iteration 1790: trace = 2.393039440361032 (3.5812e-09% change) - linmin: converged after 3 iterations. - iteration 1791: trace = 2.393039440311737 (2.05996e-09% change) + iteration 226: trace = 2.45219852869068 (0.000167012% change) linmin: converged after 4 iterations. - iteration 1792: trace = 2.393039440272974 (1.61979e-09% change) - linmin: converged after 6 iterations. - iteration 1793: trace = 2.393039440199366 (3.07595e-09% change) - linmin: converged after 12 iterations. - iteration 1794: trace = 2.393039440165944 (1.3966e-09% change) - large trace change predicted (3.70625e-09%) - linmin: converged after 5 iterations. - iteration 1795: trace = 2.393039440077674 (3.68864e-09% change) + iteration 227: trace = 2.452192445699392 (0.000248063% change) linmin: converged after 3 iterations. - iteration 1796: trace = 2.393039440030697 (1.96307e-09% change) - large trace change predicted (4.79803e-09%) - linmin: converged after 10 iterations. - iteration 1797: trace = 2.393039439915658 (4.80724e-09% change) - linmin: converged after 12 iterations. - iteration 1798: trace = 2.393039439814751 (4.21666e-09% change) + iteration 228: trace = 2.45218995005988 (0.000101772% change) + large trace change predicted (0.000275113%) linmin: converged after 4 iterations. - iteration 1799: trace = 2.393039439692446 (5.11086e-09% change) - large trace change predicted (1.0631e-08%) - linmin: converged after 3 iterations. - iteration 1800: trace = 2.39303943943804 (1.06311e-08% change) - linmin: converged after 4 iterations. - iteration 1801: trace = 2.393039439290153 (6.17988e-09% change) - large trace change predicted (1.93354e-08%) - linmin: converged after 12 iterations. - iteration 1802: trace = 2.393039438827166 (1.93472e-08% change) + iteration 229: trace = 2.452183204271469 (0.000275093% change) + linmin: converged after 5 iterations. + iteration 230: trace = 2.452177232782945 (0.000243518% change) linmin: converged after 4 iterations. - iteration 1803: trace = 2.393039438627755 (8.33295e-09% change) - linmin: converged after 15 iterations. - iteration 1804: trace = 2.393039438344062 (1.18549e-08% change) - linmin: converged after 3 iterations. - iteration 1805: trace = 2.393039438183445 (6.71183e-09% change) + iteration 231: trace = 2.452175114899881 (8.63675e-05% change) + large trace change predicted (0.000272051%) linmin: converged after 3 iterations. - iteration 1806: trace = 2.393039438114115 (2.89717e-09% change) - large trace change predicted (6.29463e-09%) - linmin: converged after 6 iterations. - iteration 1807: trace = 2.393039437963845 (6.27944e-09% change) - linmin: converged after 5 iterations. - iteration 1808: trace = 2.39303943791392 (2.08628e-09% change) + iteration 232: trace = 2.452168437025102 (0.000272325% change) linmin: converged after 5 iterations. - iteration 1809: trace = 2.393039437874635 (1.64164e-09% change) + iteration 233: trace = 2.452165856036102 (0.000105253% change) linmin: converged after 3 iterations. - iteration 1810: trace = 2.393039437823133 (2.15214e-09% change) - linmin: converged after 9 iterations. - iteration 1811: trace = 2.393039437792614 (1.27533e-09% change) - large trace change predicted (5.16832e-09%) - linmin: converged after 5 iterations. - iteration 1812: trace = 2.393039437669096 (5.16156e-09% change) - linmin: converged after 6 iterations. - iteration 1813: trace = 2.393039437561806 (4.48341e-09% change) + iteration 234: trace = 2.452163825140802 (8.28205e-05% change) + linmin: converged after 3 iterations. + iteration 235: trace = 2.452161441151343 (9.72199e-05% change) linmin: converged after 4 iterations. - iteration 1814: trace = 2.393039437470394 (3.81992e-09% change) - large trace change predicted (9.6568e-09%) + iteration 236: trace = 2.452159522440442 (7.82457e-05% change) linmin: converged after 3 iterations. - iteration 1815: trace = 2.393039437239216 (9.66044e-09% change) + iteration 237: trace = 2.452158047912876 (6.01318e-05% change) + large trace change predicted (0.000127997%) linmin: converged after 3 iterations. - iteration 1816: trace = 2.393039437195021 (1.84679e-09% change) - large trace change predicted (8.05644e-09%) - linmin: converged after 6 iterations. - iteration 1817: trace = 2.393039437001947 (8.06815e-09% change) - linmin: converged after 6 iterations. - iteration 1818: trace = 2.393039436913043 (3.71511e-09% change) + iteration 238: trace = 2.452154908656737 (0.00012802% change) linmin: converged after 3 iterations. - iteration 1819: trace = 2.393039436735796 (7.4068e-09% change) - resetting CG direction... - linmin: converged after 4 iterations. - iteration 1820: trace = 2.393039436615087 (5.04416e-09% change) - linmin: converged after 5 iterations. - iteration 1821: trace = 2.393039436553057 (2.59212e-09% change) - large trace change predicted (8.69087e-09%) - linmin: converged after 6 iterations. - iteration 1822: trace = 2.393039436344917 (8.69773e-09% change) + iteration 239: trace = 2.452153319399313 (6.48107e-05% change) linmin: converged after 4 iterations. - iteration 1823: trace = 2.393039436284367 (2.53023e-09% change) - large trace change predicted (6.18035e-09%) + iteration 240: trace = 2.452151932336944 (5.65651e-05% change) + large trace change predicted (0.000119354%) linmin: converged after 3 iterations. - iteration 1824: trace = 2.3930394361362 (6.19161e-09% change) - linmin: converged after 6 iterations. - iteration 1825: trace = 2.393039436018256 (4.92862e-09% change) - linmin: converged after 6 iterations. - iteration 1826: trace = 2.393039435969046 (2.05636e-09% change) + iteration 241: trace = 2.452149005936044 (0.00011934% change) linmin: converged after 3 iterations. - iteration 1827: trace = 2.39303943588169 (3.65042e-09% change) - linmin: converged after 4 iterations. - iteration 1828: trace = 2.393039435842717 (1.62861e-09% change) + iteration 242: trace = 2.452147119335395 (7.69367e-05% change) linmin: converged after 3 iterations. - iteration 1829: trace = 2.393039435813915 (1.20359e-09% change) - linmin: converged after 5 iterations. - iteration 1830: trace = 2.393039435779417 (1.44159e-09% change) + iteration 243: trace = 2.452144943152669 (8.8746e-05% change) linmin: converged after 3 iterations. - iteration 1831: trace = 2.393039435766638 (5.33993e-10% change) - large trace change predicted (3.41338e-09%) + iteration 244: trace = 2.452141842007064 (0.000126467% change) linmin: converged after 3 iterations. - iteration 1832: trace = 2.393039435684921 (3.41477e-09% change) + iteration 245: trace = 2.452139005943088 (0.000115657% change) linmin: converged after 3 iterations. - iteration 1833: trace = 2.393039435650287 (1.4473e-09% change) - large trace change predicted (4.76432e-09%) + iteration 246: trace = 2.452135151714921 (0.000157178% change) + large trace change predicted (0.000352986%) linmin: converged after 3 iterations. - iteration 1834: trace = 2.393039435536316 (4.76259e-09% change) + iteration 247: trace = 2.452126500068111 (0.000352822% change) linmin: converged after 3 iterations. - iteration 1835: trace = 2.393039435396384 (5.84746e-09% change) - linmin: converged after 4 iterations. - iteration 1836: trace = 2.393039435335645 (2.53815e-09% change) - large trace change predicted (1.09733e-08%) + iteration 248: trace = 2.45212362710763 (0.000117162% change) + large trace change predicted (0.000399559%) linmin: converged after 6 iterations. - iteration 1837: trace = 2.393039435073163 (1.09686e-08% change) - linmin: converged after 9 iterations. - iteration 1838: trace = 2.393039434991662 (3.40577e-09% change) + iteration 249: trace = 2.452113840524461 (0.000399107% change) linmin: converged after 3 iterations. - iteration 1839: trace = 2.39303943487383 (4.92393e-09% change) + iteration 250: trace = 2.452107245212371 (0.000268965% change) linmin: converged after 3 iterations. - iteration 1840: trace = 2.393039434800345 (3.07079e-09% change) - linmin: converged after 6 iterations. - iteration 1841: trace = 2.393039434770315 (1.25488e-09% change) - linmin: converged after 5 iterations. - iteration 1842: trace = 2.393039434732226 (1.59168e-09% change) - linmin: converged after 4 iterations. - iteration 1843: trace = 2.393039434688152 (1.84176e-09% change) - linmin: converged after 4 iterations. - iteration 1844: trace = 2.39303943467836 (4.09175e-10% change) - large trace change predicted (1.64274e-09%) - linmin: converged after 4 iterations. - iteration 1845: trace = 2.393039434638748 (1.65531e-09% change) + iteration 251: trace = 2.452104025647748 (0.000131298% change) + large trace change predicted (0.000266832%) linmin: converged after 3 iterations. - iteration 1846: trace = 2.393039434617966 (8.684e-10% change) - linmin: converged after 4 iterations. - iteration 1847: trace = 2.393039434606084 (4.96544e-10% change) - large trace change predicted (1.08612e-09%) - linmin: converged after 5 iterations. - iteration 1848: trace = 2.393039434580546 (1.06717e-09% change) - linmin: converged after 4 iterations. - iteration 1849: trace = 2.393039434567339 (5.51883e-10% change) - large trace change predicted (1.3046e-09%) - linmin: converged after 5 iterations. - iteration 1850: trace = 2.393039434535825 (1.31694e-09% change) - linmin: converged after 6 iterations. - iteration 1851: trace = 2.393039434518744 (7.1376e-10% change) - large trace change predicted (1.71326e-09%) + iteration 252: trace = 2.452097480650554 (0.000266914% change) linmin: converged after 3 iterations. - iteration 1852: trace = 2.393039434477874 (1.70785e-09% change) - linmin: converged after 6 iterations. - iteration 1853: trace = 2.39303943445434 (9.83457e-10% change) - large trace change predicted (2.34054e-09%) + iteration 253: trace = 2.452092716740998 (0.000194279% change) linmin: converged after 3 iterations. - iteration 1854: trace = 2.393039434398526 (2.33237e-09% change) + iteration 254: trace = 2.452091678538273 (4.23395e-05% change) + large trace change predicted (0.000104771%) linmin: converged after 4 iterations. - iteration 1855: trace = 2.393039434377281 (8.87756e-10% change) - large trace change predicted (2.73964e-09%) + iteration 255: trace = 2.452089109675498 (0.000104762% change) linmin: converged after 3 iterations. - iteration 1856: trace = 2.393039434312235 (2.71816e-09% change) + iteration 256: trace = 2.452087002088307 (8.59507e-05% change) linmin: converged after 5 iterations. - iteration 1857: trace = 2.393039434277281 (1.46063e-09% change) - large trace change predicted (3.22141e-09%) - linmin: converged after 7 iterations. - iteration 1858: trace = 2.393039434199886 (3.23419e-09% change) - linmin: converged after 6 iterations. - iteration 1859: trace = 2.39303943417769 (9.27524e-10% change) - large trace change predicted (3.00258e-09%) + iteration 257: trace = 2.452086435832689 (2.30928e-05% change) + large trace change predicted (8.82807e-05%) + linmin: converged after 3 iterations. + iteration 258: trace = 2.452084271124771 (8.82803e-05% change) linmin: converged after 5 iterations. - iteration 1860: trace = 2.393039434105628 (3.01129e-09% change) + iteration 259: trace = 2.452082967717576 (5.31551e-05% change) linmin: converged after 3 iterations. - iteration 1861: trace = 2.3930394340861 (8.16049e-10% change) + iteration 260: trace = 2.452082264834485 (2.86647e-05% change) + large trace change predicted (0.000108866%) linmin: converged after 3 iterations. - iteration 1862: trace = 2.39303943406486 (8.87551e-10% change) + iteration 261: trace = 2.452079594971158 (0.000108882% change) + linmin: converged after 4 iterations. + iteration 262: trace = 2.452078254492505 (5.4667e-05% change) + large trace change predicted (0.000139941%) linmin: converged after 3 iterations. - iteration 1863: trace = 2.393039434048505 (6.83474e-10% change) + iteration 263: trace = 2.452074821196075 (0.000140016% change) linmin: converged after 3 iterations. - iteration 1864: trace = 2.393039434038708 (4.09361e-10% change) - linmin: converged after 5 iterations. - iteration 1865: trace = 2.393039434030361 (3.48807e-10% change) - linmin: converged after 5 iterations. - iteration 1866: trace = 2.393039434022309 (3.36485e-10% change) + iteration 264: trace = 2.452070283981707 (0.000185036% change) + linmin: converged after 4 iterations. + iteration 265: trace = 2.452066952870944 (0.000135849% change) linmin: converged after 3 iterations. - iteration 1867: trace = 2.393039434012162 (4.2404e-10% change) - linmin: converged after 6 iterations. - iteration 1868: trace = 2.393039434003842 (3.47675e-10% change) + iteration 266: trace = 2.452064399798202 (0.000104119% change) + large trace change predicted (0.00032686%) linmin: converged after 3 iterations. - iteration 1869: trace = 2.393039433988787 (6.29082e-10% change) - linmin: converged after 6 iterations. - iteration 1870: trace = 2.393039433978263 (4.39814e-10% change) - linmin: converged after 5 iterations. - iteration 1871: trace = 2.393039433957409 (8.71406e-10% change) + iteration 267: trace = 2.452056373575569 (0.000327326% change) linmin: converged after 4 iterations. - iteration 1872: trace = 2.393039433943766 (5.70143e-10% change) + iteration 268: trace = 2.452052115636694 (0.000173648% change) linmin: converged after 3 iterations. - iteration 1873: trace = 2.393039433923201 (8.59344e-10% change) + iteration 269: trace = 2.45204740264865 (0.000192206% change) linmin: converged after 3 iterations. - iteration 1874: trace = 2.393039433893358 (1.24707e-09% change) - linmin: converged after 4 iterations. - iteration 1875: trace = 2.393039433876588 (7.00788e-10% change) + iteration 270: trace = 2.452038217302589 (0.0003746% change) linmin: converged after 4 iterations. - iteration 1876: trace = 2.393039433852826 (9.92995e-10% change) - linmin: converged after 4 iterations. - iteration 1877: trace = 2.393039433838712 (5.89759e-10% change) - large trace change predicted (1.2533e-09%) + iteration 271: trace = 2.452036604132727 (6.5789e-05% change) + large trace change predicted (0.000234246%) linmin: converged after 3 iterations. - iteration 1878: trace = 2.393039433808313 (1.27034e-09% change) + iteration 272: trace = 2.452030856438753 (0.000234405% change) linmin: converged after 3 iterations. - iteration 1879: trace = 2.393039433794997 (5.56429e-10% change) - large trace change predicted (1.19387e-09%) - linmin: converged after 5 iterations. - iteration 1880: trace = 2.393039433766649 (1.18462e-09% change) - linmin: converged after 6 iterations. - iteration 1881: trace = 2.393039433752501 (5.91206e-10% change) + iteration 273: trace = 2.452027377973732 (0.000141861% change) linmin: converged after 3 iterations. - iteration 1882: trace = 2.393039433727414 (1.04833e-09% change) + iteration 274: trace = 2.452026142480904 (5.03866e-05% change) linmin: converged after 3 iterations. - iteration 1883: trace = 2.393039433703695 (9.91177e-10% change) + iteration 275: trace = 2.452023808353462 (9.51918e-05% change) linmin: converged after 4 iterations. - iteration 1884: trace = 2.39303943369355 (4.2391e-10% change) - linmin: converged after 3 iterations. - iteration 1885: trace = 2.393039433674987 (7.75705e-10% change) + iteration 276: trace = 2.452021090681099 (0.000110834% change) linmin: converged after 4 iterations. - iteration 1886: trace = 2.393039433670693 (1.79433e-10% change) - linmin: converged after 3 iterations. - iteration 1887: trace = 2.393039433664913 (2.41545e-10% change) - linmin: converged after 3 iterations. - iteration 1888: trace = 2.393039433658601 (2.63758e-10% change) + iteration 277: trace = 2.452020590715121 (2.039e-05% change) + large trace change predicted (0.0001115%) + linmin: converged after 4 iterations. + iteration 278: trace = 2.452017856421268 (0.000111512% change) linmin: converged after 3 iterations. - iteration 1889: trace = 2.393039433654001 (1.92256e-10% change) + iteration 279: trace = 2.452013727359292 (0.000168395% change) resetting CG direction... - linmin: converged after 3 iterations. - iteration 1890: trace = 2.393039433651856 (8.96144e-11% change) -Finished solving for bands 2 to 10 after 1890 iterations. -tmfreqs:, 1, 0, 0, 0, 0, 0, 0.265885, 0.356852, 0.36899, 0.503897, 0.506552, 0.539911, 0.635681, 0.645852, 0.660016 -elapsed time for k point: 36.58587312698364 -solve_kpoint (0.166667,0,0): -Solving for bands 1 to 10... + linmin: converged after 4 iterations. + iteration 280: trace = 2.452010816124002 (0.000118728% change) + linmin: converged after 2 iterations. + iteration 281: trace = 2.452009039484546 (7.24565e-05% change) linmin: converged after 5 iterations. - iteration 1: trace = 2.4726064316793 (8.48024% change) - linmin: converged after 6 iterations. - iteration 2: trace = 2.453425743842929 (0.778748% change) - linmin: converged after 6 iterations. - iteration 3: trace = 2.442844417482463 (0.43222% change) - linmin: converged after 6 iterations. - iteration 4: trace = 2.431161848781773 (0.479383% change) + iteration 282: trace = 2.45200762657505 (5.76225e-05% change) + linmin: converged after 2 iterations. + iteration 283: trace = 2.452006625921106 (4.08096e-05% change) + large trace change predicted (9.37356e-05%) linmin: converged after 5 iterations. - iteration 5: trace = 2.426060275410308 (0.210061% change) - linmin: converged after 8 iterations. - iteration 6: trace = 2.423173496441477 (0.119061% change) + iteration 284: trace = 2.452004328568657 (9.36928e-05% change) + linmin: converged after 5 iterations. + iteration 285: trace = 2.452003219880789 (4.52156e-05% change) + linmin: converged after 15 iterations. + iteration 286: trace = 2.452001535765881 (6.86832e-05% change) + large trace change predicted (0.000175132%) linmin: converged after 6 iterations. - iteration 7: trace = 2.421004974464662 (0.0895311% change) + iteration 287: trace = 2.451997246080103 (0.000174946% change) linmin: converged after 4 iterations. - iteration 8: trace = 2.419230588502718 (0.0733182% change) + iteration 288: trace = 2.451995994566569 (5.10406e-05% change) + large trace change predicted (0.000174843%) linmin: converged after 5 iterations. - iteration 9: trace = 2.418879966551738 (0.0144942% change) - linmin: converged after 4 iterations. - iteration 10: trace = 2.418217811138232 (0.0273782% change) + iteration 289: trace = 2.451991712818422 (0.000174623% change) linmin: converged after 4 iterations. - iteration 11: trace = 2.41791661414678 (0.0124561% change) - linmin: converged after 4 iterations. - iteration 12: trace = 2.417553417119585 (0.0150222% change) - linmin: converged after 4 iterations. - iteration 13: trace = 2.417324392266428 (0.00947386% change) + iteration 290: trace = 2.451986680056171 (0.000205252% change) linmin: converged after 3 iterations. - iteration 14: trace = 2.417053478147193 (0.0112078% change) - linmin: converged after 4 iterations. - iteration 15: trace = 2.416983339184622 (0.00290188% change) - large trace change predicted (0.00610733%) + iteration 291: trace = 2.451984237623401 (9.96104e-05% change) linmin: converged after 3 iterations. - iteration 16: trace = 2.41683413845168 (0.00617321% change) + iteration 292: trace = 2.451980325187954 (0.000159562% change) linmin: converged after 4 iterations. - iteration 17: trace = 2.416789893810626 (0.0018307% change) - large trace change predicted (0.00505464%) + iteration 293: trace = 2.451974891937435 (0.000221586% change) + linmin: converged after 6 iterations. + iteration 294: trace = 2.45197405213638 (3.425e-05% change) + large trace change predicted (0.000130424%) linmin: converged after 3 iterations. - iteration 18: trace = 2.416666947212843 (0.00508732% change) - linmin: converged after 4 iterations. - iteration 19: trace = 2.416616681223286 (0.00207999% change) + iteration 295: trace = 2.451970855737407 (0.00013036% change) linmin: converged after 3 iterations. - iteration 20: trace = 2.416550540418851 (0.00273695% change) + iteration 296: trace = 2.45196937328455 (6.04597e-05% change) linmin: converged after 4 iterations. - iteration 21: trace = 2.416470727588368 (0.00330281% change) - linmin: converged after 3 iterations. - iteration 22: trace = 2.416391460051795 (0.00328036% change) + iteration 297: trace = 2.451968740293344 (2.58156e-05% change) + large trace change predicted (6.99676e-05%) + linmin: converged after 17 iterations. + iteration 298: trace = 2.451967024721027 (6.99672e-05% change) linmin: converged after 4 iterations. - iteration 23: trace = 2.416340837484853 (0.00209499% change) - linmin: converged after 3 iterations. - iteration 24: trace = 2.416269502934743 (0.00295222% change) - linmin: converged after 6 iterations. - iteration 25: trace = 2.416222967868819 (0.00192592% change) + iteration 299: trace = 2.451966021990017 (4.0895e-05% change) linmin: converged after 3 iterations. - iteration 26: trace = 2.416194248941607 (0.00118859% change) - large trace change predicted (0.00530475%) + iteration 300: trace = 2.451965401657064 (2.52994e-05% change) linmin: converged after 3 iterations. - iteration 27: trace = 2.416065966449136 (0.00530942% change) + iteration 301: trace = 2.451964331807183 (4.36323e-05% change) linmin: converged after 3 iterations. - iteration 28: trace = 2.416019766155136 (0.00191223% change) - large trace change predicted (0.00450147%) + iteration 302: trace = 2.451963707141317 (2.54761e-05% change) linmin: converged after 4 iterations. - iteration 29: trace = 2.415911185989398 (0.00449428% change) - linmin: converged after 3 iterations. - iteration 30: trace = 2.415826340151925 (0.00351202% change) + iteration 303: trace = 2.451962816627826 (3.63184e-05% change) linmin: converged after 3 iterations. - iteration 31: trace = 2.415706050016934 (0.00497938% change) + iteration 304: trace = 2.451961128867396 (6.88331e-05% change) linmin: converged after 3 iterations. - iteration 32: trace = 2.415628014634792 (0.00323039% change) - large trace change predicted (0.0107004%) + iteration 305: trace = 2.451960034318034 (4.46398e-05% change) linmin: converged after 3 iterations. - iteration 33: trace = 2.415370536076258 (0.0106594% change) + iteration 306: trace = 2.451959303974537 (2.97861e-05% change) + large trace change predicted (0.000117356%) linmin: converged after 3 iterations. - iteration 34: trace = 2.415301752322894 (0.00284779% change) - large trace change predicted (0.0088786%) + iteration 307: trace = 2.45195642451566 (0.000117435% change) linmin: converged after 4 iterations. - iteration 35: trace = 2.415087783883891 (0.00885926% change) - linmin: converged after 4 iterations. - iteration 36: trace = 2.41499630719488 (0.00378779% change) + iteration 308: trace = 2.451953888929074 (0.000103411% change) linmin: converged after 3 iterations. - iteration 37: trace = 2.414847790234521 (0.00614997% change) - linmin: converged after 4 iterations. - iteration 38: trace = 2.414719179207967 (0.00532599% change) - linmin: converged after 4 iterations. - iteration 39: trace = 2.414561279642779 (0.00653926% change) - linmin: converged after 4 iterations. - iteration 40: trace = 2.414484109960662 (0.00319606% change) - linmin: converged after 4 iterations. - iteration 41: trace = 2.414383085142223 (0.0041842% change) - linmin: converged after 3 iterations. - iteration 42: trace = 2.414348660207591 (0.00142584% change) - linmin: converged after 4 iterations. - iteration 43: trace = 2.414292741164467 (0.00231614% change) - linmin: converged after 3 iterations. - iteration 44: trace = 2.414262839432096 (0.00123854% change) - linmin: converged after 4 iterations. - iteration 45: trace = 2.414243275460592 (0.000810353% change) + iteration 309: trace = 2.451951384876794 (0.000102125% change) + linmin: converged after 8 iterations. + iteration 310: trace = 2.451947036571911 (0.000177341% change) linmin: converged after 3 iterations. - iteration 46: trace = 2.414221969413599 (0.000882518% change) - linmin: converged after 4 iterations. - iteration 47: trace = 2.414189342424333 (0.00135146% change) + iteration 311: trace = 2.451945536940499 (6.11609e-05% change) + large trace change predicted (0.000134561%) linmin: converged after 3 iterations. - iteration 48: trace = 2.414175447826379 (0.000575541% change) - large trace change predicted (0.00151726%) - linmin: converged after 4 iterations. - iteration 49: trace = 2.414139131820406 (0.00150429% change) - linmin: converged after 3 iterations. - iteration 50: trace = 2.414108614772963 (0.0012641% change) - linmin: converged after 4 iterations. - iteration 51: trace = 2.414084439505118 (0.00100142% change) + iteration 312: trace = 2.451942235907968 (0.000134629% change) linmin: converged after 3 iterations. - iteration 52: trace = 2.414051975715635 (0.00134478% change) - linmin: converged after 4 iterations. - iteration 53: trace = 2.414006541143371 (0.00188211% change) + iteration 313: trace = 2.45193931137761 (0.000119274% change) linmin: converged after 3 iterations. - iteration 54: trace = 2.413987554951889 (0.000786504% change) - large trace change predicted (0.00171873%) - linmin: converged after 4 iterations. - iteration 55: trace = 2.413946350924714 (0.0017069% change) + iteration 314: trace = 2.451938548030099 (3.11324e-05% change) + large trace change predicted (7.28003e-05%) linmin: converged after 3 iterations. - iteration 56: trace = 2.413918618368818 (0.00114885% change) - linmin: converged after 4 iterations. - iteration 57: trace = 2.413893179810757 (0.00105383% change) + iteration 315: trace = 2.45193676285692 (7.28066e-05% change) linmin: converged after 3 iterations. - iteration 58: trace = 2.413859240154034 (0.00140602% change) - linmin: converged after 4 iterations. - iteration 59: trace = 2.413820611833855 (0.00160029% change) + iteration 316: trace = 2.451935159437931 (6.5394e-05% change) linmin: converged after 3 iterations. - iteration 60: trace = 2.41379371660232 (0.00111422% change) - linmin: converged after 4 iterations. - iteration 61: trace = 2.413747556623282 (0.00191236% change) + iteration 317: trace = 2.45193468191969 (1.94752e-05% change) + large trace change predicted (5.74146e-05%) + linmin: converged after 5 iterations. + iteration 318: trace = 2.451933274021298 (5.74199e-05% change) linmin: converged after 3 iterations. - iteration 62: trace = 2.413717636611619 (0.00123957% change) + iteration 319: trace = 2.451932208315503 (4.34639e-05% change) linmin: converged after 4 iterations. - iteration 63: trace = 2.413670772128531 (0.00194161% change) + iteration 320: trace = 2.451931679822379 (2.15542e-05% change) linmin: converged after 3 iterations. - iteration 64: trace = 2.413608472937484 (0.00258113% change) + iteration 321: trace = 2.451930998396305 (2.77914e-05% change) linmin: converged after 4 iterations. - iteration 65: trace = 2.413550361068726 (0.0024077% change) + iteration 322: trace = 2.451929942054187 (4.30821e-05% change) linmin: converged after 3 iterations. - iteration 66: trace = 2.413476868707579 (0.00304504% change) + iteration 323: trace = 2.45192973005818 (8.64609e-06% change) + large trace change predicted (4.25983e-05%) linmin: converged after 4 iterations. - iteration 67: trace = 2.413393443352889 (0.00345671% change) + iteration 324: trace = 2.451928685632811 (4.25961e-05% change) linmin: converged after 3 iterations. - iteration 68: trace = 2.413361558952807 (0.00132115% change) + iteration 325: trace = 2.451928028893408 (2.67846e-05% change) linmin: converged after 4 iterations. - iteration 69: trace = 2.413309206980998 (0.00216928% change) - resetting CG direction... - linmin: converged after 3 iterations. - iteration 70: trace = 2.413292433617291 (0.000695038% change) - linmin: converged after 3 iterations. - iteration 71: trace = 2.413275725259813 (0.000692349% change) + iteration 326: trace = 2.451927496045839 (2.17318e-05% change) + large trace change predicted (6.03284e-05%) linmin: converged after 3 iterations. - iteration 72: trace = 2.413247286264708 (0.00117845% change) - linmin: converged after 5 iterations. - iteration 73: trace = 2.413240949546879 (0.000262581% change) - large trace change predicted (0.000686852%) - linmin: converged after 3 iterations. - iteration 74: trace = 2.413224351266146 (0.000687803% change) + iteration 327: trace = 2.451926017167384 (6.0315e-05% change) + linmin: converged after 11 iterations. + iteration 328: trace = 2.451924459115364 (6.3544e-05% change) linmin: converged after 5 iterations. - iteration 75: trace = 2.413219298346457 (0.000209385% change) + iteration 329: trace = 2.451923474640273 (4.01511e-05% change) + large trace change predicted (9.60697e-05%) linmin: converged after 3 iterations. - iteration 76: trace = 2.413214471341386 (0.000200024% change) + iteration 330: trace = 2.451921120055315 (9.60302e-05% change) linmin: converged after 3 iterations. - iteration 77: trace = 2.413206821557941 (0.000316996% change) - linmin: converged after 3 iterations. - iteration 78: trace = 2.413202672014996 (0.000171952% change) - linmin: converged after 3 iterations. - iteration 79: trace = 2.413195507090028 (0.000296906% change) - large trace change predicted (0.000675692%) - linmin: converged after 3 iterations. - iteration 80: trace = 2.413179123118357 (0.000678935% change) - linmin: converged after 3 iterations. - iteration 81: trace = 2.413174486119533 (0.000192153% change) - large trace change predicted (0.000670701%) - linmin: converged after 3 iterations. - iteration 82: trace = 2.413158287901495 (0.000671243% change) - linmin: converged after 3 iterations. - iteration 83: trace = 2.413137365157749 (0.000867031% change) + iteration 331: trace = 2.451918847879762 (9.26692e-05% change) linmin: converged after 4 iterations. - iteration 84: trace = 2.41313205125692 (0.000220207% change) - large trace change predicted (0.00137282%) + iteration 332: trace = 2.451917528501986 (5.381e-05% change) linmin: converged after 3 iterations. - iteration 85: trace = 2.413098599305338 (0.00138626% change) - linmin: converged after 3 iterations. - iteration 86: trace = 2.413088249700511 (0.000428894% change) - linmin: converged after 4 iterations. - iteration 87: trace = 2.413069986749186 (0.000756832% change) - linmin: converged after 5 iterations. - iteration 88: trace = 2.413059110486709 (0.000450724% change) - linmin: converged after 4 iterations. - iteration 89: trace = 2.413054799908851 (0.000178636% change) - large trace change predicted (0.000378474%) - linmin: converged after 3 iterations. - iteration 90: trace = 2.413045656037611 (0.000378934% change) - linmin: converged after 7 iterations. - iteration 91: trace = 2.413029361528956 (0.00067527% change) + iteration 333: trace = 2.451915250440163 (9.29094e-05% change) linmin: converged after 4 iterations. - iteration 92: trace = 2.413026310086575 (0.000126457% change) - large trace change predicted (0.000680895%) + iteration 334: trace = 2.451914418356846 (3.39361e-05% change) linmin: converged after 4 iterations. - iteration 93: trace = 2.413009836157888 (0.000682711% change) - linmin: converged after 4 iterations. - iteration 94: trace = 2.413004932270046 (0.000203227% change) - linmin: converged after 3 iterations. - iteration 95: trace = 2.413000982549347 (0.000163685% change) - large trace change predicted (0.000575076%) - linmin: converged after 3 iterations. - iteration 96: trace = 2.412987084441429 (0.000575969% change) - linmin: converged after 4 iterations. - iteration 97: trace = 2.412981962610885 (0.000212261% change) - linmin: converged after 8 iterations. - iteration 98: trace = 2.412974933898496 (0.000291288% change) - linmin: converged after 3 iterations. - iteration 99: trace = 2.412971633220663 (0.000136789% change) - linmin: converged after 10 iterations. - iteration 100: trace = 2.41296969963357 (8.01331e-05% change) - large trace change predicted (0.000185934%) + iteration 335: trace = 2.451913325834117 (4.4558e-05% change) linmin: converged after 5 iterations. - iteration 101: trace = 2.412965212817154 (0.000185946% change) - linmin: converged after 4 iterations. - iteration 102: trace = 2.412957829001476 (0.000306006% change) + iteration 336: trace = 2.451912116066079 (4.93398e-05% change) + linmin: converged after 5 iterations. + iteration 337: trace = 2.451911547816677 (2.31758e-05% change) linmin: converged after 3 iterations. - iteration 103: trace = 2.412955621846459 (9.1471e-05% change) - large trace change predicted (0.000451406%) + iteration 338: trace = 2.451910751477454 (3.24783e-05% change) linmin: converged after 4 iterations. - iteration 104: trace = 2.412944779572966 (0.000449337% change) + iteration 339: trace = 2.45190984093602 (3.7136e-05% change) + linmin: converged after 2 iterations. + iteration 340: trace = 2.451909601508429 (9.76494e-06% change) + large trace change predicted (2.1606e-05%) linmin: converged after 3 iterations. - iteration 105: trace = 2.412939567470628 (0.000216006% change) - large trace change predicted (0.000436625%) - linmin: converged after 4 iterations. - iteration 106: trace = 2.412929065296473 (0.000435245% change) - linmin: converged after 4 iterations. - iteration 107: trace = 2.412912366097883 (0.000692074% change) - linmin: converged after 4 iterations. - iteration 108: trace = 2.41288272467351 (0.00122846% change) - linmin: converged after 4 iterations. - iteration 109: trace = 2.412866258143775 (0.000682445% change) - large trace change predicted (0.0014041%) - linmin: converged after 4 iterations. - iteration 110: trace = 2.412832868724427 (0.00138382% change) + iteration 341: trace = 2.451909071699685 (2.1608e-05% change) linmin: converged after 5 iterations. - iteration 111: trace = 2.412826949669475 (0.000245316% change) - linmin: converged after 4 iterations. - iteration 112: trace = 2.412818867669138 (0.00033496% change) - linmin: converged after 4 iterations. - iteration 113: trace = 2.412807732728217 (0.000461492% change) - linmin: converged after 4 iterations. - iteration 114: trace = 2.412803749127395 (0.000165102% change) + iteration 342: trace = 2.451908282454626 (3.2189e-05% change) linmin: converged after 5 iterations. - iteration 115: trace = 2.412797318292959 (0.00026653% change) + iteration 343: trace = 2.451908041683668 (9.81974e-06% change) + large trace change predicted (2.81149e-05%) linmin: converged after 3 iterations. - iteration 116: trace = 2.412796040493983 (5.29592e-05% change) - large trace change predicted (0.000176609%) + iteration 344: trace = 2.451907352274796 (2.81172e-05% change) linmin: converged after 3 iterations. - iteration 117: trace = 2.412791778982473 (0.000176621% change) - linmin: converged after 6 iterations. - iteration 118: trace = 2.412788945390335 (0.00011744% change) + iteration 345: trace = 2.451906684361283 (2.72406e-05% change) linmin: converged after 3 iterations. - iteration 119: trace = 2.412787800517203 (4.74502e-05% change) - large trace change predicted (0.00021539%) - linmin: converged after 22 iterations. - iteration 120: trace = 2.412782608800236 (0.000215175% change) + iteration 346: trace = 2.451906191668016 (2.00943e-05% change) + large trace change predicted (4.9305e-05%) linmin: converged after 4 iterations. - iteration 121: trace = 2.412781603210585 (4.16776e-05% change) - large trace change predicted (0.000159619%) - linmin: converged after 5 iterations. - iteration 122: trace = 2.412777756651581 (0.000159424% change) - linmin: converged after 21 iterations. - iteration 123: trace = 2.412776280560054 (6.11781e-05% change) + iteration 347: trace = 2.451904982512402 (4.93149e-05% change) linmin: converged after 3 iterations. - iteration 124: trace = 2.412774811197002 (6.08993e-05% change) + iteration 348: trace = 2.451903306684611 (6.8348e-05% change) linmin: converged after 3 iterations. - iteration 125: trace = 2.412773078731524 (7.18039e-05% change) - linmin: converged after 4 iterations. - iteration 126: trace = 2.412772023610564 (4.37306e-05% change) - large trace change predicted (0.000144159%) + iteration 349: trace = 2.451902416824541 (3.62926e-05% change) + resetting CG direction... linmin: converged after 4 iterations. - iteration 127: trace = 2.412768545458258 (0.000144156% change) + iteration 350: trace = 2.451901652594958 (3.11688e-05% change) linmin: converged after 3 iterations. - iteration 128: trace = 2.412764329648909 (0.000174729% change) + iteration 351: trace = 2.451900396941376 (5.12114e-05% change) linmin: converged after 3 iterations. - iteration 129: trace = 2.412762690065943 (6.79546e-05% change) - large trace change predicted (0.00022691%) - linmin: converged after 6 iterations. - iteration 130: trace = 2.412757221377979 (0.000226657% change) - linmin: converged after 5 iterations. - iteration 131: trace = 2.412750327851664 (0.000285712% change) + iteration 352: trace = 2.451899388234002 (4.11398e-05% change) linmin: converged after 4 iterations. - iteration 132: trace = 2.412744959840375 (0.000222485% change) - large trace change predicted (0.000506633%) + iteration 353: trace = 2.451899056778561 (1.35183e-05% change) + large trace change predicted (3.56567e-05%) linmin: converged after 3 iterations. - iteration 133: trace = 2.412732720642922 (0.000507274% change) + iteration 354: trace = 2.451898182534321 (3.56558e-05% change) linmin: converged after 3 iterations. - iteration 134: trace = 2.412730954631478 (7.31955e-05% change) - large trace change predicted (0.000324304%) - linmin: converged after 4 iterations. - iteration 135: trace = 2.412723121123227 (0.000324674% change) + iteration 355: trace = 2.451897682759301 (2.03832e-05% change) + linmin: converged after 3 iterations. + iteration 356: trace = 2.451897487091917 (7.98024e-06% change) + large trace change predicted (2.76658e-05%) linmin: converged after 3 iterations. - iteration 136: trace = 2.412721615473608 (6.24046e-05% change) + iteration 357: trace = 2.451896808679205 (2.76689e-05% change) linmin: converged after 4 iterations. - iteration 137: trace = 2.412719153146647 (0.000102056% change) + iteration 358: trace = 2.451896167796504 (2.61382e-05% change) + linmin: converged after 2 iterations. + iteration 359: trace = 2.451895998629145 (6.89945e-06% change) + large trace change predicted (2.06107e-05%) linmin: converged after 4 iterations. - iteration 138: trace = 2.412714752145698 (0.000182409% change) + iteration 360: trace = 2.451895493176488 (2.06148e-05% change) linmin: converged after 3 iterations. - iteration 139: trace = 2.412714235129618 (2.14288e-05% change) - resetting CG direction... - linmin: converged after 3 iterations. - iteration 140: trace = 2.412713784754152 (1.86668e-05% change) - large trace change predicted (6.16167e-05%) + iteration 361: trace = 2.451894821816309 (2.73813e-05% change) linmin: converged after 3 iterations. - iteration 141: trace = 2.41271229751497 (6.16418e-05% change) + iteration 362: trace = 2.451894627545109 (7.92331e-06% change) + large trace change predicted (4.46874e-05%) linmin: converged after 4 iterations. - iteration 142: trace = 2.412711741099932 (2.30618e-05% change) + iteration 363: trace = 2.451893531625853 (4.46968e-05% change) linmin: converged after 4 iterations. - iteration 143: trace = 2.412711423071571 (1.31814e-05% change) - large trace change predicted (3.65187e-05%) - linmin: converged after 5 iterations. - iteration 144: trace = 2.412710541789183 (3.65266e-05% change) - linmin: converged after 3 iterations. - iteration 145: trace = 2.412709985002305 (2.30772e-05% change) - linmin: converged after 3 iterations. - iteration 146: trace = 2.412709329303678 (2.71769e-05% change) - large trace change predicted (5.48992e-05%) - linmin: converged after 3 iterations. - iteration 147: trace = 2.412708003504688 (5.49506e-05% change) - linmin: converged after 3 iterations. - iteration 148: trace = 2.412707723343185 (1.16119e-05% change) - large trace change predicted (2.45696e-05%) - linmin: converged after 3 iterations. - iteration 149: trace = 2.412707130431694 (2.45745e-05% change) - linmin: converged after 3 iterations. - iteration 150: trace = 2.412706104507434 (4.25217e-05% change) + iteration 364: trace = 2.451892390607419 (4.65362e-05% change) linmin: converged after 4 iterations. - iteration 151: trace = 2.41270578257981 (1.3343e-05% change) - large trace change predicted (4.36018e-05%) - linmin: converged after 3 iterations. - iteration 152: trace = 2.412704729568492 (4.36444e-05% change) - linmin: converged after 3 iterations. - iteration 153: trace = 2.412704027168191 (2.91126e-05% change) - linmin: converged after 5 iterations. - iteration 154: trace = 2.412703564676231 (1.9169e-05% change) - large trace change predicted (3.84611e-05%) + iteration 365: trace = 2.451892000553769 (1.59083e-05% change) + large trace change predicted (4.85558e-05%) linmin: converged after 3 iterations. - iteration 155: trace = 2.412702635974135 (3.84922e-05% change) - linmin: converged after 3 iterations. - iteration 156: trace = 2.412701345066634 (5.35046e-05% change) + iteration 366: trace = 2.451890809366596 (4.85824e-05% change) linmin: converged after 4 iterations. - iteration 157: trace = 2.412700860504454 (2.00838e-05% change) - large trace change predicted (5.76405e-05%) - linmin: converged after 3 iterations. - iteration 158: trace = 2.412699467770541 (5.77251e-05% change) - linmin: converged after 9 iterations. - iteration 159: trace = 2.412698212583795 (5.20242e-05% change) - linmin: converged after 5 iterations. - iteration 160: trace = 2.412697418810282 (3.28998e-05% change) - linmin: converged after 3 iterations. - iteration 161: trace = 2.41269628746893 (4.68912e-05% change) + iteration 367: trace = 2.451889495601501 (5.35817e-05% change) linmin: converged after 3 iterations. - iteration 162: trace = 2.412695386092381 (3.73597e-05% change) - linmin: converged after 16 iterations. - iteration 163: trace = 2.412694301606301 (4.49492e-05% change) + iteration 368: trace = 2.451889010578489 (1.97816e-05% change) + large trace change predicted (6.73081e-05%) linmin: converged after 3 iterations. - iteration 164: trace = 2.412693066959875 (5.11729e-05% change) + iteration 369: trace = 2.451887359104448 (6.73552e-05% change) linmin: converged after 4 iterations. - iteration 165: trace = 2.412692869673331 (8.17703e-06% change) + iteration 370: trace = 2.451885733195993 (6.63125e-05% change) linmin: converged after 3 iterations. - iteration 166: trace = 2.412692596909532 (1.13054e-05% change) - linmin: converged after 4 iterations. - iteration 167: trace = 2.412692065814359 (2.20126e-05% change) - linmin: converged after 3 iterations. - iteration 168: trace = 2.412691967952765 (4.05612e-06% change) - large trace change predicted (1.25534e-05%) - linmin: converged after 4 iterations. - iteration 169: trace = 2.412691664903453 (1.25606e-05% change) + iteration 371: trace = 2.451885306166264 (1.74164e-05% change) + large trace change predicted (6.44919e-05%) linmin: converged after 3 iterations. - iteration 170: trace = 2.41269151882399 (6.05463e-06% change) + iteration 372: trace = 2.451883724552522 (6.4506e-05% change) linmin: converged after 3 iterations. - iteration 171: trace = 2.412691323497366 (8.0958e-06% change) - linmin: converged after 4 iterations. - iteration 172: trace = 2.412691061031412 (1.08786e-05% change) + iteration 373: trace = 2.451883201150986 (2.13469e-05% change) linmin: converged after 3 iterations. - iteration 173: trace = 2.412690852587638 (8.63947e-06% change) - large trace change predicted (1.90433e-05%) + iteration 374: trace = 2.451882627409663 (2.34e-05% change) linmin: converged after 4 iterations. - iteration 174: trace = 2.412690393063385 (1.90461e-05% change) - linmin: converged after 3 iterations. - iteration 175: trace = 2.412689480174599 (3.7837e-05% change) - linmin: converged after 3 iterations. - iteration 176: trace = 2.412689257332663 (9.23625e-06% change) - large trace change predicted (2.93612e-05%) + iteration 375: trace = 2.451882146083352 (1.96309e-05% change) linmin: converged after 4 iterations. - iteration 177: trace = 2.412688548625352 (2.93742e-05% change) - linmin: converged after 7 iterations. - iteration 178: trace = 2.412688113949724 (1.80162e-05% change) - linmin: converged after 3 iterations. - iteration 179: trace = 2.412687759144954 (1.47058e-05% change) - large trace change predicted (6.13178e-05%) - linmin: converged after 3 iterations. - iteration 180: trace = 2.412686278666822 (6.13622e-05% change) + iteration 376: trace = 2.451881456224674 (2.81359e-05% change) linmin: converged after 3 iterations. - iteration 181: trace = 2.412685892468328 (1.6007e-05% change) - large trace change predicted (4.40884e-05%) - linmin: converged after 3 iterations. - iteration 182: trace = 2.412684828285347 (4.41078e-05% change) - linmin: converged after 3 iterations. - iteration 183: trace = 2.412683959661672 (3.60024e-05% change) - linmin: converged after 16 iterations. - iteration 184: trace = 2.41268362907374 (1.37021e-05% change) - large trace change predicted (2.87517e-05%) + iteration 377: trace = 2.451881318020255 (5.63667e-06% change) + large trace change predicted (2.871e-05%) linmin: converged after 3 iterations. - iteration 185: trace = 2.412682934717816 (2.87794e-05% change) - linmin: converged after 3 iterations. - iteration 186: trace = 2.412682227654077 (2.93061e-05% change) - linmin: converged after 3 iterations. - iteration 187: trace = 2.412682000830988 (9.40128e-06% change) - large trace change predicted (2.73337e-05%) - linmin: converged after 3 iterations. - iteration 188: trace = 2.412681341333945 (2.73346e-05% change) + iteration 378: trace = 2.451880614019923 (2.87127e-05% change) + linmin: converged after 10 iterations. + iteration 379: trace = 2.451880091790557 (2.12991e-05% change) linmin: converged after 2 iterations. - iteration 189: trace = 2.412681249453636 (3.80822e-06% change) - linmin: converged after 3 iterations. - iteration 190: trace = 2.412681126250548 (5.10648e-06% change) - large trace change predicted (1.11581e-05%) - linmin: converged after 3 iterations. - iteration 191: trace = 2.412680857010287 (1.11594e-05% change) + iteration 380: trace = 2.451879875122043 (8.83683e-06% change) + large trace change predicted (3.4773e-05%) linmin: converged after 3 iterations. - iteration 192: trace = 2.412680817362095 (1.64333e-06% change) - large trace change predicted (1.20263e-05%) - linmin: converged after 7 iterations. - iteration 193: trace = 2.412680527223247 (1.20256e-05% change) + iteration 381: trace = 2.451879022512309 (3.47737e-05% change) + linmin: converged after 13 iterations. + iteration 382: trace = 2.451878358860921 (2.70671e-05% change) linmin: converged after 4 iterations. - iteration 194: trace = 2.412680393907443 (5.52563e-06% change) - linmin: converged after 3 iterations. - iteration 195: trace = 2.412680280417886 (4.70388e-06% change) - large trace change predicted (1.80685e-05%) - linmin: converged after 3 iterations. - iteration 196: trace = 2.412679844581648 (1.80644e-05% change) + iteration 383: trace = 2.451877959410018 (1.62916e-05% change) linmin: converged after 4 iterations. - iteration 197: trace = 2.412679498525944 (1.43432e-05% change) - linmin: converged after 3 iterations. - iteration 198: trace = 2.412679148816449 (1.44947e-05% change) - large trace change predicted (6.21807e-05%) + iteration 384: trace = 2.451877222808061 (3.00424e-05% change) linmin: converged after 3 iterations. - iteration 199: trace = 2.412677648108339 (6.22009e-05% change) - linmin: converged after 3 iterations. - iteration 200: trace = 2.412677368423382 (1.15923e-05% change) - large trace change predicted (5.13172e-05%) - linmin: converged after 3 iterations. - iteration 201: trace = 2.412676129895467 (5.13342e-05% change) + iteration 385: trace = 2.451876029511459 (4.86687e-05% change) linmin: converged after 4 iterations. - iteration 202: trace = 2.412675255324041 (3.6249e-05% change) - linmin: converged after 5 iterations. - iteration 203: trace = 2.412674857623696 (1.64838e-05% change) - large trace change predicted (5.07416e-05%) - linmin: converged after 3 iterations. - iteration 204: trace = 2.412673633269721 (5.07468e-05% change) + iteration 386: trace = 2.45187549539224 (2.17841e-05% change) + large trace change predicted (8.68117e-05%) + linmin: converged after 6 iterations. + iteration 387: trace = 2.451873368622136 (8.67406e-05% change) linmin: converged after 3 iterations. - iteration 205: trace = 2.412673233810707 (1.65567e-05% change) + iteration 388: trace = 2.451872082836896 (5.24409e-05% change) linmin: converged after 4 iterations. - iteration 206: trace = 2.412672620441537 (2.54228e-05% change) - linmin: converged after 3 iterations. - iteration 207: trace = 2.41267212468961 (2.05478e-05% change) - linmin: converged after 15 iterations. - iteration 208: trace = 2.412671819520183 (1.26486e-05% change) - large trace change predicted (3.39637e-05%) + iteration 389: trace = 2.451870495250139 (6.475e-05% change) linmin: converged after 3 iterations. - iteration 209: trace = 2.412671000128994 (3.3962e-05% change) - resetting CG direction... + iteration 390: trace = 2.451868894652402 (6.52807e-05% change) linmin: converged after 3 iterations. - iteration 210: trace = 2.412670635038857 (1.51322e-05% change) - linmin: converged after 5 iterations. - iteration 211: trace = 2.412670523083993 (4.64029e-06% change) - large trace change predicted (1.04515e-05%) - linmin: converged after 4 iterations. - iteration 212: trace = 2.412670271047332 (1.04464e-05% change) + iteration 391: trace = 2.45186812392295 (3.14344e-05% change) linmin: converged after 3 iterations. - iteration 213: trace = 2.412670053721547 (9.00769e-06% change) + iteration 392: trace = 2.451866927200232 (4.88086e-05% change) linmin: converged after 5 iterations. - iteration 214: trace = 2.412669936754242 (4.84804e-06% change) - large trace change predicted (1.68391e-05%) - linmin: converged after 4 iterations. - iteration 215: trace = 2.412669530553186 (1.68362e-05% change) + iteration 393: trace = 2.451865896469277 (4.20386e-05% change) linmin: converged after 4 iterations. - iteration 216: trace = 2.412669438237494 (3.82629e-06% change) - large trace change predicted (9.47496e-06%) - linmin: converged after 3 iterations. - iteration 217: trace = 2.412669209609661 (9.47614e-06% change) + iteration 394: trace = 2.451865419198463 (1.94656e-05% change) linmin: converged after 3 iterations. - iteration 218: trace = 2.412668914756718 (1.2221e-05% change) - linmin: converged after 4 iterations. - iteration 219: trace = 2.412668820510233 (3.90632e-06% change) - large trace change predicted (1.25473e-05%) - linmin: converged after 23 iterations. - iteration 220: trace = 2.412668517790209 (1.25471e-05% change) - linmin: converged after 3 iterations. - iteration 221: trace = 2.412668212066454 (1.26716e-05% change) - linmin: converged after 4 iterations. - iteration 222: trace = 2.412668105349921 (4.42317e-06% change) - large trace change predicted (9.06687e-06%) + iteration 395: trace = 2.451865095840802 (1.31882e-05% change) + linmin: converged after 14 iterations. + iteration 396: trace = 2.45186446286035 (2.58163e-05% change) linmin: converged after 4 iterations. - iteration 223: trace = 2.412667886535738 (9.06939e-06% change) - linmin: converged after 3 iterations. - iteration 224: trace = 2.412667551571672 (1.38836e-05% change) - linmin: converged after 5 iterations. - iteration 225: trace = 2.412667418317509 (5.52311e-06% change) - large trace change predicted (1.77248e-05%) - linmin: converged after 3 iterations. - iteration 226: trace = 2.412666990673851 (1.77249e-05% change) - linmin: converged after 3 iterations. - iteration 227: trace = 2.412666776970278 (8.85757e-06% change) - linmin: converged after 5 iterations. - iteration 228: trace = 2.412666431262663 (1.43289e-05% change) - linmin: converged after 3 iterations. - iteration 229: trace = 2.412666125812491 (1.26603e-05% change) - linmin: converged after 3 iterations. - iteration 230: trace = 2.412665851676855 (1.13624e-05% change) - linmin: converged after 5 iterations. - iteration 231: trace = 2.412665377691057 (1.96457e-05% change) + iteration 397: trace = 2.451864343895994 (4.852e-06% change) + large trace change predicted (2.14392e-05%) linmin: converged after 4 iterations. - iteration 232: trace = 2.412664779517022 (2.47931e-05% change) - linmin: converged after 19 iterations. - iteration 233: trace = 2.412664678921302 (4.16949e-06% change) - large trace change predicted (8.35371e-06%) + iteration 398: trace = 2.451863818247637 (2.14387e-05% change) linmin: converged after 3 iterations. - iteration 234: trace = 2.412664477366697 (8.35403e-06% change) - linmin: converged after 17 iterations. - iteration 235: trace = 2.412664310952648 (6.89752e-06% change) - linmin: converged after 4 iterations. - iteration 236: trace = 2.412664249100853 (2.56363e-06% change) + iteration 399: trace = 2.451863443517341 (1.52835e-05% change) linmin: converged after 3 iterations. - iteration 237: trace = 2.412664165169105 (3.4788e-06% change) - linmin: converged after 13 iterations. - iteration 238: trace = 2.412664016321722 (6.16942e-06% change) - linmin: converged after 13 iterations. - iteration 239: trace = 2.412663996352473 (8.27685e-07% change) - large trace change predicted (4.26442e-06%) - linmin: converged after 4 iterations. - iteration 240: trace = 2.41266389347136 (4.26421e-06% change) - linmin: converged after 5 iterations. - iteration 241: trace = 2.412663778283752 (4.77429e-06% change) + iteration 400: trace = 2.451863225452479 (8.89384e-06% change) + large trace change predicted (2.65192e-05%) linmin: converged after 4 iterations. - iteration 242: trace = 2.412663722755496 (2.30153e-06% change) - large trace change predicted (1.0114e-05%) - linmin: converged after 7 iterations. - iteration 243: trace = 2.412663478869021 (1.01086e-05% change) - linmin: converged after 5 iterations. - iteration 244: trace = 2.41266317212621 (1.27139e-05% change) - linmin: converged after 6 iterations. - iteration 245: trace = 2.41266297506366 (8.16784e-06% change) + iteration 401: trace = 2.45186257519302 (2.6521e-05% change) linmin: converged after 3 iterations. - iteration 246: trace = 2.41266271685295 (1.07023e-05% change) - linmin: converged after 5 iterations. - iteration 247: trace = 2.412662461733278 (1.05742e-05% change) - linmin: converged after 18 iterations. - iteration 248: trace = 2.412662228422914 (9.67025e-06% change) + iteration 402: trace = 2.451861716247182 (3.50324e-05% change) linmin: converged after 4 iterations. - iteration 249: trace = 2.412661773182021 (1.88688e-05% change) + iteration 403: trace = 2.451861382780371 (1.36006e-05% change) + large trace change predicted (4.94018e-05%) linmin: converged after 3 iterations. - iteration 250: trace = 2.412661637750159 (5.61338e-06% change) - large trace change predicted (2.26682e-05%) - linmin: converged after 24 iterations. - iteration 251: trace = 2.412661091485077 (2.26416e-05% change) - linmin: converged after 7 iterations. - iteration 252: trace = 2.412660438716966 (2.70559e-05% change) - linmin: converged after 5 iterations. - iteration 253: trace = 2.412660310164648 (5.32824e-06% change) + iteration 404: trace = 2.451860170893148 (4.94272e-05% change) linmin: converged after 4 iterations. - iteration 254: trace = 2.412660085800419 (9.29945e-06% change) + iteration 405: trace = 2.451858946489476 (4.99378e-05% change) linmin: converged after 4 iterations. - iteration 255: trace = 2.412659729610447 (1.47634e-05% change) - linmin: converged after 5 iterations. - iteration 256: trace = 2.412659683191008 (1.92399e-06% change) - large trace change predicted (1.0624e-05%) + iteration 406: trace = 2.451858094761597 (3.47381e-05% change) linmin: converged after 3 iterations. - iteration 257: trace = 2.412659426946115 (1.06208e-05% change) - linmin: converged after 4 iterations. - iteration 258: trace = 2.412659371642552 (2.29222e-06% change) + iteration 407: trace = 2.451856715780951 (5.62423e-05% change) linmin: converged after 3 iterations. - iteration 259: trace = 2.412659310609675 (2.52969e-06% change) - large trace change predicted (5.13713e-06%) - linmin: converged after 5 iterations. - iteration 260: trace = 2.412659186680136 (5.13664e-06% change) - linmin: converged after 12 iterations. - iteration 261: trace = 2.412659125243518 (2.54643e-06% change) - linmin: converged after 2 iterations. - iteration 262: trace = 2.412659033305007 (3.81067e-06% change) - large trace change predicted (9.87101e-06%) - linmin: converged after 5 iterations. - iteration 263: trace = 2.412658795202499 (9.86888e-06% change) + iteration 408: trace = 2.451854967948054 (7.12861e-05% change) linmin: converged after 3 iterations. - iteration 264: trace = 2.412658738680189 (2.34274e-06% change) - large trace change predicted (8.80589e-06%) - linmin: converged after 2 iterations. - iteration 265: trace = 2.412658526220048 (8.80606e-06% change) + iteration 409: trace = 2.451854196972057 (3.14446e-05% change) linmin: converged after 3 iterations. - iteration 266: trace = 2.412658132254595 (1.63291e-05% change) + iteration 410: trace = 2.451852709685128 (6.06597e-05% change) linmin: converged after 3 iterations. - iteration 267: trace = 2.412658017236789 (4.76727e-06% change) - large trace change predicted (3.84844e-05%) + iteration 411: trace = 2.451851494137626 (4.95767e-05% change) linmin: converged after 4 iterations. - iteration 268: trace = 2.412657088640636 (3.84885e-05% change) - linmin: converged after 3 iterations. - iteration 269: trace = 2.412656325874492 (3.16152e-05% change) - linmin: converged after 10 iterations. - iteration 270: trace = 2.412655894103643 (1.78961e-05% change) - linmin: converged after 3 iterations. - iteration 271: trace = 2.412655342648407 (2.28568e-05% change) - linmin: converged after 7 iterations. - iteration 272: trace = 2.412654787288747 (2.30186e-05% change) - linmin: converged after 3 iterations. - iteration 273: trace = 2.412654510433383 (1.14751e-05% change) - linmin: converged after 3 iterations. - iteration 274: trace = 2.412654095695024 (1.71901e-05% change) + iteration 412: trace = 2.451851163798592 (1.3473e-05% change) + large trace change predicted (3.84622e-05%) linmin: converged after 4 iterations. - iteration 275: trace = 2.412653995943947 (4.1345e-06% change) - large trace change predicted (1.38231e-05%) + iteration 413: trace = 2.451850220467217 (3.84743e-05% change) linmin: converged after 2 iterations. - iteration 276: trace = 2.412653662440402 (1.38231e-05% change) + iteration 414: trace = 2.451849844476999 (1.5335e-05% change) linmin: converged after 3 iterations. - iteration 277: trace = 2.412653369848869 (1.21274e-05% change) - linmin: converged after 4 iterations. - iteration 278: trace = 2.412653158593952 (8.75612e-06% change) - large trace change predicted (1.76163e-05%) + iteration 415: trace = 2.451849630812092 (8.71444e-06% change) + large trace change predicted (2.28903e-05%) + linmin: converged after 21 iterations. + iteration 416: trace = 2.451849069568999 (2.28906e-05% change) linmin: converged after 3 iterations. - iteration 279: trace = 2.412652733207408 (1.76315e-05% change) - resetting CG direction... - linmin: converged after 14 iterations. - iteration 280: trace = 2.41265247281537 (1.07928e-05% change) + iteration 417: trace = 2.451848673824089 (1.61407e-05% change) linmin: converged after 3 iterations. - iteration 281: trace = 2.412652382530291 (3.74215e-06% change) + iteration 418: trace = 2.451848281369153 (1.60065e-05% change) + large trace change predicted (9.91326e-05%) linmin: converged after 3 iterations. - iteration 282: trace = 2.412652272545112 (4.55868e-06% change) + iteration 419: trace = 2.451845850047323 (9.91629e-05% change) + resetting CG direction... linmin: converged after 4 iterations. - iteration 283: trace = 2.412652153279442 (4.94334e-06% change) - linmin: converged after 3 iterations. - iteration 284: trace = 2.412652069064122 (3.49057e-06% change) - large trace change predicted (7.44781e-06%) - linmin: converged after 3 iterations. - iteration 285: trace = 2.412651889353411 (7.44868e-06% change) - linmin: converged after 5 iterations. - iteration 286: trace = 2.412651807950601 (3.374e-06% change) - large trace change predicted (8.55983e-06%) - linmin: converged after 5 iterations. - iteration 287: trace = 2.412651601399093 (8.56118e-06% change) - linmin: converged after 3 iterations. - iteration 288: trace = 2.41265134776607 (1.05126e-05% change) - linmin: converged after 6 iterations. - iteration 289: trace = 2.412651210576856 (5.68624e-06% change) - large trace change predicted (2.11423e-05%) - linmin: converged after 5 iterations. - iteration 290: trace = 2.412650700452094 (2.11437e-05% change) + iteration 420: trace = 2.451843950690777 (7.74664e-05% change) linmin: converged after 4 iterations. - iteration 291: trace = 2.412650186182307 (2.13156e-05% change) + iteration 421: trace = 2.451843624674405 (1.32968e-05% change) + linmin: converged after 14 iterations. + iteration 422: trace = 2.451843066132356 (2.27805e-05% change) linmin: converged after 4 iterations. - iteration 292: trace = 2.412650005642272 (7.48306e-06% change) + iteration 423: trace = 2.451842745856398 (1.30627e-05% change) linmin: converged after 4 iterations. - iteration 293: trace = 2.41264964732795 (1.48515e-05% change) - linmin: converged after 3 iterations. - iteration 294: trace = 2.412649281319745 (1.51704e-05% change) - linmin: converged after 23 iterations. - iteration 295: trace = 2.412649107305584 (7.21258e-06% change) - large trace change predicted (1.4932e-05%) - linmin: converged after 3 iterations. - iteration 296: trace = 2.412648746990333 (1.49344e-05% change) - linmin: converged after 3 iterations. - iteration 297: trace = 2.41264861779442 (5.35494e-06% change) - linmin: converged after 7 iterations. - iteration 298: trace = 2.4126484945826 (5.10691e-06% change) - linmin: converged after 17 iterations. - iteration 299: trace = 2.412648328066993 (6.90178e-06% change) + iteration 424: trace = 2.451842592361196 (6.2604e-06% change) + large trace change predicted (2.10183e-05%) linmin: converged after 5 iterations. - iteration 300: trace = 2.412648230735793 (4.03421e-06% change) - linmin: converged after 3 iterations. - iteration 301: trace = 2.412648147144485 (3.46471e-06% change) - large trace change predicted (7.7728e-06%) - linmin: converged after 3 iterations. - iteration 302: trace = 2.412647959596917 (7.77352e-06% change) + iteration 425: trace = 2.451842077067467 (2.10166e-05% change) linmin: converged after 4 iterations. - iteration 303: trace = 2.412647933716113 (1.07271e-06% change) - large trace change predicted (6.04568e-06%) + iteration 426: trace = 2.451841751252092 (1.32886e-05% change) + linmin: converged after 5 iterations. + iteration 427: trace = 2.451841180431256 (2.32813e-05% change) linmin: converged after 4 iterations. - iteration 304: trace = 2.412647787829529 (6.04674e-06% change) - linmin: converged after 3 iterations. - iteration 305: trace = 2.412647721862858 (2.7342e-06% change) + iteration 428: trace = 2.451840441441995 (3.01402e-05% change) linmin: converged after 3 iterations. - iteration 306: trace = 2.412647698379908 (9.73327e-07% change) - large trace change predicted (5.64425e-06%) + iteration 429: trace = 2.451840082281851 (1.46486e-05% change) + large trace change predicted (3.79754e-05%) linmin: converged after 3 iterations. - iteration 307: trace = 2.412647562163547 (5.64593e-06% change) - linmin: converged after 3 iterations. - iteration 308: trace = 2.412647475723582 (3.58278e-06% change) + iteration 430: trace = 2.451839151403521 (3.79665e-05% change) linmin: converged after 4 iterations. - iteration 309: trace = 2.412647438026662 (1.56247e-06% change) + iteration 431: trace = 2.451837731675142 (5.79046e-05% change) linmin: converged after 3 iterations. - iteration 310: trace = 2.41264738609407 (2.15251e-06% change) - linmin: converged after 5 iterations. - iteration 311: trace = 2.412647290849673 (3.94771e-06% change) + iteration 432: trace = 2.451837210309547 (2.12643e-05% change) + large trace change predicted (4.91341e-05%) linmin: converged after 3 iterations. - iteration 312: trace = 2.412647253081221 (1.56544e-06% change) - large trace change predicted (7.42294e-06%) + iteration 433: trace = 2.451836006098443 (4.91147e-05% change) + linmin: converged after 4 iterations. + iteration 434: trace = 2.451835213499288 (3.23268e-05% change) linmin: converged after 3 iterations. - iteration 313: trace = 2.412647073914257 (7.42616e-06% change) + iteration 435: trace = 2.451834928108672 (1.16399e-05% change) + linmin: converged after 4 iterations. + iteration 436: trace = 2.451834363631312 (2.30227e-05% change) + linmin: converged after 4 iterations. + iteration 437: trace = 2.451833903193787 (1.87793e-05% change) + linmin: converged after 2 iterations. + iteration 438: trace = 2.451833726259805 (7.21639e-06% change) linmin: converged after 3 iterations. - iteration 314: trace = 2.412646885328721 (7.81654e-06% change) + iteration 439: trace = 2.451833415359028 (1.26803e-05% change) + linmin: converged after 18 iterations. + iteration 440: trace = 2.451832984445468 (1.75752e-05% change) linmin: converged after 3 iterations. - iteration 315: trace = 2.412646663343649 (9.20089e-06% change) + iteration 441: trace = 2.45183290856045 (3.09503e-06% change) + large trace change predicted (1.33947e-05%) linmin: converged after 3 iterations. - iteration 316: trace = 2.412646318151616 (1.43076e-05% change) + iteration 442: trace = 2.451832580109345 (1.33961e-05% change) + linmin: converged after 5 iterations. + iteration 443: trace = 2.451832338175933 (9.86745e-06% change) linmin: converged after 4 iterations. - iteration 317: trace = 2.412646214127668 (4.31161e-06% change) + iteration 444: trace = 2.45183219636646 (5.78382e-06% change) + large trace change predicted (1.22116e-05%) linmin: converged after 4 iterations. - iteration 318: trace = 2.412646067344193 (6.08392e-06% change) - linmin: converged after 3 iterations. - iteration 319: trace = 2.41264583575738 (9.59887e-06% change) + iteration 445: trace = 2.451831896928478 (1.22128e-05% change) linmin: converged after 4 iterations. - iteration 320: trace = 2.412645804224127 (1.307e-06% change) - large trace change predicted (7.61745e-06%) + iteration 446: trace = 2.451831526943339 (1.50902e-05% change) linmin: converged after 4 iterations. - iteration 321: trace = 2.412645620375904 (7.62019e-06% change) + iteration 447: trace = 2.451831241942882 (1.1624e-05% change) + large trace change predicted (2.50118e-05%) linmin: converged after 4 iterations. - iteration 322: trace = 2.41264552950055 (3.76663e-06% change) - linmin: converged after 3 iterations. - iteration 323: trace = 2.412645495391833 (1.41375e-06% change) - large trace change predicted (3.06828e-06%) - linmin: converged after 3 iterations. - iteration 324: trace = 2.412645421363155 (3.06836e-06% change) + iteration 448: trace = 2.451830628536313 (2.50183e-05% change) linmin: converged after 4 iterations. - iteration 325: trace = 2.412645342340803 (3.27534e-06% change) - linmin: converged after 3 iterations. - iteration 326: trace = 2.41264532264753 (8.16252e-07% change) - large trace change predicted (4.32694e-06%) - linmin: converged after 3 iterations. - iteration 327: trace = 2.412645218238689 (4.32757e-06% change) - linmin: converged after 7 iterations. - iteration 328: trace = 2.412645185232851 (1.36804e-06% change) - linmin: converged after 3 iterations. - iteration 329: trace = 2.412645152284258 (1.36566e-06% change) - linmin: converged after 13 iterations. - iteration 330: trace = 2.412645099922987 (2.17028e-06% change) - linmin: converged after 5 iterations. - iteration 331: trace = 2.412645076791193 (9.58773e-07% change) - large trace change predicted (2.98895e-06%) + iteration 449: trace = 2.451829769339551 (3.50431e-05% change) linmin: converged after 4 iterations. - iteration 332: trace = 2.412645004685459 (2.98866e-06% change) + iteration 450: trace = 2.451829513667641 (1.04278e-05% change) + large trace change predicted (5.12667e-05%) linmin: converged after 3 iterations. - iteration 333: trace = 2.412644884110045 (4.99764e-06% change) - linmin: converged after 3 iterations. - iteration 334: trace = 2.412644834105687 (2.0726e-06% change) - large trace change predicted (6.6527e-06%) - linmin: converged after 3 iterations. - iteration 335: trace = 2.412644673589769 (6.65311e-06% change) - linmin: converged after 5 iterations. - iteration 336: trace = 2.41264452848114 (6.0145e-06% change) + iteration 451: trace = 2.451828255247345 (5.13258e-05% change) linmin: converged after 4 iterations. - iteration 337: trace = 2.41264445678108 (2.97185e-06% change) - large trace change predicted (1.39576e-05%) - linmin: converged after 3 iterations. - iteration 338: trace = 2.4126441200145 (1.39584e-05% change) - linmin: converged after 3 iterations. - iteration 339: trace = 2.412643800907788 (1.32264e-05% change) + iteration 452: trace = 2.451827487037951 (3.13321e-05% change) + linmin: converged after 4 iterations. + iteration 453: trace = 2.451827191563047 (1.20512e-05% change) linmin: converged after 4 iterations. - iteration 340: trace = 2.412643706491794 (3.91338e-06% change) - large trace change predicted (8.6777e-06%) + iteration 454: trace = 2.45182668409703 (2.06975e-05% change) linmin: converged after 3 iterations. - iteration 341: trace = 2.412643497094058 (8.67918e-06% change) + iteration 455: trace = 2.45182625408592 (1.75384e-05% change) + linmin: converged after 2 iterations. + iteration 456: trace = 2.451826108046429 (5.95636e-06% change) + large trace change predicted (1.7178e-05%) linmin: converged after 3 iterations. - iteration 342: trace = 2.412643395308863 (4.21882e-06% change) + iteration 457: trace = 2.451825686783585 (1.71816e-05% change) linmin: converged after 3 iterations. - iteration 343: trace = 2.412643322490218 (3.01821e-06% change) - large trace change predicted (6.51432e-06%) + iteration 458: trace = 2.451825517795057 (6.89236e-06% change) linmin: converged after 3 iterations. - iteration 344: trace = 2.412643165327341 (6.51414e-06% change) + iteration 459: trace = 2.451825299256018 (8.91332e-06% change) linmin: converged after 3 iterations. - iteration 345: trace = 2.412643147370928 (7.44263e-07% change) - large trace change predicted (2.9329e-06%) - linmin: converged after 4 iterations. - iteration 346: trace = 2.412643076620209 (2.9325e-06% change) + iteration 460: trace = 2.451825039661105 (1.05878e-05% change) linmin: converged after 3 iterations. - iteration 347: trace = 2.412643019204381 (2.37979e-06% change) - linmin: converged after 6 iterations. - iteration 348: trace = 2.412643001179429 (7.47104e-07% change) - large trace change predicted (3.47784e-06%) - linmin: converged after 14 iterations. - iteration 349: trace = 2.412642917281606 (3.47742e-06% change) - resetting CG direction... + iteration 461: trace = 2.451824905336032 (5.47858e-06% change) linmin: converged after 2 iterations. - iteration 350: trace = 2.412642860814064 (2.34048e-06% change) - linmin: converged after 4 iterations. - iteration 351: trace = 2.4126428466326 (5.87798e-07% change) - large trace change predicted (1.85754e-06%) - linmin: converged after 3 iterations. - iteration 352: trace = 2.412642801821691 (1.85734e-06% change) + iteration 462: trace = 2.451824737578505 (6.84215e-06% change) + linmin: converged after 5 iterations. + iteration 463: trace = 2.451824549394036 (7.67528e-06% change) + linmin: converged after 17 iterations. + iteration 464: trace = 2.451824362585094 (7.61918e-06% change) linmin: converged after 2 iterations. - iteration 353: trace = 2.412642759873036 (1.7387e-06% change) + iteration 465: trace = 2.451824245603984 (4.77119e-06% change) + large trace change predicted (1.53742e-05%) linmin: converged after 3 iterations. - iteration 354: trace = 2.412642745167841 (6.09506e-07% change) - large trace change predicted (4.8191e-06%) - linmin: converged after 14 iterations. - iteration 355: trace = 2.412642628896069 (4.81927e-06% change) - linmin: converged after 3 iterations. - iteration 356: trace = 2.412642590783856 (1.57969e-06% change) - large trace change predicted (4.07934e-06%) - linmin: converged after 4 iterations. - iteration 357: trace = 2.412642492332208 (4.08066e-06% change) + iteration 466: trace = 2.4518238686948 (1.53726e-05% change) linmin: converged after 4 iterations. - iteration 358: trace = 2.412642373403223 (4.92941e-06% change) - linmin: converged after 4 iterations. - iteration 359: trace = 2.412642326373659 (1.9493e-06% change) - large trace change predicted (8.97879e-06%) - linmin: converged after 4 iterations. - iteration 360: trace = 2.412642109757285 (8.97839e-06% change) - linmin: converged after 17 iterations. - iteration 361: trace = 2.412641927747216 (7.54401e-06% change) + iteration 467: trace = 2.451823789685672 (3.22246e-06% change) + large trace change predicted (1.69578e-05%) linmin: converged after 5 iterations. - iteration 362: trace = 2.412641826412623 (4.20015e-06% change) + iteration 468: trace = 2.451823374023173 (1.69532e-05% change) linmin: converged after 6 iterations. - iteration 363: trace = 2.412641665571785 (6.66659e-06% change) - linmin: converged after 5 iterations. - iteration 364: trace = 2.412641550509427 (4.76914e-06% change) - linmin: converged after 4 iterations. - iteration 365: trace = 2.412641493264817 (2.37269e-06% change) - large trace change predicted (4.75837e-06%) - linmin: converged after 24 iterations. - iteration 366: trace = 2.412641378467331 (4.75817e-06% change) - linmin: converged after 2 iterations. - iteration 367: trace = 2.412641347494812 (1.28376e-06% change) - linmin: converged after 3 iterations. - iteration 368: trace = 2.412641300585301 (1.94432e-06% change) - linmin: converged after 4 iterations. - iteration 369: trace = 2.412641258766916 (1.7333e-06% change) + iteration 469: trace = 2.451822864485344 (2.0782e-05% change) linmin: converged after 3 iterations. - iteration 370: trace = 2.412641211920094 (1.94172e-06% change) + iteration 470: trace = 2.451822449839636 (1.69117e-05% change) linmin: converged after 3 iterations. - iteration 371: trace = 2.412641198268954 (5.65817e-07% change) - large trace change predicted (2.9775e-06%) - linmin: converged after 4 iterations. - iteration 372: trace = 2.412641126436468 (2.97734e-06% change) - linmin: converged after 4 iterations. - iteration 373: trace = 2.412641114033097 (5.14099e-07% change) - large trace change predicted (2.09934e-06%) - linmin: converged after 22 iterations. - iteration 374: trace = 2.412641063385723 (2.09925e-06% change) + iteration 471: trace = 2.451822008179218 (1.80136e-05% change) linmin: converged after 4 iterations. - iteration 375: trace = 2.41264102127427 (1.74545e-06% change) - linmin: converged after 3 iterations. - iteration 376: trace = 2.412640986664866 (1.4345e-06% change) - linmin: converged after 14 iterations. - iteration 377: trace = 2.412640955207891 (1.30384e-06% change) - large trace change predicted (3.37431e-06%) - linmin: converged after 3 iterations. - iteration 378: trace = 2.412640873816279 (3.37355e-06% change) - linmin: converged after 3 iterations. - iteration 379: trace = 2.41264085548483 (7.59808e-07% change) - large trace change predicted (3.97488e-06%) - linmin: converged after 3 iterations. - iteration 380: trace = 2.412640759608501 (3.97392e-06% change) - linmin: converged after 3 iterations. - iteration 381: trace = 2.412640671475462 (3.65297e-06% change) + iteration 472: trace = 2.451821457004366 (2.24802e-05% change) linmin: converged after 3 iterations. - iteration 382: trace = 2.412640608200674 (2.62264e-06% change) - large trace change predicted (8.67062e-06%) + iteration 473: trace = 2.451821238319227 (8.91929e-06% change) linmin: converged after 8 iterations. - iteration 383: trace = 2.41264039919422 (8.66298e-06% change) + iteration 474: trace = 2.451820876088548 (1.47739e-05% change) linmin: converged after 3 iterations. - iteration 384: trace = 2.41264019909772 (8.29367e-06% change) + iteration 475: trace = 2.451820485177624 (1.59437e-05% change) linmin: converged after 3 iterations. - iteration 385: trace = 2.412640128006184 (2.94663e-06% change) - linmin: converged after 3 iterations. - iteration 386: trace = 2.412640001639197 (5.23771e-06% change) - linmin: converged after 3 iterations. - iteration 387: trace = 2.412639924331287 (3.20429e-06% change) + iteration 476: trace = 2.451820356559341 (5.24583e-06% change) + large trace change predicted (1.10405e-05%) linmin: converged after 2 iterations. - iteration 388: trace = 2.412639886110255 (1.5842e-06% change) - large trace change predicted (3.84595e-06%) - linmin: converged after 4 iterations. - iteration 389: trace = 2.412639793340888 (3.84514e-06% change) + iteration 477: trace = 2.451820085863494 (1.10406e-05% change) linmin: converged after 3 iterations. - iteration 390: trace = 2.412639747643779 (1.89407e-06% change) - linmin: converged after 3 iterations. - iteration 391: trace = 2.412639707895823 (1.64749e-06% change) - linmin: converged after 5 iterations. - iteration 392: trace = 2.4126396322545 (3.13521e-06% change) - linmin: converged after 11 iterations. - iteration 393: trace = 2.412639615539385 (6.92814e-07% change) - large trace change predicted (1.57425e-06%) - linmin: converged after 5 iterations. - iteration 394: trace = 2.412639577561713 (1.57411e-06% change) - linmin: converged after 4 iterations. - iteration 395: trace = 2.412639520283287 (2.3741e-06% change) - linmin: converged after 3 iterations. - iteration 396: trace = 2.412639510882351 (3.89654e-07% change) - large trace change predicted (3.27357e-06%) - linmin: converged after 3 iterations. - iteration 397: trace = 2.412639431909297 (3.27331e-06% change) + iteration 478: trace = 2.451819892596907 (7.88258e-06% change) + linmin: converged after 2 iterations. + iteration 479: trace = 2.451819831349287 (2.49805e-06% change) + large trace change predicted (9.19819e-06%) linmin: converged after 4 iterations. - iteration 398: trace = 2.412639406681856 (1.04564e-06% change) + iteration 480: trace = 2.451819605827632 (9.19813e-06% change) linmin: converged after 2 iterations. - iteration 399: trace = 2.412639373387683 (1.37999e-06% change) - large trace change predicted (2.78365e-06%) - linmin: converged after 3 iterations. - iteration 400: trace = 2.41263930622236 (2.78389e-06% change) - linmin: converged after 3 iterations. - iteration 401: trace = 2.41263926222349 (1.82368e-06% change) - linmin: converged after 8 iterations. - iteration 402: trace = 2.412639206480723 (2.31045e-06% change) - large trace change predicted (5.86802e-06%) + iteration 481: trace = 2.451819405214963 (8.1822e-06% change) + linmin: converged after 2 iterations. + iteration 482: trace = 2.451819347565765 (2.35128e-06% change) + large trace change predicted (5.16341e-06%) + linmin: converged after 2 iterations. + iteration 483: trace = 2.451819220963527 (5.1636e-06% change) linmin: converged after 3 iterations. - iteration 403: trace = 2.412639064897671 (5.86839e-06% change) - linmin: converged after 6 iterations. - iteration 404: trace = 2.412639033928283 (1.28363e-06% change) - large trace change predicted (1.07094e-05%) + iteration 484: trace = 2.451819081585981 (5.68466e-06% change) + linmin: converged after 2 iterations. + iteration 485: trace = 2.4518190342368 (1.93119e-06% change) + large trace change predicted (1.03119e-05%) linmin: converged after 3 iterations. - iteration 405: trace = 2.41263877556923 (1.07086e-05% change) + iteration 486: trace = 2.451818781388422 (1.03127e-05% change) linmin: converged after 3 iterations. - iteration 406: trace = 2.412638628753053 (6.08529e-06% change) + iteration 487: trace = 2.451818518031742 (1.07413e-05% change) + linmin: converged after 2 iterations. + iteration 488: trace = 2.451818404325718 (4.63762e-06% change) + large trace change predicted (1.8536e-05%) linmin: converged after 3 iterations. - iteration 407: trace = 2.412638525914129 (4.26251e-06% change) - large trace change predicted (1.13211e-05%) + iteration 489: trace = 2.451817949809105 (1.85379e-05% change) + resetting CG direction... linmin: converged after 4 iterations. - iteration 408: trace = 2.412638252752962 (1.13221e-05% change) - linmin: converged after 3 iterations. - iteration 409: trace = 2.412638016072187 (9.81004e-06% change) - linmin: converged after 3 iterations. - iteration 410: trace = 2.412637947765857 (2.83119e-06% change) + iteration 490: trace = 2.451817600545078 (1.42451e-05% change) + linmin: converged after 2 iterations. + iteration 491: trace = 2.451817460765531 (5.70106e-06% change) + linmin: converged after 12 iterations. + iteration 492: trace = 2.451817194439035 (1.08624e-05% change) linmin: converged after 3 iterations. - iteration 411: trace = 2.412637835896647 (4.6368e-06% change) - linmin: converged after 4 iterations. - iteration 412: trace = 2.412637777611123 (2.41584e-06% change) - linmin: converged after 5 iterations. - iteration 413: trace = 2.412637743025151 (1.43353e-06% change) - large trace change predicted (2.96883e-06%) + iteration 493: trace = 2.451816998496629 (7.99172e-06% change) linmin: converged after 3 iterations. - iteration 414: trace = 2.412637671396636 (2.96889e-06% change) - linmin: converged after 4 iterations. - iteration 415: trace = 2.412637652685788 (7.75535e-07% change) - large trace change predicted (1.67606e-06%) + iteration 494: trace = 2.451816919152177 (3.23615e-06% change) linmin: converged after 2 iterations. - iteration 416: trace = 2.412637612247869 (1.67609e-06% change) + iteration 495: trace = 2.451816799793207 (4.86818e-06% change) + linmin: converged after 3 iterations. + iteration 496: trace = 2.451816701035565 (4.02794e-06% change) linmin: converged after 2 iterations. - iteration 417: trace = 2.412637561461501 (2.10501e-06% change) + iteration 497: trace = 2.451816624226375 (3.13275e-06% change) + large trace change predicted (6.81379e-06%) linmin: converged after 3 iterations. - iteration 418: trace = 2.412637538178108 (9.6506e-07% change) - large trace change predicted (2.09449e-06%) + iteration 498: trace = 2.451816457155024 (6.81419e-06% change) linmin: converged after 2 iterations. - iteration 419: trace = 2.412637487645316 (2.0945e-06% change) - resetting CG direction... + iteration 499: trace = 2.451816421378024 (1.4592e-06% change) + large trace change predicted (7.49992e-06%) + linmin: converged after 4 iterations. + iteration 500: trace = 2.451816237482721 (7.50037e-06% change) linmin: converged after 2 iterations. - iteration 420: trace = 2.412637441782021 (1.90096e-06% change) - linmin: converged after 19 iterations. - iteration 421: trace = 2.41263742207711 (8.16737e-07% change) - large trace change predicted (1.83148e-06%) + iteration 501: trace = 2.451816099791243 (5.6159e-06% change) linmin: converged after 3 iterations. - iteration 422: trace = 2.412637377890678 (1.83146e-06% change) - linmin: converged after 2 iterations. - iteration 423: trace = 2.412637336676159 (1.70828e-06% change) + iteration 502: trace = 2.451815969897973 (5.29784e-06% change) + linmin: converged after 11 iterations. + iteration 503: trace = 2.451815774566423 (7.96681e-06% change) linmin: converged after 3 iterations. - iteration 424: trace = 2.4126373204275 (6.73481e-07% change) - large trace change predicted (2.60235e-06%) + iteration 504: trace = 2.451815458785195 (1.28795e-05% change) linmin: converged after 2 iterations. - iteration 425: trace = 2.412637257641774 (2.60237e-06% change) + iteration 505: trace = 2.451815346831649 (4.56615e-06% change) + large trace change predicted (1.2897e-05%) linmin: converged after 3 iterations. - iteration 426: trace = 2.412637215579251 (1.74343e-06% change) - linmin: converged after 2 iterations. - iteration 427: trace = 2.412637178234246 (1.54789e-06% change) - large trace change predicted (3.8197e-06%) + iteration 506: trace = 2.451815030586898 (1.28984e-05% change) linmin: converged after 4 iterations. - iteration 428: trace = 2.412637086076163 (3.81981e-06% change) + iteration 507: trace = 2.451814640411552 (1.59137e-05% change) linmin: converged after 3 iterations. - iteration 429: trace = 2.412637012246496 (3.06012e-06% change) - large trace change predicted (6.57945e-06%) - linmin: converged after 4 iterations. - iteration 430: trace = 2.41263685350838 (6.57944e-06% change) - linmin: converged after 3 iterations. - iteration 431: trace = 2.412636622479167 (9.5758e-06% change) - linmin: converged after 3 iterations. - iteration 432: trace = 2.412636555197012 (2.78874e-06% change) + iteration 508: trace = 2.45181448399646 (6.37956e-06% change) + large trace change predicted (1.72657e-05%) linmin: converged after 5 iterations. - iteration 433: trace = 2.412636466973223 (3.65674e-06% change) - large trace change predicted (7.39679e-06%) - linmin: converged after 3 iterations. - iteration 434: trace = 2.412636288454161 (7.39934e-06% change) - linmin: converged after 3 iterations. - iteration 435: trace = 2.41263626488539 (9.76889e-07% change) - large trace change predicted (3.91073e-06%) - linmin: converged after 3 iterations. - iteration 436: trace = 2.4126361705212 (3.91125e-06% change) - linmin: converged after 3 iterations. - iteration 437: trace = 2.412636134789171 (1.48104e-06% change) - linmin: converged after 4 iterations. - iteration 438: trace = 2.412636110007766 (1.02715e-06% change) - linmin: converged after 9 iterations. - iteration 439: trace = 2.412636071751146 (1.58568e-06% change) - linmin: converged after 31 iterations. - iteration 440: trace = 2.412636039109053 (1.35296e-06% change) + iteration 509: trace = 2.451814060606937 (1.72684e-05% change) + linmin: converged after 5 iterations. + iteration 510: trace = 2.451813722147002 (1.38045e-05% change) linmin: converged after 3 iterations. - iteration 441: trace = 2.412636027007419 (5.01594e-07% change) - large trace change predicted (1.92849e-06%) + iteration 511: trace = 2.451813529235664 (7.86811e-06% change) linmin: converged after 4 iterations. - iteration 442: trace = 2.412635980474882 (1.9287e-06% change) - linmin: converged after 18 iterations. - iteration 443: trace = 2.412635969967932 (4.35497e-07% change) - linmin: converged after 22 iterations. - iteration 444: trace = 2.412635953132072 (6.9782e-07% change) - large trace change predicted (1.71894e-06%) + iteration 512: trace = 2.451813287237623 (9.87017e-06% change) linmin: converged after 3 iterations. - iteration 445: trace = 2.412635911653299 (1.71923e-06% change) + iteration 513: trace = 2.451813041095243 (1.00392e-05% change) linmin: converged after 6 iterations. - iteration 446: trace = 2.412635887970593 (9.81611e-07% change) - linmin: converged after 3 iterations. - iteration 447: trace = 2.412635853330581 (1.43577e-06% change) - linmin: converged after 28 iterations. - iteration 448: trace = 2.412635819218591 (1.41389e-06% change) + iteration 514: trace = 2.451812993414059 (1.94473e-06% change) + large trace change predicted (5.54037e-06%) linmin: converged after 4 iterations. - iteration 449: trace = 2.41263579128726 (1.15771e-06% change) - linmin: converged after 3 iterations. - iteration 450: trace = 2.412635767594516 (9.82027e-07% change) - large trace change predicted (2.44905e-06%) - linmin: converged after 3 iterations. - iteration 451: trace = 2.412635708495891 (2.44955e-06% change) - linmin: converged after 3 iterations. - iteration 452: trace = 2.412635681818879 (1.10572e-06% change) - large trace change predicted (2.96295e-06%) - linmin: converged after 3 iterations. - iteration 453: trace = 2.412635610308005 (2.96401e-06% change) - linmin: converged after 3 iterations. - iteration 454: trace = 2.412635491501598 (4.92434e-06% change) + iteration 515: trace = 2.451812857553668 (5.54122e-06% change) + linmin: converged after 8 iterations. + iteration 516: trace = 2.451812739132617 (4.82994e-06% change) linmin: converged after 3 iterations. - iteration 455: trace = 2.412635469435086 (9.14623e-07% change) - large trace change predicted (5.20183e-06%) + iteration 517: trace = 2.451812700153337 (1.58981e-06% change) + large trace change predicted (7.84836e-06%) linmin: converged after 3 iterations. - iteration 456: trace = 2.412635343835833 (5.20589e-06% change) + iteration 518: trace = 2.451812507717847 (7.8487e-06% change) + linmin: converged after 4 iterations. + iteration 519: trace = 2.451812353496975 (6.29008e-06% change) linmin: converged after 3 iterations. - iteration 457: trace = 2.412635286484016 (2.37714e-06% change) + iteration 520: trace = 2.451812249626924 (4.23646e-06% change) linmin: converged after 3 iterations. - iteration 458: trace = 2.412635269603972 (6.99652e-07% change) - large trace change predicted (3.02647e-06%) + iteration 521: trace = 2.451812094040965 (6.34575e-06% change) + linmin: converged after 18 iterations. + iteration 522: trace = 2.451811832629098 (1.0662e-05% change) linmin: converged after 5 iterations. - iteration 459: trace = 2.412635196560519 (3.02754e-06% change) - linmin: converged after 3 iterations. - iteration 460: trace = 2.412635172238826 (1.0081e-06% change) - linmin: converged after 8 iterations. - iteration 461: trace = 2.412635154385368 (7.39998e-07% change) - linmin: converged after 3 iterations. - iteration 462: trace = 2.412635131292329 (9.57171e-07% change) - linmin: converged after 3 iterations. - iteration 463: trace = 2.412635108744785 (9.34561e-07% change) - linmin: converged after 16 iterations. - iteration 464: trace = 2.412635101743762 (2.90182e-07% change) - large trace change predicted (1.16654e-06%) - linmin: converged after 3 iterations. - iteration 465: trace = 2.412635073596187 (1.16667e-06% change) + iteration 523: trace = 2.451811744866329 (3.57951e-06% change) + large trace change predicted (8.856e-06%) linmin: converged after 4 iterations. - iteration 466: trace = 2.412635058993712 (6.0525e-07% change) + iteration 524: trace = 2.451811527757906 (8.85502e-06% change) linmin: converged after 3 iterations. - iteration 467: trace = 2.412635037158811 (9.05023e-07% change) + iteration 525: trace = 2.451811250794709 (1.12963e-05% change) linmin: converged after 3 iterations. - iteration 468: trace = 2.412635024141069 (5.39565e-07% change) - linmin: converged after 30 iterations. - iteration 469: trace = 2.412635008142534 (6.63115e-07% change) + iteration 526: trace = 2.451811094994273 (6.3545e-06% change) + large trace change predicted (1.62494e-05%) + linmin: converged after 4 iterations. + iteration 527: trace = 2.451810696698668 (1.6245e-05% change) + linmin: converged after 5 iterations. + iteration 528: trace = 2.451810018498315 (2.76612e-05% change) + linmin: converged after 5 iterations. + iteration 529: trace = 2.451809857654038 (6.56023e-06% change) + large trace change predicted (1.49526e-05%) linmin: converged after 3 iterations. - iteration 470: trace = 2.412634984460535 (9.81582e-07% change) + iteration 530: trace = 2.451809491112727 (1.49498e-05% change) linmin: converged after 3 iterations. - iteration 471: trace = 2.412634956935237 (1.14088e-06% change) + iteration 531: trace = 2.451809198137294 (1.19494e-05% change) + linmin: converged after 5 iterations. + iteration 532: trace = 2.451809101669754 (3.93455e-06% change) + large trace change predicted (8.65303e-06%) linmin: converged after 10 iterations. - iteration 472: trace = 2.412634944192459 (5.28169e-07% change) - large trace change predicted (1.28668e-06%) + iteration 533: trace = 2.451808889529532 (8.6524e-06% change) + linmin: converged after 7 iterations. + iteration 534: trace = 2.451808752242834 (5.5994e-06% change) + linmin: converged after 4 iterations. + iteration 535: trace = 2.451808698517074 (2.19127e-06% change) + large trace change predicted (5.84686e-06%) linmin: converged after 3 iterations. - iteration 473: trace = 2.412634913153267 (1.28653e-06% change) + iteration 536: trace = 2.45180855517784 (5.84627e-06% change) linmin: converged after 3 iterations. - iteration 474: trace = 2.412634869708619 (1.80071e-06% change) - linmin: converged after 21 iterations. - iteration 475: trace = 2.412634848068069 (8.96967e-07% change) - large trace change predicted (3.46409e-06%) + iteration 537: trace = 2.451808447973822 (4.37245e-06% change) linmin: converged after 3 iterations. - iteration 476: trace = 2.412634764505052 (3.46356e-06% change) + iteration 538: trace = 2.451808374916248 (2.97974e-06% change) + large trace change predicted (6.01946e-06%) linmin: converged after 2 iterations. - iteration 477: trace = 2.41263471036239 (2.24413e-06% change) - linmin: converged after 10 iterations. - iteration 478: trace = 2.412634635393895 (3.10733e-06% change) - linmin: converged after 7 iterations. - iteration 479: trace = 2.412634534860379 (4.16696e-06% change) - linmin: converged after 7 iterations. - iteration 480: trace = 2.412634518482655 (6.78832e-07% change) - large trace change predicted (1.83934e-06%) + iteration 539: trace = 2.451808227326365 (6.01963e-06% change) + linmin: converged after 3 iterations. + iteration 540: trace = 2.451808092718081 (5.49016e-06% change) linmin: converged after 3 iterations. - iteration 481: trace = 2.412634474106985 (1.8393e-06% change) + iteration 541: trace = 2.451808031450271 (2.49888e-06% change) + large trace change predicted (9.45142e-06%) + linmin: converged after 4 iterations. + iteration 542: trace = 2.451807799691648 (9.45256e-06% change) linmin: converged after 3 iterations. - iteration 482: trace = 2.412634420821758 (2.20859e-06% change) + iteration 543: trace = 2.451807559203287 (9.80861e-06% change) linmin: converged after 3 iterations. - iteration 483: trace = 2.412634409981919 (4.49295e-07% change) - large trace change predicted (1.56518e-06%) + iteration 544: trace = 2.451807431928473 (5.19106e-06% change) + large trace change predicted (1.39649e-05%) + linmin: converged after 3 iterations. + iteration 545: trace = 2.451807089474661 (1.39674e-05% change) linmin: converged after 4 iterations. - iteration 484: trace = 2.412634372224826 (1.56497e-06% change) + iteration 546: trace = 2.451806578730725 (2.08313e-05% change) linmin: converged after 4 iterations. - iteration 485: trace = 2.412634355634417 (6.87647e-07% change) + iteration 547: trace = 2.451806449966979 (5.25179e-06% change) + large trace change predicted (1.58107e-05%) linmin: converged after 3 iterations. - iteration 486: trace = 2.41263434750079 (3.37126e-07% change) - linmin: converged after 22 iterations. - iteration 487: trace = 2.412634334340625 (5.45469e-07% change) + iteration 548: trace = 2.451806062172318 (1.58167e-05% change) linmin: converged after 3 iterations. - iteration 488: trace = 2.412634316078156 (7.56951e-07% change) - linmin: converged after 2 iterations. - iteration 489: trace = 2.412634307525388 (3.54499e-07% change) - resetting CG direction... + iteration 549: trace = 2.451805695226623 (1.49663e-05% change) linmin: converged after 3 iterations. - iteration 490: trace = 2.412634299596417 (3.28644e-07% change) + iteration 550: trace = 2.451805589390743 (4.31665e-06% change) + large trace change predicted (1.16153e-05%) linmin: converged after 3 iterations. - iteration 491: trace = 2.412634285055379 (6.02704e-07% change) + iteration 551: trace = 2.451805304500822 (1.16196e-05% change) + linmin: converged after 5 iterations. + iteration 552: trace = 2.451805110327018 (7.91963e-06% change) linmin: converged after 2 iterations. - iteration 492: trace = 2.412634272558073 (5.17994e-07% change) - linmin: converged after 7 iterations. - iteration 493: trace = 2.412634264646269 (3.27932e-07% change) - linmin: converged after 3 iterations. - iteration 494: trace = 2.412634250370039 (5.91728e-07% change) - large trace change predicted (1.31076e-06%) - linmin: converged after 3 iterations. - iteration 495: trace = 2.412634218743278 (1.31088e-06% change) + iteration 553: trace = 2.451805026785725 (3.40734e-06% change) linmin: converged after 3 iterations. - iteration 496: trace = 2.412634203988838 (6.11549e-07% change) - large trace change predicted (1.8689e-06%) + iteration 554: trace = 2.451804882703505 (5.87658e-06% change) linmin: converged after 2 iterations. - iteration 497: trace = 2.412634158897655 (1.86896e-06% change) + iteration 555: trace = 2.451804842435253 (1.64239e-06% change) + large trace change predicted (3.73387e-06%) + linmin: converged after 2 iterations. + iteration 556: trace = 2.451804750882375 (3.7341e-06% change) linmin: converged after 3 iterations. - iteration 498: trace = 2.412634138054461 (8.63919e-07% change) + iteration 557: trace = 2.451804589636878 (6.5766e-06% change) linmin: converged after 3 iterations. - iteration 499: trace = 2.412634110026821 (1.1617e-06% change) - large trace change predicted (3.199e-06%) - linmin: converged after 25 iterations. - iteration 500: trace = 2.412634032844641 (3.19908e-06% change) + iteration 558: trace = 2.451804271402174 (1.29796e-05% change) linmin: converged after 7 iterations. - iteration 501: trace = 2.412634006520998 (1.09107e-06% change) - large trace change predicted (2.95013e-06%) - linmin: converged after 3 iterations. - iteration 502: trace = 2.412633935348479 (2.94999e-06% change) - linmin: converged after 4 iterations. - iteration 503: trace = 2.412633879619551 (2.30988e-06% change) - linmin: converged after 3 iterations. - iteration 504: trace = 2.412633860587332 (7.88856e-07% change) - linmin: converged after 5 iterations. - iteration 505: trace = 2.412633825955091 (1.43545e-06% change) - linmin: converged after 4 iterations. - iteration 506: trace = 2.41263379510816 (1.27856e-06% change) - linmin: converged after 3 iterations. - iteration 507: trace = 2.412633788364843 (2.795e-07% change) - large trace change predicted (1.04193e-06%) - linmin: converged after 3 iterations. - iteration 508: trace = 2.412633763225779 (1.04198e-06% change) - linmin: converged after 11 iterations. - iteration 509: trace = 2.412633748457454 (6.12125e-07% change) + iteration 559: trace = 2.451803727358731 (2.21895e-05% change) + resetting CG direction... linmin: converged after 7 iterations. - iteration 510: trace = 2.412633739660458 (3.64622e-07% change) - linmin: converged after 8 iterations. - iteration 511: trace = 2.412633727964045 (4.84799e-07% change) - linmin: converged after 4 iterations. - iteration 512: trace = 2.412633706215134 (9.01459e-07% change) - linmin: converged after 36 iterations. - iteration 513: trace = 2.412633701674881 (1.88187e-07% change) - large trace change predicted (7.90887e-07%) + iteration 560: trace = 2.451803242780217 (1.97642e-05% change) + linmin: converged after 2 iterations. + iteration 561: trace = 2.451802991415449 (1.02522e-05% change) linmin: converged after 3 iterations. - iteration 514: trace = 2.4126336825949 (7.90836e-07% change) - linmin: converged after 26 iterations. - iteration 515: trace = 2.412633671110867 (4.75996e-07% change) + iteration 562: trace = 2.45180285629204 (5.51119e-06% change) linmin: converged after 3 iterations. - iteration 516: trace = 2.412633664300462 (2.82281e-07% change) - large trace change predicted (8.04113e-07%) + iteration 563: trace = 2.45180280098453 (2.25579e-06% change) linmin: converged after 3 iterations. - iteration 517: trace = 2.412633644902835 (8.04002e-07% change) + iteration 564: trace = 2.451802704941368 (3.91725e-06% change) linmin: converged after 3 iterations. - iteration 518: trace = 2.41263361871153 (1.08559e-06% change) - linmin: converged after 18 iterations. - iteration 519: trace = 2.412633612469993 (2.58702e-07% change) - large trace change predicted (1.85648e-06%) - linmin: converged after 16 iterations. - iteration 520: trace = 2.412633567691794 (1.85599e-06% change) - linmin: converged after 18 iterations. - iteration 521: trace = 2.412633547023186 (8.56682e-07% change) - linmin: converged after 30 iterations. - iteration 522: trace = 2.41263352762141 (8.04174e-07% change) - large trace change predicted (3.66672e-06%) + iteration 565: trace = 2.451802618892927 (3.5096e-06% change) linmin: converged after 4 iterations. - iteration 523: trace = 2.41263343922431 (3.66393e-06% change) - linmin: converged after 18 iterations. - iteration 524: trace = 2.412633425038576 (5.87977e-07% change) - large trace change predicted (3.21106e-06%) - linmin: converged after 3 iterations. - iteration 525: trace = 2.412633347607506 (3.2094e-06% change) - linmin: converged after 3 iterations. - iteration 526: trace = 2.412633293989531 (2.22238e-06% change) - linmin: converged after 17 iterations. - iteration 527: trace = 2.412633282814469 (4.63189e-07% change) - large trace change predicted (1.38646e-06%) - linmin: converged after 3 iterations. - iteration 528: trace = 2.412633249369911 (1.38623e-06% change) - linmin: converged after 3 iterations. - iteration 529: trace = 2.412633226182503 (9.61083e-07% change) + iteration 566: trace = 2.451802568978946 (2.03581e-06% change) + large trace change predicted (6.88791e-06%) linmin: converged after 3 iterations. - iteration 530: trace = 2.412633217772954 (3.48563e-07% change) - large trace change predicted (9.1847e-07%) - linmin: converged after 3 iterations. - iteration 531: trace = 2.412633195615594 (9.18389e-07% change) - linmin: converged after 5 iterations. - iteration 532: trace = 2.412633181151997 (5.99494e-07% change) - linmin: converged after 3 iterations. - iteration 533: trace = 2.412633163842421 (7.17456e-07% change) + iteration 567: trace = 2.451802400123629 (6.88699e-06% change) linmin: converged after 4 iterations. - iteration 534: trace = 2.412633149836604 (5.8052e-07% change) - linmin: converged after 4 iterations. - iteration 535: trace = 2.412633137535378 (5.09867e-07% change) - linmin: converged after 3 iterations. - iteration 536: trace = 2.412633126023987 (4.7713e-07% change) - large trace change predicted (1.09721e-06%) - linmin: converged after 24 iterations. - iteration 537: trace = 2.412633099552856 (1.09719e-06% change) + iteration 568: trace = 2.451802350076168 (2.04125e-06% change) + large trace change predicted (7.36079e-06%) linmin: converged after 3 iterations. - iteration 538: trace = 2.412633094260564 (2.19357e-07% change) - large trace change predicted (8.15543e-07%) - linmin: converged after 25 iterations. - iteration 539: trace = 2.412633074585623 (8.15497e-07% change) - linmin: converged after 17 iterations. - iteration 540: trace = 2.412633055894965 (7.747e-07% change) - linmin: converged after 14 iterations. - iteration 541: trace = 2.412633047168399 (3.61703e-07% change) - large trace change predicted (1.03022e-06%) - linmin: converged after 6 iterations. - iteration 542: trace = 2.412633022313367 (1.0302e-06% change) - linmin: converged after 2 iterations. - iteration 543: trace = 2.412632985204466 (1.53811e-06% change) + iteration 569: trace = 2.451802169637668 (7.35942e-06% change) linmin: converged after 5 iterations. - iteration 544: trace = 2.412632972386088 (5.31302e-07% change) - large trace change predicted (3.16438e-06%) - linmin: converged after 4 iterations. - iteration 545: trace = 2.412632896032461 (3.16474e-06% change) + iteration 570: trace = 2.451801914664643 (1.03994e-05% change) linmin: converged after 5 iterations. - iteration 546: trace = 2.412632864620243 (1.30199e-06% change) + iteration 571: trace = 2.45180174523674 (6.91034e-06% change) linmin: converged after 3 iterations. - iteration 547: trace = 2.412632827819871 (1.52532e-06% change) - large trace change predicted (5.18407e-06%) - linmin: converged after 3 iterations. - iteration 548: trace = 2.412632702723378 (5.18506e-06% change) + iteration 572: trace = 2.451801511250255 (9.54345e-06% change) + linmin: converged after 5 iterations. + iteration 573: trace = 2.451801167787515 (1.40086e-05% change) linmin: converged after 2 iterations. - iteration 549: trace = 2.412632661512463 (1.70813e-06% change) + iteration 574: trace = 2.451801100902861 (2.72798e-06% change) + large trace change predicted (7.7038e-06%) linmin: converged after 3 iterations. - iteration 550: trace = 2.412632606275865 (2.28947e-06% change) - linmin: converged after 2 iterations. - iteration 551: trace = 2.412632569454538 (1.52619e-06% change) + iteration 575: trace = 2.451800912039416 (7.70305e-06% change) linmin: converged after 3 iterations. - iteration 552: trace = 2.412632559393794 (4.17003e-07% change) - large trace change predicted (9.9684e-07%) + iteration 576: trace = 2.451800749895472 (6.61326e-06% change) + linmin: converged after 26 iterations. + iteration 577: trace = 2.451800702704775 (1.92474e-06% change) + large trace change predicted (5.98705e-06%) linmin: converged after 3 iterations. - iteration 553: trace = 2.41263253534433 (9.96814e-07% change) + iteration 578: trace = 2.451800555925374 (5.9866e-06% change) linmin: converged after 8 iterations. - iteration 554: trace = 2.412632516134743 (7.96209e-07% change) - linmin: converged after 5 iterations. - iteration 555: trace = 2.412632508945961 (2.97964e-07% change) - linmin: converged after 17 iterations. - iteration 556: trace = 2.412632496437547 (5.18455e-07% change) - linmin: converged after 13 iterations. - iteration 557: trace = 2.412632479828672 (6.88413e-07% change) - linmin: converged after 5 iterations. - iteration 558: trace = 2.412632470882901 (3.70789e-07% change) - large trace change predicted (8.7377e-07%) + iteration 579: trace = 2.45180046117703 (3.86444e-06% change) linmin: converged after 3 iterations. - iteration 559: trace = 2.412632449802999 (8.7373e-07% change) - resetting CG direction... - linmin: converged after 12 iterations. - iteration 560: trace = 2.412632430509535 (7.99685e-07% change) - linmin: converged after 4 iterations. - iteration 561: trace = 2.412632425070163 (2.25454e-07% change) - large trace change predicted (7.81561e-07%) - linmin: converged after 5 iterations. - iteration 562: trace = 2.412632406214601 (7.81535e-07% change) - linmin: converged after 4 iterations. - iteration 563: trace = 2.412632395050036 (4.62755e-07% change) - linmin: converged after 6 iterations. - iteration 564: trace = 2.412632387292498 (3.21538e-07% change) - large trace change predicted (7.00258e-07%) - linmin: converged after 6 iterations. - iteration 565: trace = 2.412632370398085 (7.00248e-07% change) - linmin: converged after 23 iterations. - iteration 566: trace = 2.412632355180013 (6.30766e-07% change) - linmin: converged after 6 iterations. - iteration 567: trace = 2.41263234258419 (5.22078e-07% change) - large trace change predicted (1.44304e-06%) + iteration 580: trace = 2.451800400784435 (2.46319e-06% change) linmin: converged after 3 iterations. - iteration 568: trace = 2.412632307769536 (1.44302e-06% change) - linmin: converged after 28 iterations. - iteration 569: trace = 2.412632297714972 (4.16747e-07% change) - large trace change predicted (2.7581e-06%) - linmin: converged after 6 iterations. - iteration 570: trace = 2.412632231175007 (2.75798e-06% change) - linmin: converged after 11 iterations. - iteration 571: trace = 2.412632161979124 (2.86807e-06% change) - linmin: converged after 4 iterations. - iteration 572: trace = 2.412632133637415 (1.17472e-06% change) - linmin: converged after 3 iterations. - iteration 573: trace = 2.412632096635164 (1.53369e-06% change) - linmin: converged after 27 iterations. - iteration 574: trace = 2.412632043412803 (2.20599e-06% change) + iteration 581: trace = 2.451800340119946 (2.47428e-06% change) linmin: converged after 2 iterations. - iteration 575: trace = 2.412632027974648 (6.39888e-07% change) - linmin: converged after 4 iterations. - iteration 576: trace = 2.412631999289264 (1.18897e-06% change) + iteration 582: trace = 2.451800258704103 (3.32066e-06% change) linmin: converged after 2 iterations. - iteration 577: trace = 2.41263199293719 (2.63284e-07% change) - large trace change predicted (6.56123e-07%) - linmin: converged after 14 iterations. - iteration 578: trace = 2.412631977106666 (6.56152e-07% change) - linmin: converged after 3 iterations. - iteration 579: trace = 2.412631964825822 (5.09023e-07% change) - linmin: converged after 12 iterations. - iteration 580: trace = 2.412631950558348 (5.91366e-07% change) - linmin: converged after 3 iterations. - iteration 581: trace = 2.412631948001017 (1.05998e-07% change) - large trace change predicted (6.36046e-07%) - linmin: converged after 13 iterations. - iteration 582: trace = 2.412631932654924 (6.36073e-07% change) - linmin: converged after 3 iterations. - iteration 583: trace = 2.412631929921282 (1.13305e-07% change) - large trace change predicted (2.48552e-07%) - linmin: converged after 5 iterations. - iteration 584: trace = 2.412631923924131 (2.48573e-07% change) - large trace change predicted (6.35569e-07%) - linmin: converged after 4 iterations. - iteration 585: trace = 2.412631908588614 (6.35634e-07% change) - linmin: converged after 23 iterations. - iteration 586: trace = 2.412631906019616 (1.06481e-07% change) - large trace change predicted (7.43488e-07%) - linmin: converged after 4 iterations. - iteration 587: trace = 2.412631888077842 (7.4366e-07% change) - linmin: converged after 30 iterations. - iteration 588: trace = 2.412631878688956 (3.89155e-07% change) - linmin: converged after 3 iterations. - iteration 589: trace = 2.412631872146539 (2.71173e-07% change) - large trace change predicted (5.9415e-07%) - linmin: converged after 3 iterations. - iteration 590: trace = 2.412631857810525 (5.94206e-07% change) - linmin: converged after 4 iterations. - iteration 591: trace = 2.412631832086421 (1.06623e-06% change) - linmin: converged after 3 iterations. - iteration 592: trace = 2.412631818296104 (5.71588e-07% change) - linmin: converged after 6 iterations. - iteration 593: trace = 2.412631797655271 (8.55532e-07% change) - large trace change predicted (1.7394e-06%) - linmin: converged after 3 iterations. - iteration 594: trace = 2.412631755675351 (1.74001e-06% change) - linmin: converged after 3 iterations. - iteration 595: trace = 2.41263174662151 (3.75268e-07% change) - large trace change predicted (1.16874e-06%) - linmin: converged after 3 iterations. - iteration 596: trace = 2.412631718420116 (1.16891e-06% change) - linmin: converged after 4 iterations. - iteration 597: trace = 2.412631683794476 (1.43518e-06% change) + iteration 583: trace = 2.451800238210273 (8.35869e-07% change) + large trace change predicted (3.48695e-06%) linmin: converged after 2 iterations. - iteration 598: trace = 2.412631678633707 (2.13906e-07% change) - large trace change predicted (1.15281e-06%) + iteration 584: trace = 2.451800152716494 (3.48698e-06% change) linmin: converged after 4 iterations. - iteration 599: trace = 2.412631650812322 (1.15316e-06% change) - linmin: converged after 5 iterations. - iteration 600: trace = 2.412631647766944 (1.26226e-07% change) - large trace change predicted (5.54604e-07%) + iteration 585: trace = 2.451800082764725 (2.85308e-06% change) + linmin: converged after 19 iterations. + iteration 586: trace = 2.451800056279944 (1.08022e-06% change) + large trace change predicted (5.14979e-06%) linmin: converged after 4 iterations. - iteration 601: trace = 2.412631634385495 (5.54641e-07% change) + iteration 587: trace = 2.451799930004449 (5.15032e-06% change) linmin: converged after 4 iterations. - iteration 602: trace = 2.412631626641236 (3.20988e-07% change) - linmin: converged after 9 iterations. - iteration 603: trace = 2.412631622527124 (1.70524e-07% change) + iteration 588: trace = 2.451799803457778 (5.16138e-06% change) linmin: converged after 5 iterations. - iteration 604: trace = 2.412631616376268 (2.54944e-07% change) - linmin: converged after 5 iterations. - iteration 605: trace = 2.412631607292374 (3.76514e-07% change) + iteration 589: trace = 2.451799736646139 (2.725e-06% change) + large trace change predicted (6.8266e-06%) linmin: converged after 3 iterations. - iteration 606: trace = 2.412631605311292 (8.21129e-08% change) - large trace change predicted (4.63878e-07%) - linmin: converged after 4 iterations. - iteration 607: trace = 2.412631594119526 (4.63882e-07% change) - linmin: converged after 21 iterations. - iteration 608: trace = 2.412631589506675 (1.91196e-07% change) + iteration 590: trace = 2.451799569245783 (6.82765e-06% change) linmin: converged after 3 iterations. - iteration 609: trace = 2.412631584035406 (2.26776e-07% change) - linmin: converged after 20 iterations. - iteration 610: trace = 2.412631576344531 (3.18775e-07% change) - linmin: converged after 4 iterations. - iteration 611: trace = 2.412631564470813 (4.92148e-07% change) - linmin: converged after 7 iterations. - iteration 612: trace = 2.412631561105966 (1.39468e-07% change) - large trace change predicted (5.91241e-07%) - linmin: converged after 4 iterations. - iteration 613: trace = 2.412631546842259 (5.9121e-07% change) - linmin: converged after 23 iterations. - iteration 614: trace = 2.412631537900961 (3.70604e-07% change) - linmin: converged after 11 iterations. - iteration 615: trace = 2.412631524948237 (5.36871e-07% change) - linmin: converged after 3 iterations. - iteration 616: trace = 2.412631500920552 (9.95912e-07% change) - linmin: converged after 4 iterations. - iteration 617: trace = 2.412631487772047 (5.44986e-07% change) - large trace change predicted (1.27559e-06%) - linmin: converged after 3 iterations. - iteration 618: trace = 2.412631456995054 (1.27566e-06% change) + iteration 591: trace = 2.451799257894774 (1.26989e-05% change) linmin: converged after 3 iterations. - iteration 619: trace = 2.412631426358054 (1.26986e-06% change) - linmin: converged after 7 iterations. - iteration 620: trace = 2.412631419613459 (2.79553e-07% change) - linmin: converged after 2 iterations. - iteration 621: trace = 2.412631408731586 (4.51038e-07% change) + iteration 592: trace = 2.45179919056242 (2.74624e-06% change) + large trace change predicted (8.1864e-06%) linmin: converged after 4 iterations. - iteration 622: trace = 2.412631388669741 (8.31534e-07% change) + iteration 593: trace = 2.451798989769169 (8.18963e-06% change) linmin: converged after 4 iterations. - iteration 623: trace = 2.412631386320154 (9.73869e-08% change) - large trace change predicted (6.43728e-07%) - linmin: converged after 3 iterations. - iteration 624: trace = 2.41263137078966 (6.43716e-07% change) - linmin: converged after 20 iterations. - iteration 625: trace = 2.412631367461358 (1.37953e-07% change) + iteration 594: trace = 2.451798864954331 (5.09075e-06% change) linmin: converged after 2 iterations. - iteration 626: trace = 2.412631364341196 (1.29326e-07% change) - large trace change predicted (2.90043e-07%) + iteration 595: trace = 2.451798806477915 (2.38504e-06% change) linmin: converged after 3 iterations. - iteration 627: trace = 2.412631357343453 (2.90046e-07% change) - linmin: converged after 12 iterations. - iteration 628: trace = 2.4126313523449 (2.07183e-07% change) + iteration 596: trace = 2.451798723572645 (3.38141e-06% change) linmin: converged after 3 iterations. - iteration 629: trace = 2.412631348268566 (1.68958e-07% change) - resetting CG direction... + iteration 597: trace = 2.45179859720017 (5.15428e-06% change) linmin: converged after 3 iterations. - iteration 630: trace = 2.412631344431736 (1.59031e-07% change) + iteration 598: trace = 2.45179856697247 (1.23288e-06% change) + large trace change predicted (4.19484e-06%) linmin: converged after 3 iterations. - iteration 631: trace = 2.41263134002685 (1.82576e-07% change) + iteration 599: trace = 2.451798464107602 (4.19549e-06% change) + linmin: converged after 4 iterations. + iteration 600: trace = 2.451798410002802 (2.20674e-06% change) + linmin: converged after 15 iterations. + iteration 601: trace = 2.451798385418517 (1.0027e-06% change) + large trace change predicted (2.75217e-06%) linmin: converged after 3 iterations. - iteration 632: trace = 2.412631335271176 (1.97116e-07% change) - linmin: converged after 21 iterations. - iteration 633: trace = 2.412631331331592 (1.6329e-07% change) + iteration 602: trace = 2.45179831794225 (2.75211e-06% change) + linmin: converged after 15 iterations. + iteration 603: trace = 2.451798290357287 (1.12509e-06% change) linmin: converged after 3 iterations. - iteration 634: trace = 2.412631327488496 (1.59291e-07% change) - large trace change predicted (6.02673e-07%) - linmin: converged after 2 iterations. - iteration 635: trace = 2.412631312948187 (6.02674e-07% change) + iteration 604: trace = 2.45179826733415 (9.39031e-07% change) + large trace change predicted (2.47149e-06%) + linmin: converged after 16 iterations. + iteration 605: trace = 2.45179820673955 (2.47143e-06% change) linmin: converged after 3 iterations. - iteration 636: trace = 2.412631310895454 (8.50828e-08% change) - large trace change predicted (6.68107e-07%) - linmin: converged after 37 iterations. - iteration 637: trace = 2.412631294775867 (6.68133e-07% change) - linmin: converged after 21 iterations. - iteration 638: trace = 2.412631282575826 (5.05674e-07% change) + iteration 606: trace = 2.451798146095252 (2.47346e-06% change) linmin: converged after 3 iterations. - iteration 639: trace = 2.412631277626279 (2.05151e-07% change) - large trace change predicted (9.74559e-07%) + iteration 607: trace = 2.451798112143311 (1.38478e-06% change) + large trace change predicted (4.35965e-06%) + linmin: converged after 6 iterations. + iteration 608: trace = 2.451798005256136 (4.35954e-06% change) linmin: converged after 2 iterations. - iteration 640: trace = 2.41263125411361 (9.74565e-07% change) - linmin: converged after 3 iterations. - iteration 641: trace = 2.412631232998343 (8.75197e-07% change) + iteration 609: trace = 2.451797900211474 (4.28439e-06% change) + linmin: converged after 4 iterations. + iteration 610: trace = 2.451797853947711 (1.88693e-06% change) + large trace change predicted (7.69052e-06%) linmin: converged after 4 iterations. - iteration 642: trace = 2.412631220139265 (5.3299e-07% change) + iteration 611: trace = 2.451797665401263 (7.69013e-06% change) + linmin: converged after 6 iterations. + iteration 612: trace = 2.451797512627734 (6.23108e-06% change) + linmin: converged after 7 iterations. + iteration 613: trace = 2.451797469913712 (1.74215e-06% change) + large trace change predicted (4.4729e-06%) + linmin: converged after 8 iterations. + iteration 614: trace = 2.451797360249916 (4.47279e-06% change) linmin: converged after 3 iterations. - iteration 643: trace = 2.412631199911996 (8.3839e-07% change) - linmin: converged after 18 iterations. - iteration 644: trace = 2.412631191636586 (3.43004e-07% change) + iteration 615: trace = 2.451797263493734 (3.94634e-06% change) linmin: converged after 3 iterations. - iteration 645: trace = 2.412631183279183 (3.46402e-07% change) - linmin: converged after 4 iterations. - iteration 646: trace = 2.412631171487007 (4.88768e-07% change) - linmin: converged after 27 iterations. - iteration 647: trace = 2.412631168954319 (1.04976e-07% change) - large trace change predicted (3.63316e-07%) + iteration 616: trace = 2.451797232543046 (1.26237e-06% change) + large trace change predicted (3.02328e-06%) linmin: converged after 4 iterations. - iteration 648: trace = 2.412631160188647 (3.63324e-07% change) + iteration 617: trace = 2.451797158422596 (3.02311e-06% change) linmin: converged after 4 iterations. - iteration 649: trace = 2.412631155897688 (1.77854e-07% change) + iteration 618: trace = 2.451797109921158 (1.9782e-06% change) linmin: converged after 3 iterations. - iteration 650: trace = 2.41263115193879 (1.6409e-07% change) + iteration 619: trace = 2.451797093097691 (6.86169e-07% change) + large trace change predicted (2.22797e-06%) linmin: converged after 3 iterations. - iteration 651: trace = 2.412631147490684 (1.84367e-07% change) + iteration 620: trace = 2.451797038475426 (2.22785e-06% change) linmin: converged after 3 iterations. - iteration 652: trace = 2.412631140568475 (2.86915e-07% change) + iteration 621: trace = 2.451797015208018 (9.48994e-07% change) linmin: converged after 3 iterations. - iteration 653: trace = 2.412631138151422 (1.00183e-07% change) - large trace change predicted (2.68793e-07%) - linmin: converged after 14 iterations. - iteration 654: trace = 2.412631131666535 (2.68789e-07% change) + iteration 622: trace = 2.451796985012159 (1.23158e-06% change) linmin: converged after 3 iterations. - iteration 655: trace = 2.412631126515688 (2.13495e-07% change) - linmin: converged after 4 iterations. - iteration 656: trace = 2.412631124514832 (8.29326e-08% change) - large trace change predicted (2.48912e-07%) - linmin: converged after 15 iterations. - iteration 657: trace = 2.412631118509633 (2.48907e-07% change) + iteration 623: trace = 2.451796947385136 (1.53467e-06% change) linmin: converged after 6 iterations. - iteration 658: trace = 2.412631107672285 (4.49192e-07% change) - linmin: converged after 29 iterations. - iteration 659: trace = 2.412631105516212 (8.93661e-08% change) - large trace change predicted (6.99896e-07%) - linmin: converged after 3 iterations. - iteration 660: trace = 2.412631088633407 (6.99767e-07% change) - linmin: converged after 9 iterations. - iteration 661: trace = 2.412631079209359 (3.90613e-07% change) - linmin: converged after 2 iterations. - iteration 662: trace = 2.412631073188543 (2.49554e-07% change) - large trace change predicted (1.23242e-06%) - linmin: converged after 3 iterations. - iteration 663: trace = 2.412631043467748 (1.23188e-06% change) - linmin: converged after 3 iterations. - iteration 664: trace = 2.412631033031287 (4.32576e-07% change) - large trace change predicted (8.95433e-07%) - linmin: converged after 3 iterations. - iteration 665: trace = 2.41263101143478 (8.95143e-07% change) - linmin: converged after 3 iterations. - iteration 666: trace = 2.412630991360767 (8.32038e-07% change) - linmin: converged after 34 iterations. - iteration 667: trace = 2.412630986898685 (1.84947e-07% change) - large trace change predicted (4.22379e-07%) - linmin: converged after 20 iterations. - iteration 668: trace = 2.412630976708886 (4.22352e-07% change) + iteration 624: trace = 2.451796916974344 (1.24035e-06% change) + linmin: converged after 5 iterations. + iteration 625: trace = 2.451796903456303 (5.51352e-07% change) + large trace change predicted (2.67224e-06%) linmin: converged after 3 iterations. - iteration 669: trace = 2.412630967660475 (3.75043e-07% change) + iteration 626: trace = 2.451796837935873 (2.67234e-06% change) linmin: converged after 4 iterations. - iteration 670: trace = 2.412630964884708 (1.15051e-07% change) - large trace change predicted (3.97667e-07%) - linmin: converged after 8 iterations. - iteration 671: trace = 2.412630955291559 (3.97622e-07% change) - linmin: converged after 17 iterations. - iteration 672: trace = 2.412630947961292 (3.03829e-07% change) - linmin: converged after 21 iterations. - iteration 673: trace = 2.412630943686239 (1.77195e-07% change) - linmin: converged after 26 iterations. - iteration 674: trace = 2.412630938138281 (2.29955e-07% change) - linmin: converged after 7 iterations. - iteration 675: trace = 2.41263093180878 (2.62349e-07% change) + iteration 627: trace = 2.451796773688784 (2.62041e-06% change) linmin: converged after 3 iterations. - iteration 676: trace = 2.412630930657883 (4.7703e-08% change) - large trace change predicted (3.67868e-07%) + iteration 628: trace = 2.451796747939404 (1.05022e-06% change) + large trace change predicted (4.00788e-06%) + linmin: converged after 2 iterations. + iteration 629: trace = 2.45179664967075 (4.00803e-06% change) + resetting CG direction... + linmin: converged after 8 iterations. + iteration 630: trace = 2.451796576594814 (2.98051e-06% change) linmin: converged after 3 iterations. - iteration 677: trace = 2.412630921782811 (3.67859e-07% change) - linmin: converged after 7 iterations. - iteration 678: trace = 2.412630917325379 (1.84754e-07% change) + iteration 631: trace = 2.451796542691735 (1.38279e-06% change) + linmin: converged after 2 iterations. + iteration 632: trace = 2.451796482007206 (2.4751e-06% change) linmin: converged after 6 iterations. - iteration 679: trace = 2.412630912868707 (1.84722e-07% change) + iteration 633: trace = 2.451796426784747 (2.25233e-06% change) linmin: converged after 3 iterations. - iteration 680: trace = 2.412630904878743 (3.31172e-07% change) - linmin: converged after 10 iterations. - iteration 681: trace = 2.412630901173149 (1.53591e-07% change) - linmin: converged after 20 iterations. - iteration 682: trace = 2.412630895258257 (2.45164e-07% change) - large trace change predicted (6.06104e-07%) + iteration 634: trace = 2.451796405810323 (8.55472e-07% change) linmin: converged after 2 iterations. - iteration 683: trace = 2.412630880635001 (6.06112e-07% change) - linmin: converged after 3 iterations. - iteration 684: trace = 2.412630877671996 (1.22812e-07% change) - large trace change predicted (1.2113e-06%) - linmin: converged after 3 iterations. - iteration 685: trace = 2.41263084844553 (1.21139e-06% change) - linmin: converged after 21 iterations. - iteration 686: trace = 2.412630833135096 (6.34595e-07% change) + iteration 635: trace = 2.451796375764512 (1.22546e-06% change) linmin: converged after 2 iterations. - iteration 687: trace = 2.41263082320165 (4.11727e-07% change) - large trace change predicted (1.5899e-06%) + iteration 636: trace = 2.45179634528217 (1.24327e-06% change) linmin: converged after 3 iterations. - iteration 688: trace = 2.41263078483906 (1.59007e-06% change) + iteration 637: trace = 2.451796332784638 (5.0973e-07% change) + large trace change predicted (1.64039e-06%) + linmin: converged after 24 iterations. + iteration 638: trace = 2.451796292564086 (1.64045e-06% change) + linmin: converged after 4 iterations. + iteration 639: trace = 2.451796274585006 (7.33302e-07% change) linmin: converged after 2 iterations. - iteration 689: trace = 2.412630774384965 (4.33307e-07% change) - linmin: converged after 23 iterations. - iteration 690: trace = 2.412630753695187 (8.57561e-07% change) + iteration 640: trace = 2.451796247366981 (1.11013e-06% change) linmin: converged after 3 iterations. - iteration 691: trace = 2.412630743157435 (4.36774e-07% change) - linmin: converged after 2 iterations. - iteration 692: trace = 2.412630735803318 (3.04817e-07% change) + iteration 641: trace = 2.451796203602374 (1.785e-06% change) linmin: converged after 2 iterations. - iteration 693: trace = 2.41263073181322 (1.65384e-07% change) - large trace change predicted (3.75496e-07%) - linmin: converged after 12 iterations. - iteration 694: trace = 2.412630722753758 (3.75501e-07% change) - linmin: converged after 2 iterations. - iteration 695: trace = 2.412630720241677 (1.04122e-07% change) - linmin: converged after 9 iterations. - iteration 696: trace = 2.412630715328446 (2.03646e-07% change) + iteration 642: trace = 2.451796155649618 (1.95582e-06% change) linmin: converged after 3 iterations. - iteration 697: trace = 2.412630708769601 (2.71855e-07% change) - linmin: converged after 2 iterations. - iteration 698: trace = 2.412630706261897 (1.03941e-07% change) - linmin: converged after 30 iterations. - iteration 699: trace = 2.412630702052699 (1.74465e-07% change) - resetting CG direction... + iteration 643: trace = 2.451796115163068 (1.6513e-06% change) + large trace change predicted (3.36216e-06%) linmin: converged after 3 iterations. - iteration 700: trace = 2.412630697984868 (1.68606e-07% change) + iteration 644: trace = 2.451796032722863 (3.36244e-06% change) linmin: converged after 2 iterations. - iteration 701: trace = 2.412630695621315 (9.79658e-08% change) - large trace change predicted (2.55182e-07%) - linmin: converged after 19 iterations. - iteration 702: trace = 2.412630689464828 (2.55177e-07% change) + iteration 645: trace = 2.451796004083961 (1.16808e-06% change) + large trace change predicted (3.42316e-06%) linmin: converged after 2 iterations. - iteration 703: trace = 2.412630686994338 (1.02398e-07% change) + iteration 646: trace = 2.451795920149946 (3.42337e-06% change) linmin: converged after 4 iterations. - iteration 704: trace = 2.412630682256786 (1.96365e-07% change) - linmin: converged after 3 iterations. - iteration 705: trace = 2.412630674275217 (3.30824e-07% change) - linmin: converged after 7 iterations. - iteration 706: trace = 2.412630671872351 (9.95953e-08% change) - large trace change predicted (3.26983e-07%) - linmin: converged after 12 iterations. - iteration 707: trace = 2.412630663983398 (3.26986e-07% change) - linmin: converged after 4 iterations. - iteration 708: trace = 2.4126306549498 (3.74429e-07% change) - linmin: converged after 4 iterations. - iteration 709: trace = 2.412630651129749 (1.58336e-07% change) - large trace change predicted (9.28137e-07%) - linmin: converged after 4 iterations. - iteration 710: trace = 2.412630628738105 (9.28101e-07% change) - linmin: converged after 3 iterations. - iteration 711: trace = 2.412630612230513 (6.84215e-07% change) + iteration 647: trace = 2.451795815479881 (4.26912e-06% change) + linmin: converged after 2 iterations. + iteration 648: trace = 2.45179576958587 (1.87185e-06% change) + large trace change predicted (4.13907e-06%) linmin: converged after 3 iterations. - iteration 712: trace = 2.412630593166302 (7.90184e-07% change) + iteration 649: trace = 2.451795668093093 (4.13953e-06% change) linmin: converged after 3 iterations. - iteration 713: trace = 2.412630580745255 (5.14834e-07% change) + iteration 650: trace = 2.451795576866024 (3.72083e-06% change) linmin: converged after 2 iterations. - iteration 714: trace = 2.412630567807815 (5.36238e-07% change) - linmin: converged after 4 iterations. - iteration 715: trace = 2.412630557173796 (4.40764e-07% change) - linmin: converged after 23 iterations. - iteration 716: trace = 2.412630547752579 (3.90496e-07% change) - linmin: converged after 3 iterations. - iteration 717: trace = 2.412630544966766 (1.15468e-07% change) - linmin: converged after 4 iterations. - iteration 718: trace = 2.412630540674763 (1.77897e-07% change) + iteration 651: trace = 2.451795491837148 (3.46802e-06% change) + linmin: converged after 2 iterations. + iteration 652: trace = 2.451795474050819 (7.25441e-07% change) + large trace change predicted (2.30764e-06%) + linmin: converged after 2 iterations. + iteration 653: trace = 2.45179541746985 (2.30774e-06% change) linmin: converged after 3 iterations. - iteration 719: trace = 2.412630535659631 (2.0787e-07% change) + iteration 654: trace = 2.451795403217674 (5.81295e-07% change) linmin: converged after 4 iterations. - iteration 720: trace = 2.412630533018452 (1.09473e-07% change) - linmin: converged after 24 iterations. - iteration 721: trace = 2.412630529554123 (1.43591e-07% change) - linmin: converged after 3 iterations. - iteration 722: trace = 2.412630524119566 (2.25254e-07% change) - linmin: converged after 39 iterations. - iteration 723: trace = 2.412630523252263 (3.59484e-08% change) - large trace change predicted (1.26153e-07%) - linmin: converged after 13 iterations. - iteration 724: trace = 2.412630520208611 (1.26155e-07% change) + iteration 655: trace = 2.451795379750922 (9.57125e-07% change) + linmin: converged after 2 iterations. + iteration 656: trace = 2.451795342177205 (1.5325e-06% change) linmin: converged after 22 iterations. - iteration 725: trace = 2.412630515590306 (1.91422e-07% change) + iteration 657: trace = 2.451795313786692 (1.15795e-06% change) linmin: converged after 4 iterations. - iteration 726: trace = 2.41263051451737 (4.44716e-08% change) - large trace change predicted (2.54155e-07%) - linmin: converged after 18 iterations. - iteration 727: trace = 2.412630508384789 (2.54187e-07% change) - linmin: converged after 4 iterations. - iteration 728: trace = 2.41263050367689 (1.95135e-07% change) - linmin: converged after 3 iterations. - iteration 729: trace = 2.412630501519367 (8.94262e-08% change) - large trace change predicted (1.91344e-07%) - linmin: converged after 3 iterations. - iteration 730: trace = 2.412630496902832 (1.91349e-07% change) + iteration 658: trace = 2.451795285117773 (1.1693e-06% change) + linmin: converged after 6 iterations. + iteration 659: trace = 2.451795244338007 (1.66326e-06% change) linmin: converged after 3 iterations. - iteration 731: trace = 2.412630488937158 (3.30166e-07% change) - linmin: converged after 2 iterations. - iteration 732: trace = 2.41263048677312 (8.96962e-08% change) - large trace change predicted (4.38042e-07%) - linmin: converged after 28 iterations. - iteration 733: trace = 2.412630476203662 (4.38089e-07% change) - linmin: converged after 4 iterations. - iteration 734: trace = 2.412630464126485 (5.00581e-07% change) - linmin: converged after 19 iterations. - iteration 735: trace = 2.412630457786577 (2.6278e-07% change) + iteration 660: trace = 2.451795218855671 (1.03933e-06% change) linmin: converged after 6 iterations. - iteration 736: trace = 2.412630448537708 (3.83352e-07% change) - linmin: converged after 4 iterations. - iteration 737: trace = 2.41263043528228 (5.49418e-07% change) + iteration 661: trace = 2.451795170817317 (1.95931e-06% change) linmin: converged after 3 iterations. - iteration 738: trace = 2.412630432378604 (1.20353e-07% change) - large trace change predicted (4.25244e-07%) + iteration 662: trace = 2.451795100333281 (2.87479e-06% change) + linmin: converged after 2 iterations. + iteration 663: trace = 2.451795060251452 (1.6348e-06% change) + linmin: converged after 2 iterations. + iteration 664: trace = 2.451795034779711 (1.0389e-06% change) + large trace change predicted (3.26985e-06%) linmin: converged after 4 iterations. - iteration 739: trace = 2.412630422117292 (4.25316e-07% change) - linmin: converged after 31 iterations. - iteration 740: trace = 2.412630421162608 (3.95702e-08% change) - large trace change predicted (2.18836e-07%) - linmin: converged after 19 iterations. - iteration 741: trace = 2.412630415882541 (2.18851e-07% change) - linmin: converged after 3 iterations. - iteration 742: trace = 2.412630413598977 (9.46504e-08% change) + iteration 665: trace = 2.451794954619095 (3.26947e-06% change) linmin: converged after 3 iterations. - iteration 743: trace = 2.412630412505465 (4.53245e-08% change) - large trace change predicted (1.26626e-07%) - linmin: converged after 21 iterations. - iteration 744: trace = 2.412630409450342 (1.2663e-07% change) - linmin: converged after 7 iterations. - iteration 745: trace = 2.412630406140488 (1.37189e-07% change) - linmin: converged after 6 iterations. - iteration 746: trace = 2.412630405455217 (2.84035e-08% change) - large trace change predicted (1.57526e-07%) - linmin: converged after 11 iterations. - iteration 747: trace = 2.412630401654624 (1.57529e-07% change) + iteration 666: trace = 2.451794891593668 (2.57058e-06% change) linmin: converged after 4 iterations. - iteration 748: trace = 2.412630400040995 (6.68826e-08% change) - linmin: converged after 3 iterations. - iteration 749: trace = 2.412630398875223 (4.83195e-08% change) - large trace change predicted (1.44433e-07%) - linmin: converged after 23 iterations. - iteration 750: trace = 2.412630395390554 (1.44434e-07% change) + iteration 667: trace = 2.451794811609386 (3.26227e-06% change) + large trace change predicted (6.89969e-06%) linmin: converged after 4 iterations. - iteration 751: trace = 2.412630391577801 (1.58033e-07% change) - linmin: converged after 2 iterations. - iteration 752: trace = 2.412630390239896 (5.54542e-08% change) - large trace change predicted (1.41042e-07%) - linmin: converged after 18 iterations. - iteration 753: trace = 2.412630386837133 (1.4104e-07% change) - linmin: converged after 7 iterations. - iteration 754: trace = 2.412630380998193 (2.42016e-07% change) - linmin: converged after 32 iterations. - iteration 755: trace = 2.412630378758817 (9.28189e-08% change) - large trace change predicted (3.85767e-07%) - linmin: converged after 3 iterations. - iteration 756: trace = 2.412630369452035 (3.85753e-07% change) - linmin: converged after 16 iterations. - iteration 757: trace = 2.412630361949772 (3.10958e-07% change) - linmin: converged after 2 iterations. - iteration 758: trace = 2.412630353931812 (3.32333e-07% change) - linmin: converged after 9 iterations. - iteration 759: trace = 2.412630343761267 (4.21554e-07% change) - linmin: converged after 13 iterations. - iteration 760: trace = 2.412630341641721 (8.78521e-08% change) - large trace change predicted (2.09499e-07%) + iteration 668: trace = 2.451794642510754 (6.89693e-06% change) linmin: converged after 3 iterations. - iteration 761: trace = 2.412630336587362 (2.09496e-07% change) - linmin: converged after 9 iterations. - iteration 762: trace = 2.412630330239075 (2.63127e-07% change) + iteration 669: trace = 2.451794593826279 (1.98567e-06% change) linmin: converged after 3 iterations. - iteration 763: trace = 2.41263032943413 (3.33638e-08% change) - large trace change predicted (2.18555e-07%) + iteration 670: trace = 2.451794535884801 (2.36323e-06% change) linmin: converged after 8 iterations. - iteration 764: trace = 2.412630324161313 (2.18551e-07% change) - linmin: converged after 12 iterations. - iteration 765: trace = 2.412630322968184 (4.94534e-08% change) + iteration 671: trace = 2.451794458673795 (3.14916e-06% change) + linmin: converged after 3 iterations. + iteration 672: trace = 2.451794421172988 (1.52952e-06% change) linmin: converged after 2 iterations. - iteration 766: trace = 2.412630320703994 (9.38474e-08% change) - linmin: converged after 8 iterations. - iteration 767: trace = 2.412630319365513 (5.54781e-08% change) + iteration 673: trace = 2.451794383518507 (1.53579e-06% change) linmin: converged after 3 iterations. - iteration 768: trace = 2.412630317527879 (7.61672e-08% change) - linmin: converged after 9 iterations. - iteration 769: trace = 2.412630315728442 (7.45841e-08% change) - resetting CG direction... - linmin: converged after 34 iterations. - iteration 770: trace = 2.412630314002941 (7.15195e-08% change) - linmin: converged after 4 iterations. - iteration 771: trace = 2.412630312334698 (6.91462e-08% change) - linmin: converged after 4 iterations. - iteration 772: trace = 2.412630311072657 (5.23098e-08% change) - linmin: converged after 20 iterations. - iteration 773: trace = 2.412630310201734 (3.60985e-08% change) - large trace change predicted (1.00858e-07%) + iteration 674: trace = 2.451794346434137 (1.51254e-06% change) + linmin: converged after 21 iterations. + iteration 675: trace = 2.451794332120244 (5.83813e-07% change) + large trace change predicted (1.57717e-06%) linmin: converged after 4 iterations. - iteration 774: trace = 2.412630307768393 (1.00858e-07% change) - linmin: converged after 3 iterations. - iteration 775: trace = 2.412630303398672 (1.81119e-07% change) + iteration 676: trace = 2.451794293453219 (1.57709e-06% change) + linmin: converged after 9 iterations. + iteration 677: trace = 2.451794260976018 (1.32463e-06% change) linmin: converged after 7 iterations. - iteration 776: trace = 2.412630302344466 (4.36953e-08% change) - large trace change predicted (1.43487e-07%) - linmin: converged after 28 iterations. - iteration 777: trace = 2.412630298882664 (1.43487e-07% change) - linmin: converged after 20 iterations. - iteration 778: trace = 2.412630293349228 (2.29353e-07% change) - linmin: converged after 5 iterations. - iteration 779: trace = 2.412630291782287 (6.49474e-08% change) - large trace change predicted (3.79797e-07%) - linmin: converged after 17 iterations. - iteration 780: trace = 2.412630282619255 (3.79794e-07% change) - linmin: converged after 18 iterations. - iteration 781: trace = 2.412630278611255 (1.66126e-07% change) - large trace change predicted (3.44064e-07%) - linmin: converged after 3 iterations. - iteration 782: trace = 2.412630270310145 (3.44069e-07% change) - linmin: converged after 11 iterations. - iteration 783: trace = 2.412630264638863 (2.35066e-07% change) - linmin: converged after 3 iterations. - iteration 784: trace = 2.412630262012753 (1.08848e-07% change) + iteration 678: trace = 2.451794249308333 (4.75884e-07% change) + large trace change predicted (1.19746e-06%) linmin: converged after 2 iterations. - iteration 785: trace = 2.412630257534532 (1.85616e-07% change) + iteration 679: trace = 2.451794219948865 (1.19747e-06% change) linmin: converged after 2 iterations. - iteration 786: trace = 2.412630253415061 (1.70746e-07% change) + iteration 680: trace = 2.45179417412615 (1.86895e-06% change) linmin: converged after 3 iterations. - iteration 787: trace = 2.412630252621948 (3.28734e-08% change) - large trace change predicted (1.43601e-07%) - linmin: converged after 24 iterations. - iteration 788: trace = 2.41263024915729 (1.43605e-07% change) + iteration 681: trace = 2.451794136006345 (1.55477e-06% change) linmin: converged after 3 iterations. - iteration 789: trace = 2.412630247705548 (6.01726e-08% change) - linmin: converged after 4 iterations. - iteration 790: trace = 2.412630246642179 (4.40751e-08% change) + iteration 682: trace = 2.451794089601267 (1.8927e-06% change) linmin: converged after 4 iterations. - iteration 791: trace = 2.412630244692875 (8.07958e-08% change) - linmin: converged after 14 iterations. - iteration 792: trace = 2.412630242850142 (7.63786e-08% change) - linmin: converged after 4 iterations. - iteration 793: trace = 2.412630241342932 (6.24717e-08% change) - linmin: converged after 24 iterations. - iteration 794: trace = 2.412630238989813 (9.75333e-08% change) - linmin: converged after 3 iterations. - iteration 795: trace = 2.412630237919453 (4.43649e-08% change) - linmin: converged after 26 iterations. - iteration 796: trace = 2.41263023639565 (6.31594e-08% change) - linmin: converged after 3 iterations. - iteration 797: trace = 2.412630234404551 (8.25282e-08% change) - linmin: converged after 22 iterations. - iteration 798: trace = 2.412630231415624 (1.23887e-07% change) - linmin: converged after 15 iterations. - iteration 799: trace = 2.412630229447239 (8.15867e-08% change) - large trace change predicted (2.53304e-07%) - linmin: converged after 3 iterations. - iteration 800: trace = 2.412630223336504 (2.53281e-07% change) - linmin: converged after 14 iterations. - iteration 801: trace = 2.412630219508458 (1.58667e-07% change) + iteration 683: trace = 2.451794014539813 (3.06149e-06% change) linmin: converged after 3 iterations. - iteration 802: trace = 2.41263021656119 (1.2216e-07% change) - large trace change predicted (4.23832e-07%) - linmin: converged after 19 iterations. - iteration 803: trace = 2.412630206338954 (4.23697e-07% change) - linmin: converged after 11 iterations. - iteration 804: trace = 2.412630200502285 (2.41921e-07% change) + iteration 684: trace = 2.451793982619474 (1.30192e-06% change) + large trace change predicted (2.78548e-06%) linmin: converged after 4 iterations. - iteration 805: trace = 2.412630194327604 (2.55931e-07% change) - linmin: converged after 6 iterations. - iteration 806: trace = 2.412630189155901 (2.1436e-07% change) - linmin: converged after 23 iterations. - iteration 807: trace = 2.412630184255125 (2.0313e-07% change) - linmin: converged after 3 iterations. - iteration 808: trace = 2.412630183113364 (4.73243e-08% change) - large trace change predicted (1.78707e-07%) - linmin: converged after 5 iterations. - iteration 809: trace = 2.412630178802017 (1.78699e-07% change) - linmin: converged after 3 iterations. - iteration 810: trace = 2.412630176103099 (1.11866e-07% change) - linmin: converged after 15 iterations. - iteration 811: trace = 2.412630174655609 (5.99964e-08% change) - large trace change predicted (1.468e-07%) - linmin: converged after 3 iterations. - iteration 812: trace = 2.412630171114174 (1.46787e-07% change) - linmin: converged after 4 iterations. - iteration 813: trace = 2.412630170541555 (2.37342e-08% change) - large trace change predicted (8.56223e-08%) - linmin: converged after 6 iterations. - iteration 814: trace = 2.412630168475846 (8.56206e-08% change) - linmin: converged after 6 iterations. - iteration 815: trace = 2.412630166425033 (8.50032e-08% change) - linmin: converged after 3 iterations. - iteration 816: trace = 2.41263016596134 (1.92194e-08% change) - large trace change predicted (1.22756e-07%) + iteration 685: trace = 2.451793914318813 (2.78574e-06% change) linmin: converged after 4 iterations. - iteration 817: trace = 2.412630162999704 (1.22756e-07% change) + iteration 686: trace = 2.45179379862206 (4.71886e-06% change) linmin: converged after 3 iterations. - iteration 818: trace = 2.412630161544896 (6.02997e-08% change) + iteration 687: trace = 2.451793761214239 (1.52573e-06% change) + large trace change predicted (3.53177e-06%) linmin: converged after 3 iterations. - iteration 819: trace = 2.412630160401213 (4.7404e-08% change) - large trace change predicted (1.04857e-07%) - linmin: converged after 3 iterations. - iteration 820: trace = 2.412630157871396 (1.04857e-07% change) - linmin: converged after 3 iterations. - iteration 821: trace = 2.412630155502437 (9.81899e-08% change) - linmin: converged after 17 iterations. - iteration 822: trace = 2.41263015373589 (7.32208e-08% change) - large trace change predicted (2.11537e-07%) - linmin: converged after 3 iterations. - iteration 823: trace = 2.412630148632152 (2.11543e-07% change) - linmin: converged after 3 iterations. - iteration 824: trace = 2.412630147596164 (4.29402e-08% change) - large trace change predicted (4.24036e-07%) - linmin: converged after 9 iterations. - iteration 825: trace = 2.412630137365308 (4.24054e-07% change) + iteration 688: trace = 2.451793674612057 (3.5322e-06% change) linmin: converged after 4 iterations. - iteration 826: trace = 2.412630131637216 (2.37421e-07% change) - linmin: converged after 5 iterations. - iteration 827: trace = 2.412630125367094 (2.59887e-07% change) - linmin: converged after 2 iterations. - iteration 828: trace = 2.412630115580674 (4.05633e-07% change) - linmin: converged after 3 iterations. - iteration 829: trace = 2.412630106176529 (3.89788e-07% change) - linmin: converged after 38 iterations. - iteration 830: trace = 2.412630104317195 (7.70667e-08% change) - large trace change predicted (1.84428e-07%) - linmin: converged after 3 iterations. - iteration 831: trace = 2.41263009986758 (1.8443e-07% change) - linmin: converged after 3 iterations. - iteration 832: trace = 2.412630097204729 (1.10371e-07% change) - linmin: converged after 3 iterations. - iteration 833: trace = 2.412630096236547 (4.01297e-08% change) - large trace change predicted (1.12539e-07%) - linmin: converged after 9 iterations. - iteration 834: trace = 2.412630093521376 (1.1254e-07% change) + iteration 689: trace = 2.451793557201975 (4.78874e-06% change) + linmin: converged after 24 iterations. + iteration 690: trace = 2.451793529109657 (1.14579e-06% change) + large trace change predicted (2.32228e-06%) linmin: converged after 3 iterations. - iteration 835: trace = 2.41263009130243 (9.19721e-08% change) + iteration 691: trace = 2.451793472165132 (2.32257e-06% change) linmin: converged after 3 iterations. - iteration 836: trace = 2.41263009081976 (2.0006e-08% change) - large trace change predicted (1.0333e-07%) + iteration 692: trace = 2.451793420784572 (2.09563e-06% change) linmin: converged after 3 iterations. - iteration 837: trace = 2.412630088326788 (1.0333e-07% change) + iteration 693: trace = 2.451793411865767 (3.63767e-07% change) + large trace change predicted (1.28869e-06%) linmin: converged after 3 iterations. - iteration 838: trace = 2.412630087184927 (4.73285e-08% change) + iteration 694: trace = 2.45179338026805 (1.28876e-06% change) + linmin: converged after 21 iterations. + iteration 695: trace = 2.451793354359715 (1.05671e-06% change) + linmin: converged after 8 iterations. + iteration 696: trace = 2.451793342043061 (5.02353e-07% change) + large trace change predicted (1.84863e-06%) linmin: converged after 7 iterations. - iteration 839: trace = 2.412630086005061 (4.89037e-08% change) - resetting CG direction... - linmin: converged after 6 iterations. - iteration 840: trace = 2.412630084853224 (4.77419e-08% change) + iteration 697: trace = 2.451793296717229 (1.84868e-06% change) linmin: converged after 4 iterations. - iteration 841: trace = 2.412630083775452 (4.46721e-08% change) - large trace change predicted (9.87849e-08%) - linmin: converged after 4 iterations. - iteration 842: trace = 2.412630081392131 (9.87852e-08% change) - linmin: converged after 3 iterations. - iteration 843: trace = 2.412630080919055 (1.96083e-08% change) - large trace change predicted (8.72356e-08%) - linmin: converged after 19 iterations. - iteration 844: trace = 2.412630078814388 (8.72354e-08% change) - linmin: converged after 9 iterations. - iteration 845: trace = 2.412630076522828 (9.49818e-08% change) - linmin: converged after 3 iterations. - iteration 846: trace = 2.412630075547689 (4.04181e-08% change) - large trace change predicted (9.2334e-08%) + iteration 698: trace = 2.451793229645062 (2.73564e-06% change) + linmin: converged after 28 iterations. + iteration 699: trace = 2.451793155550562 (3.02205e-06% change) + resetting CG direction... linmin: converged after 4 iterations. - iteration 847: trace = 2.412630073320048 (9.23325e-08% change) - linmin: converged after 13 iterations. - iteration 848: trace = 2.412630069081791 (1.7567e-07% change) + iteration 700: trace = 2.451793085724027 (2.84798e-06% change) linmin: converged after 2 iterations. - iteration 849: trace = 2.412630067837733 (5.15644e-08% change) - large trace change predicted (3.41124e-07%) - linmin: converged after 30 iterations. - iteration 850: trace = 2.412630059607968 (3.41112e-07% change) - linmin: converged after 6 iterations. - iteration 851: trace = 2.412630055236741 (1.81181e-07% change) - linmin: converged after 14 iterations. - iteration 852: trace = 2.412630048927199 (2.61521e-07% change) - linmin: converged after 3 iterations. - iteration 853: trace = 2.41263004326056 (2.34874e-07% change) + iteration 701: trace = 2.451793027712305 (2.36609e-06% change) linmin: converged after 3 iterations. - iteration 854: trace = 2.412630035362064 (3.27381e-07% change) - linmin: converged after 4 iterations. - iteration 855: trace = 2.412630034623983 (3.05924e-08% change) - large trace change predicted (1.22412e-07%) - linmin: converged after 4 iterations. - iteration 856: trace = 2.412630031670645 (1.22412e-07% change) - linmin: converged after 4 iterations. - iteration 857: trace = 2.412630029864731 (7.48525e-08% change) - linmin: converged after 9 iterations. - iteration 858: trace = 2.412630029083334 (3.23878e-08% change) - large trace change predicted (7.69998e-08%) - linmin: converged after 3 iterations. - iteration 859: trace = 2.412630027225611 (7.69999e-08% change) + iteration 702: trace = 2.451792988585494 (1.59584e-06% change) linmin: converged after 3 iterations. - iteration 860: trace = 2.412630026050904 (4.86899e-08% change) - linmin: converged after 8 iterations. - iteration 861: trace = 2.412630025045656 (4.16661e-08% change) - linmin: converged after 2 iterations. - iteration 862: trace = 2.412630023160149 (7.81515e-08% change) - linmin: converged after 4 iterations. - iteration 863: trace = 2.412630022805833 (1.46859e-08% change) - large trace change predicted (4.65662e-08%) - linmin: converged after 4 iterations. - iteration 864: trace = 2.412630021682353 (4.65666e-08% change) - linmin: converged after 4 iterations. - iteration 865: trace = 2.412630020105678 (6.53509e-08% change) - linmin: converged after 4 iterations. - iteration 866: trace = 2.412630019766103 (1.40749e-08% change) - large trace change predicted (9.34969e-08%) - linmin: converged after 20 iterations. - iteration 867: trace = 2.412630017510174 (9.3505e-08% change) - linmin: converged after 4 iterations. - iteration 868: trace = 2.412630016426371 (4.4922e-08% change) + iteration 703: trace = 2.451792975330189 (5.40637e-07% change) linmin: converged after 7 iterations. - iteration 869: trace = 2.412630015371302 (4.37311e-08% change) - linmin: converged after 3 iterations. - iteration 870: trace = 2.412630013401023 (8.16652e-08% change) - linmin: converged after 4 iterations. - iteration 871: trace = 2.412630010552538 (1.18066e-07% change) - linmin: converged after 3 iterations. - iteration 872: trace = 2.4126300097959 (3.13615e-08% change) - large trace change predicted (1.66541e-07%) + iteration 704: trace = 2.451792951311631 (9.79632e-07% change) linmin: converged after 5 iterations. - iteration 873: trace = 2.412630005777557 (1.66554e-07% change) - linmin: converged after 3 iterations. - iteration 874: trace = 2.412630000327308 (2.25905e-07% change) + iteration 705: trace = 2.451792926098753 (1.02834e-06% change) linmin: converged after 3 iterations. - iteration 875: trace = 2.412629997601611 (1.12976e-07% change) - linmin: converged after 3 iterations. - iteration 876: trace = 2.412629996002416 (6.62843e-08% change) - large trace change predicted (2.32807e-07%) - linmin: converged after 3 iterations. - iteration 877: trace = 2.412629990384681 (2.32847e-07% change) - linmin: converged after 5 iterations. - iteration 878: trace = 2.412629989772531 (2.53727e-08% change) - large trace change predicted (1.47967e-07%) - linmin: converged after 4 iterations. - iteration 879: trace = 2.412629986202342 (1.47979e-07% change) - linmin: converged after 16 iterations. - iteration 880: trace = 2.412629985180147 (4.23685e-08% change) - linmin: converged after 2 iterations. - iteration 881: trace = 2.4126299837857 (5.77978e-08% change) + iteration 706: trace = 2.451792917425342 (3.53758e-07% change) + large trace change predicted (1.80414e-06%) linmin: converged after 4 iterations. - iteration 882: trace = 2.412629982846029 (3.8948e-08% change) + iteration 707: trace = 2.451792873194612 (1.80402e-06% change) linmin: converged after 3 iterations. - iteration 883: trace = 2.412629982045632 (3.31753e-08% change) - linmin: converged after 28 iterations. - iteration 884: trace = 2.412629981563856 (1.99689e-08% change) - large trace change predicted (4.71691e-08%) - linmin: converged after 3 iterations. - iteration 885: trace = 2.412629980425849 (4.71688e-08% change) - linmin: converged after 6 iterations. - iteration 886: trace = 2.412629980010091 (1.72326e-08% change) - large trace change predicted (5.13306e-08%) - linmin: converged after 6 iterations. - iteration 887: trace = 2.412629978771683 (5.13302e-08% change) + iteration 708: trace = 2.451792857357357 (6.45946e-07% change) + large trace change predicted (2.047e-06%) linmin: converged after 3 iterations. - iteration 888: trace = 2.412629978098695 (2.78943e-08% change) + iteration 709: trace = 2.451792807172699 (2.04686e-06% change) linmin: converged after 3 iterations. - iteration 889: trace = 2.412629977621283 (1.97881e-08% change) - large trace change predicted (4.03133e-08%) + iteration 710: trace = 2.451792723521504 (3.41184e-06% change) linmin: converged after 3 iterations. - iteration 890: trace = 2.412629976648673 (4.03133e-08% change) - linmin: converged after 15 iterations. - iteration 891: trace = 2.412629975084502 (6.48326e-08% change) - linmin: converged after 4 iterations. - iteration 892: trace = 2.412629974734866 (1.44919e-08% change) - large trace change predicted (6.46005e-08%) + iteration 711: trace = 2.451792683573185 (1.62935e-06% change) linmin: converged after 4 iterations. - iteration 893: trace = 2.412629973176286 (6.46009e-08% change) - linmin: converged after 10 iterations. - iteration 894: trace = 2.412629971143999 (8.42353e-08% change) + iteration 712: trace = 2.451792636918678 (1.90287e-06% change) linmin: converged after 3 iterations. - iteration 895: trace = 2.412629970287078 (3.55181e-08% change) - large trace change predicted (1.21358e-07%) - linmin: converged after 7 iterations. - iteration 896: trace = 2.412629967359126 (1.21359e-07% change) - linmin: converged after 5 iterations. - iteration 897: trace = 2.41262996325066 (1.7029e-07% change) - linmin: converged after 10 iterations. - iteration 898: trace = 2.412629961827745 (5.89777e-08% change) - large trace change predicted (1.47248e-07%) - linmin: converged after 13 iterations. - iteration 899: trace = 2.412629958275279 (1.47245e-07% change) - linmin: converged after 22 iterations. - iteration 900: trace = 2.41262995762309 (2.70323e-08% change) - large trace change predicted (6.70779e-08%) + iteration 713: trace = 2.451792555838403 (3.30698e-06% change) linmin: converged after 3 iterations. - iteration 901: trace = 2.412629956004767 (6.70771e-08% change) - linmin: converged after 8 iterations. - iteration 902: trace = 2.412629953853624 (8.91618e-08% change) - linmin: converged after 6 iterations. - iteration 903: trace = 2.412629952339011 (6.27785e-08% change) + iteration 714: trace = 2.451792532656624 (9.45503e-07% change) linmin: converged after 3 iterations. - iteration 904: trace = 2.412629951824864 (2.13106e-08% change) - large trace change predicted (4.56631e-08%) - linmin: converged after 4 iterations. - iteration 905: trace = 2.412629950723184 (4.56631e-08% change) - linmin: converged after 9 iterations. - iteration 906: trace = 2.41262995043129 (1.20986e-08% change) - linmin: converged after 4 iterations. - iteration 907: trace = 2.412629950115063 (1.31072e-08% change) - large trace change predicted (4.82051e-08%) - linmin: converged after 9 iterations. - iteration 908: trace = 2.412629948952074 (4.82042e-08% change) - linmin: converged after 4 iterations. - iteration 909: trace = 2.412629948000506 (3.94411e-08% change) - resetting CG direction... - linmin: converged after 2 iterations. - iteration 910: trace = 2.412629947096256 (3.74798e-08% change) + iteration 715: trace = 2.451792489954129 (1.74168e-06% change) + linmin: converged after 7 iterations. + iteration 716: trace = 2.451792440521404 (2.01619e-06% change) linmin: converged after 4 iterations. - iteration 911: trace = 2.412629946063116 (4.28222e-08% change) - linmin: converged after 13 iterations. - iteration 912: trace = 2.412629945705591 (1.48189e-08% change) - linmin: converged after 3 iterations. - iteration 913: trace = 2.412629945403778 (1.25097e-08% change) - large trace change predicted (3.66869e-08%) + iteration 717: trace = 2.451792425507326 (6.12371e-07% change) + large trace change predicted (1.67205e-06%) linmin: converged after 3 iterations. - iteration 914: trace = 2.412629944518654 (3.66871e-08% change) - linmin: converged after 8 iterations. - iteration 915: trace = 2.412629943941131 (2.39375e-08% change) - linmin: converged after 19 iterations. - iteration 916: trace = 2.412629942846111 (4.5387e-08% change) + iteration 718: trace = 2.451792384515159 (1.67193e-06% change) + linmin: converged after 20 iterations. + iteration 719: trace = 2.451792360210478 (9.91303e-07% change) linmin: converged after 4 iterations. - iteration 917: trace = 2.41262994195871 (3.67815e-08% change) - linmin: converged after 3 iterations. - iteration 918: trace = 2.412629940945351 (4.20023e-08% change) - linmin: converged after 32 iterations. - iteration 919: trace = 2.412629939456953 (6.16919e-08% change) - large trace change predicted (1.39475e-07%) + iteration 720: trace = 2.451792337538702 (9.24702e-07% change) linmin: converged after 4 iterations. - iteration 920: trace = 2.412629936091918 (1.39476e-07% change) - linmin: converged after 8 iterations. - iteration 921: trace = 2.412629935440238 (2.70112e-08% change) - large trace change predicted (1.37329e-07%) - linmin: converged after 16 iterations. - iteration 922: trace = 2.41262993212697 (1.3733e-07% change) - linmin: converged after 9 iterations. - iteration 923: trace = 2.412629929854697 (9.41824e-08% change) - linmin: converged after 25 iterations. - iteration 924: trace = 2.41262992903042 (3.41651e-08% change) - large trace change predicted (6.89212e-08%) - linmin: converged after 13 iterations. - iteration 925: trace = 2.412629927367583 (6.89222e-08% change) - linmin: converged after 4 iterations. - iteration 926: trace = 2.412629925481372 (7.81807e-08% change) - linmin: converged after 3 iterations. - iteration 927: trace = 2.412629925170021 (1.2905e-08% change) - large trace change predicted (4.50779e-08%) + iteration 721: trace = 2.451792329952102 (3.09431e-07% change) + large trace change predicted (1.00576e-06%) linmin: converged after 2 iterations. - iteration 928: trace = 2.412629924082459 (4.50779e-08% change) - linmin: converged after 3 iterations. - iteration 929: trace = 2.412629923616154 (1.93277e-08% change) - linmin: converged after 3 iterations. - iteration 930: trace = 2.412629923335968 (1.16133e-08% change) - large trace change predicted (3.70642e-08%) - linmin: converged after 3 iterations. - iteration 931: trace = 2.412629922441755 (3.70638e-08% change) - linmin: converged after 4 iterations. - iteration 932: trace = 2.412629921545873 (3.7133e-08% change) - linmin: converged after 3 iterations. - iteration 933: trace = 2.412629921236584 (1.28196e-08% change) - linmin: converged after 3 iterations. - iteration 934: trace = 2.412629920621312 (2.55021e-08% change) - linmin: converged after 4 iterations. - iteration 935: trace = 2.412629919788004 (3.45394e-08% change) - linmin: converged after 3 iterations. - iteration 936: trace = 2.412629919585213 (8.4054e-09% change) - large trace change predicted (3.2847e-08%) + iteration 722: trace = 2.451792305292875 (1.00576e-06% change) + linmin: converged after 6 iterations. + iteration 723: trace = 2.451792299603056 (2.32068e-07% change) + large trace change predicted (1.00057e-06%) + linmin: converged after 5 iterations. + iteration 724: trace = 2.451792275070663 (1.00059e-06% change) + linmin: converged after 16 iterations. + iteration 725: trace = 2.451792257370213 (7.21939e-07% change) linmin: converged after 3 iterations. - iteration 937: trace = 2.412629918792752 (3.28463e-08% change) + iteration 726: trace = 2.451792247922332 (3.85346e-07% change) + large trace change predicted (1.08445e-06%) linmin: converged after 20 iterations. - iteration 938: trace = 2.412629917916981 (3.62995e-08% change) - linmin: converged after 3 iterations. - iteration 939: trace = 2.412629917146474 (3.19364e-08% change) - linmin: converged after 8 iterations. - iteration 940: trace = 2.412629916255733 (3.69199e-08% change) - large trace change predicted (8.63994e-08%) - linmin: converged after 3 iterations. - iteration 941: trace = 2.412629914171304 (8.63966e-08% change) - linmin: converged after 10 iterations. - iteration 942: trace = 2.412629913732433 (1.81906e-08% change) - large trace change predicted (1.72939e-07%) - linmin: converged after 22 iterations. - iteration 943: trace = 2.412629909560476 (1.72922e-07% change) + iteration 727: trace = 2.451792221332563 (1.0845e-06% change) linmin: converged after 2 iterations. - iteration 944: trace = 2.412629908693916 (3.59176e-08% change) - large trace change predicted (1.61041e-07%) - linmin: converged after 4 iterations. - iteration 945: trace = 2.412629904808962 (1.61026e-07% change) - linmin: converged after 11 iterations. - iteration 946: trace = 2.412629902806294 (8.30077e-08% change) - linmin: converged after 12 iterations. - iteration 947: trace = 2.412629901003231 (7.47343e-08% change) - linmin: converged after 3 iterations. - iteration 948: trace = 2.412629900520371 (2.00138e-08% change) - large trace change predicted (6.2617e-08%) - linmin: converged after 8 iterations. - iteration 949: trace = 2.412629899009689 (6.26156e-08% change) - linmin: converged after 4 iterations. - iteration 950: trace = 2.412629897714054 (5.37022e-08% change) - linmin: converged after 9 iterations. - iteration 951: trace = 2.412629897292119 (1.74886e-08% change) - large trace change predicted (4.40285e-08%) - linmin: converged after 3 iterations. - iteration 952: trace = 2.412629896229895 (4.40277e-08% change) - linmin: converged after 7 iterations. - iteration 953: trace = 2.412629895835679 (1.63397e-08% change) - linmin: converged after 31 iterations. - iteration 954: trace = 2.41262989545988 (1.55763e-08% change) - large trace change predicted (4.40494e-08%) - linmin: converged after 4 iterations. - iteration 955: trace = 2.412629894397146 (4.40488e-08% change) - linmin: converged after 3 iterations. - iteration 956: trace = 2.412629894177326 (9.11121e-09% change) - large trace change predicted (4.35654e-08%) - linmin: converged after 3 iterations. - iteration 957: trace = 2.41262989312627 (4.35648e-08% change) - linmin: converged after 3 iterations. - iteration 958: trace = 2.412629892693353 (1.79438e-08% change) - linmin: converged after 3 iterations. - iteration 959: trace = 2.412629892094426 (2.48246e-08% change) - linmin: converged after 5 iterations. - iteration 960: trace = 2.412629891158984 (3.87727e-08% change) - linmin: converged after 6 iterations. - iteration 961: trace = 2.412629890450349 (2.93719e-08% change) - linmin: converged after 4 iterations. - iteration 962: trace = 2.412629890044665 (1.6815e-08% change) - large trace change predicted (7.79877e-08%) - linmin: converged after 4 iterations. - iteration 963: trace = 2.412629888163096 (7.79883e-08% change) - linmin: converged after 3 iterations. - iteration 964: trace = 2.412629886947771 (5.03734e-08% change) - large trace change predicted (1.19346e-07%) - linmin: converged after 4 iterations. - iteration 965: trace = 2.412629884068335 (1.19348e-07% change) - linmin: converged after 4 iterations. - iteration 966: trace = 2.412629880344576 (1.54344e-07% change) - linmin: converged after 10 iterations. - iteration 967: trace = 2.412629877828252 (1.04298e-07% change) - linmin: converged after 4 iterations. - iteration 968: trace = 2.412629876766644 (4.40021e-08% change) - large trace change predicted (1.53344e-07%) - linmin: converged after 24 iterations. - iteration 969: trace = 2.41262987306691 (1.53349e-07% change) - linmin: converged after 3 iterations. - iteration 970: trace = 2.412629872084477 (4.07204e-08% change) - linmin: converged after 4 iterations. - iteration 971: trace = 2.412629870941752 (4.73643e-08% change) - linmin: converged after 4 iterations. - iteration 972: trace = 2.412629869864672 (4.46434e-08% change) - linmin: converged after 4 iterations. - iteration 973: trace = 2.41262986936404 (2.07505e-08% change) - linmin: converged after 3 iterations. - iteration 974: trace = 2.412629868864745 (2.06951e-08% change) - linmin: converged after 13 iterations. - iteration 975: trace = 2.412629868071305 (3.28869e-08% change) - linmin: converged after 3 iterations. - iteration 976: trace = 2.412629867904632 (6.90837e-09% change) - large trace change predicted (4.18304e-08%) - linmin: converged after 3 iterations. - iteration 977: trace = 2.412629866895409 (4.18308e-08% change) - linmin: converged after 4 iterations. - iteration 978: trace = 2.412629866098786 (3.30189e-08% change) - linmin: converged after 3 iterations. - iteration 979: trace = 2.412629864748495 (5.59676e-08% change) - resetting CG direction... - linmin: converged after 4 iterations. - iteration 980: trace = 2.412629863545178 (4.98757e-08% change) + iteration 728: trace = 2.451792189930345 (1.28079e-06% change) linmin: converged after 8 iterations. - iteration 981: trace = 2.412629862858517 (2.84611e-08% change) - linmin: converged after 3 iterations. - iteration 982: trace = 2.412629862100964 (3.13994e-08% change) + iteration 729: trace = 2.45179216701132 (9.34787e-07% change) linmin: converged after 3 iterations. - iteration 983: trace = 2.412629861885926 (8.91302e-09% change) - large trace change predicted (3.86844e-08%) + iteration 730: trace = 2.451792132760034 (1.39699e-06% change) + large trace change predicted (3.39326e-06%) linmin: converged after 4 iterations. - iteration 984: trace = 2.412629860952619 (3.86842e-08% change) + iteration 731: trace = 2.451792049536569 (3.39439e-06% change) linmin: converged after 3 iterations. - iteration 985: trace = 2.412629860525339 (1.77102e-08% change) + iteration 732: trace = 2.451792014676204 (1.42183e-06% change) linmin: converged after 5 iterations. - iteration 986: trace = 2.412629860196476 (1.36309e-08% change) - large trace change predicted (3.9324e-08%) - linmin: converged after 21 iterations. - iteration 987: trace = 2.412629859247733 (3.9324e-08% change) - linmin: converged after 17 iterations. - iteration 988: trace = 2.412629858594462 (2.70772e-08% change) - linmin: converged after 7 iterations. - iteration 989: trace = 2.412629857614493 (4.06183e-08% change) - large trace change predicted (1.15146e-07%) - linmin: converged after 4 iterations. - iteration 990: trace = 2.412629854836491 (1.15144e-07% change) - linmin: converged after 19 iterations. - iteration 991: trace = 2.412629854082428 (3.12548e-08% change) - large trace change predicted (6.28935e-08%) - linmin: converged after 4 iterations. - iteration 992: trace = 2.412629852565037 (6.28937e-08% change) - large trace change predicted (1.49805e-07%) - linmin: converged after 3 iterations. - iteration 993: trace = 2.412629848950882 (1.49801e-07% change) - linmin: converged after 30 iterations. - iteration 994: trace = 2.412629848207922 (3.07946e-08% change) - large trace change predicted (7.84549e-08%) - linmin: converged after 12 iterations. - iteration 995: trace = 2.412629846315109 (7.84543e-08% change) - linmin: converged after 4 iterations. - iteration 996: trace = 2.41262984535935 (3.96148e-08% change) - linmin: converged after 4 iterations. - iteration 997: trace = 2.412629844930482 (1.7776e-08% change) - linmin: converged after 4 iterations. - iteration 998: trace = 2.412629844252526 (2.81003e-08% change) + iteration 733: trace = 2.451791983221194 (1.28294e-06% change) linmin: converged after 3 iterations. - iteration 999: trace = 2.412629843325026 (3.84435e-08% change) - linmin: converged after 9 iterations. - iteration 1000: trace = 2.412629843164996 (6.63302e-09% change) - large trace change predicted (2.14305e-08%) - linmin: converged after 25 iterations. - iteration 1001: trace = 2.412629842647958 (2.14305e-08% change) - linmin: converged after 4 iterations. - iteration 1002: trace = 2.412629842207104 (1.82728e-08% change) + iteration 734: trace = 2.451791942954613 (1.64233e-06% change) linmin: converged after 3 iterations. - iteration 1003: trace = 2.412629841946901 (1.0785e-08% change) - linmin: converged after 10 iterations. - iteration 1004: trace = 2.412629841632628 (1.30262e-08% change) - large trace change predicted (2.69475e-08%) - linmin: converged after 30 iterations. - iteration 1005: trace = 2.412629840982474 (2.69479e-08% change) - linmin: converged after 22 iterations. - iteration 1006: trace = 2.412629840877706 (4.34251e-09% change) - large trace change predicted (3.23115e-08%) - linmin: converged after 5 iterations. - iteration 1007: trace = 2.41262984009813 (3.23123e-08% change) - linmin: converged after 4 iterations. - iteration 1008: trace = 2.412629839751881 (1.43515e-08% change) - linmin: converged after 4 iterations. - iteration 1009: trace = 2.41262983958712 (6.82911e-09% change) - large trace change predicted (4.12517e-08%) + iteration 735: trace = 2.451791920495132 (9.16043e-07% change) linmin: converged after 5 iterations. - iteration 1010: trace = 2.412629838591845 (4.12527e-08% change) - linmin: converged after 4 iterations. - iteration 1011: trace = 2.412629838120655 (1.95301e-08% change) + iteration 736: trace = 2.451791908498561 (4.89298e-07% change) + large trace change predicted (1.51078e-06%) linmin: converged after 3 iterations. - iteration 1012: trace = 2.412629837510762 (2.52792e-08% change) - large trace change predicted (6.32167e-08%) + iteration 737: trace = 2.45179187145215 (1.51099e-06% change) + linmin: converged after 2 iterations. + iteration 738: trace = 2.451791852763278 (7.62254e-07% change) + linmin: converged after 8 iterations. + iteration 739: trace = 2.45179183632236 (6.70567e-07% change) linmin: converged after 15 iterations. - iteration 1013: trace = 2.412629835985489 (6.32203e-08% change) - linmin: converged after 3 iterations. - iteration 1014: trace = 2.412629835631574 (1.46693e-08% change) - large trace change predicted (7.57536e-08%) - linmin: converged after 19 iterations. - iteration 1015: trace = 2.412629833803829 (7.57574e-08% change) - linmin: converged after 3 iterations. - iteration 1016: trace = 2.412629832362236 (5.9752e-08% change) + iteration 740: trace = 2.451791817929479 (7.50181e-07% change) linmin: converged after 3 iterations. - iteration 1017: trace = 2.412629831910247 (1.87343e-08% change) - large trace change predicted (7.29303e-08%) - linmin: converged after 22 iterations. - iteration 1018: trace = 2.412629830150612 (7.29343e-08% change) - linmin: converged after 27 iterations. - iteration 1019: trace = 2.412629829443364 (2.93144e-08% change) + iteration 741: trace = 2.451791810046499 (3.21519e-07% change) + linmin: converged after 2 iterations. + iteration 742: trace = 2.451791794869256 (6.19027e-07% change) linmin: converged after 4 iterations. - iteration 1020: trace = 2.412629828968342 (1.9689e-08% change) + iteration 743: trace = 2.45179178511742 (3.97743e-07% change) linmin: converged after 9 iterations. - iteration 1021: trace = 2.412629828506349 (1.91489e-08% change) - linmin: converged after 3 iterations. - iteration 1022: trace = 2.412629827984003 (2.16505e-08% change) - linmin: converged after 31 iterations. - iteration 1023: trace = 2.412629827616924 (1.52149e-08% change) - linmin: converged after 16 iterations. - iteration 1024: trace = 2.412629827409932 (8.57949e-09% change) - linmin: converged after 4 iterations. - iteration 1025: trace = 2.412629827030375 (1.57321e-08% change) - linmin: converged after 4 iterations. - iteration 1026: trace = 2.412629826909312 (5.01787e-09% change) - large trace change predicted (1.45454e-08%) - linmin: converged after 4 iterations. - iteration 1027: trace = 2.412629826558385 (1.45454e-08% change) - linmin: converged after 27 iterations. - iteration 1028: trace = 2.412629826249745 (1.27927e-08% change) - linmin: converged after 4 iterations. - iteration 1029: trace = 2.412629826162839 (3.60211e-09% change) - large trace change predicted (1.99901e-08%) - linmin: converged after 3 iterations. - iteration 1030: trace = 2.412629825680554 (1.999e-08% change) + iteration 744: trace = 2.451791779574747 (2.26066e-07% change) linmin: converged after 13 iterations. - iteration 1031: trace = 2.41262982547264 (8.6177e-09% change) - linmin: converged after 7 iterations. - iteration 1032: trace = 2.412629825146364 (1.35237e-08% change) + iteration 745: trace = 2.451791769121058 (4.26369e-07% change) + large trace change predicted (8.74043e-07%) linmin: converged after 22 iterations. - iteration 1033: trace = 2.412629824792251 (1.46775e-08% change) - linmin: converged after 6 iterations. - iteration 1034: trace = 2.412629824093842 (2.8948e-08% change) - linmin: converged after 6 iterations. - iteration 1035: trace = 2.41262982367828 (1.72244e-08% change) - large trace change predicted (4.03548e-08%) - linmin: converged after 3 iterations. - iteration 1036: trace = 2.412629822704666 (4.03549e-08% change) - linmin: converged after 4 iterations. - iteration 1037: trace = 2.412629822310552 (1.63354e-08% change) - large trace change predicted (7.0546e-08%) - linmin: converged after 11 iterations. - iteration 1038: trace = 2.412629820608553 (7.05454e-08% change) - linmin: converged after 6 iterations. - iteration 1039: trace = 2.412629819755971 (3.53383e-08% change) - linmin: converged after 4 iterations. - iteration 1040: trace = 2.412629819101847 (2.71125e-08% change) - linmin: converged after 3 iterations. - iteration 1041: trace = 2.412629818478117 (2.58527e-08% change) - linmin: converged after 4 iterations. - iteration 1042: trace = 2.412629817860864 (2.55842e-08% change) - linmin: converged after 34 iterations. - iteration 1043: trace = 2.412629817739202 (5.04274e-09% change) - large trace change predicted (2.31791e-08%) - linmin: converged after 38 iterations. - iteration 1044: trace = 2.412629817179984 (2.31788e-08% change) - linmin: converged after 7 iterations. - iteration 1045: trace = 2.412629817058231 (5.04646e-09% change) - large trace change predicted (1.48557e-08%) - linmin: converged after 24 iterations. - iteration 1046: trace = 2.41262981669982 (1.48556e-08% change) + iteration 746: trace = 2.451791747691703 (8.74028e-07% change) linmin: converged after 14 iterations. - iteration 1047: trace = 2.412629816529682 (7.05198e-09% change) - linmin: converged after 6 iterations. - iteration 1048: trace = 2.412629816447601 (3.40212e-09% change) - large trace change predicted (1.03698e-08%) - linmin: converged after 12 iterations. - iteration 1049: trace = 2.412629816197413 (1.03699e-08% change) - resetting CG direction... + iteration 747: trace = 2.451791742963328 (1.92854e-07% change) + large trace change predicted (1.23547e-06%) linmin: converged after 3 iterations. - iteration 1050: trace = 2.412629815984674 (8.81769e-09% change) + iteration 748: trace = 2.451791712673437 (1.23542e-06% change) linmin: converged after 4 iterations. - iteration 1051: trace = 2.412629815909481 (3.11667e-09% change) - large trace change predicted (8.16028e-09%) + iteration 749: trace = 2.451791684309316 (1.15687e-06% change) + linmin: converged after 2 iterations. + iteration 750: trace = 2.451791652243739 (1.30784e-06% change) linmin: converged after 4 iterations. - iteration 1052: trace = 2.412629815712607 (8.16014e-09% change) + iteration 751: trace = 2.451791626920219 (1.03286e-06% change) linmin: converged after 2 iterations. - iteration 1053: trace = 2.412629815440551 (1.12763e-08% change) - linmin: converged after 22 iterations. - iteration 1054: trace = 2.412629815353476 (3.60916e-09% change) - large trace change predicted (2.10156e-08%) + iteration 752: trace = 2.451791584413363 (1.73371e-06% change) + linmin: converged after 3 iterations. + iteration 753: trace = 2.451791566567452 (7.27872e-07% change) + linmin: converged after 3 iterations. + iteration 754: trace = 2.451791542290819 (9.90159e-07% change) linmin: converged after 5 iterations. - iteration 1055: trace = 2.412629814846445 (2.10157e-08% change) - linmin: converged after 27 iterations. - iteration 1056: trace = 2.412629814710474 (5.63581e-09% change) - large trace change predicted (1.94301e-08%) - linmin: converged after 2 iterations. - iteration 1057: trace = 2.412629814241695 (1.94302e-08% change) + iteration 755: trace = 2.451791513957271 (1.15563e-06% change) + linmin: converged after 3 iterations. + iteration 756: trace = 2.45179150659481 (3.00289e-07% change) + large trace change predicted (7.9438e-07%) linmin: converged after 5 iterations. - iteration 1058: trace = 2.412629813657432 (2.42169e-08% change) + iteration 757: trace = 2.451791487118677 (7.94363e-07% change) linmin: converged after 7 iterations. - iteration 1059: trace = 2.412629813162883 (2.04983e-08% change) - linmin: converged after 12 iterations. - iteration 1060: trace = 2.412629812289742 (3.61904e-08% change) + iteration 758: trace = 2.451791475790345 (4.62043e-07% change) linmin: converged after 3 iterations. - iteration 1061: trace = 2.412629811028063 (5.22948e-08% change) - linmin: converged after 18 iterations. - iteration 1062: trace = 2.412629810679151 (1.44619e-08% change) - large trace change predicted (2.90844e-08%) - linmin: converged after 32 iterations. - iteration 1063: trace = 2.412629809977447 (2.90846e-08% change) - linmin: converged after 11 iterations. - iteration 1064: trace = 2.412629809486695 (2.0341e-08% change) - linmin: converged after 4 iterations. - iteration 1065: trace = 2.412629809252496 (9.7072e-09% change) - large trace change predicted (2.44557e-08%) - linmin: converged after 24 iterations. - iteration 1066: trace = 2.412629808662468 (2.44558e-08% change) - linmin: converged after 2 iterations. - iteration 1067: trace = 2.412629808288325 (1.55077e-08% change) - linmin: converged after 20 iterations. - iteration 1068: trace = 2.412629808183221 (4.35642e-09% change) - linmin: converged after 7 iterations. - iteration 1069: trace = 2.412629808011935 (7.09954e-09% change) - linmin: converged after 4 iterations. - iteration 1070: trace = 2.412629807738854 (1.13188e-08% change) - linmin: converged after 2 iterations. - iteration 1071: trace = 2.412629807677861 (2.52807e-09% change) - large trace change predicted (1.5228e-08%) - linmin: converged after 2 iterations. - iteration 1072: trace = 2.412629807310466 (1.5228e-08% change) - linmin: converged after 8 iterations. - iteration 1073: trace = 2.412629807206427 (4.3123e-09% change) - large trace change predicted (1.18308e-08%) - linmin: converged after 32 iterations. - iteration 1074: trace = 2.412629806920994 (1.18307e-08% change) - linmin: converged after 4 iterations. - iteration 1075: trace = 2.412629806704846 (8.95906e-09% change) - linmin: converged after 5 iterations. - iteration 1076: trace = 2.412629806542727 (6.71959e-09% change) + iteration 759: trace = 2.451791467812246 (3.25399e-07% change) + linmin: converged after 13 iterations. + iteration 760: trace = 2.451791458660025 (3.73287e-07% change) linmin: converged after 3 iterations. - iteration 1077: trace = 2.412629806274798 (1.11052e-08% change) - linmin: converged after 26 iterations. - iteration 1078: trace = 2.412629805845823 (1.77804e-08% change) - linmin: converged after 2 iterations. - iteration 1079: trace = 2.412629805588176 (1.06791e-08% change) - linmin: converged after 4 iterations. - iteration 1080: trace = 2.412629805201436 (1.60298e-08% change) + iteration 761: trace = 2.451791446622615 (4.90964e-07% change) linmin: converged after 7 iterations. - iteration 1081: trace = 2.41262980472553 (1.97256e-08% change) - large trace change predicted (6.32318e-08%) + iteration 762: trace = 2.451791443974202 (1.0802e-07% change) + large trace change predicted (4.2163e-07%) linmin: converged after 3 iterations. - iteration 1082: trace = 2.412629803200066 (6.32283e-08% change) - linmin: converged after 4 iterations. - iteration 1083: trace = 2.412629802741909 (1.899e-08% change) - large trace change predicted (5.37076e-08%) - linmin: converged after 22 iterations. - iteration 1084: trace = 2.412629801446201 (5.37052e-08% change) - linmin: converged after 24 iterations. - iteration 1085: trace = 2.412629800862739 (2.41837e-08% change) - linmin: converged after 4 iterations. - iteration 1086: trace = 2.412629800601384 (1.08328e-08% change) - large trace change predicted (3.04478e-08%) - linmin: converged after 10 iterations. - iteration 1087: trace = 2.412629799866803 (3.04473e-08% change) + iteration 763: trace = 2.45179143363678 (4.21627e-07% change) linmin: converged after 3 iterations. - iteration 1088: trace = 2.412629799350177 (2.14134e-08% change) - linmin: converged after 29 iterations. - iteration 1089: trace = 2.412629799225591 (5.1639e-09% change) - large trace change predicted (1.89076e-08%) - linmin: converged after 11 iterations. - iteration 1090: trace = 2.412629798769434 (1.89071e-08% change) + iteration 764: trace = 2.451791425001521 (3.52202e-07% change) linmin: converged after 2 iterations. - iteration 1091: trace = 2.412629798577574 (7.95231e-09% change) + iteration 765: trace = 2.451791414824426 (4.15088e-07% change) linmin: converged after 3 iterations. - iteration 1092: trace = 2.412629798333592 (1.01127e-08% change) - linmin: converged after 3 iterations. - iteration 1093: trace = 2.412629798124874 (8.65104e-09% change) - linmin: converged after 4 iterations. - iteration 1094: trace = 2.412629797939717 (7.67448e-09% change) - linmin: converged after 4 iterations. - iteration 1095: trace = 2.41262979777021 (7.02582e-09% change) - large trace change predicted (1.5569e-08%) - linmin: converged after 3 iterations. - iteration 1096: trace = 2.412629797394588 (1.5569e-08% change) - linmin: converged after 7 iterations. - iteration 1097: trace = 2.412629797326813 (2.80918e-09% change) - large trace change predicted (8.10864e-09%) - linmin: converged after 4 iterations. - iteration 1098: trace = 2.412629797131182 (8.10861e-09% change) - linmin: converged after 25 iterations. - iteration 1099: trace = 2.412629796756931 (1.55122e-08% change) - linmin: converged after 11 iterations. - iteration 1100: trace = 2.412629796595836 (6.67716e-09% change) - large trace change predicted (1.55985e-08%) - linmin: converged after 13 iterations. - iteration 1101: trace = 2.412629796219503 (1.55985e-08% change) - linmin: converged after 4 iterations. - iteration 1102: trace = 2.41262979567259 (2.26687e-08% change) - linmin: converged after 5 iterations. - iteration 1103: trace = 2.412629795547905 (5.168e-09% change) - large trace change predicted (4.93729e-08%) + iteration 766: trace = 2.451791402968253 (4.83572e-07% change) linmin: converged after 2 iterations. - iteration 1104: trace = 2.412629794356703 (4.93736e-08% change) - linmin: converged after 22 iterations. - iteration 1105: trace = 2.412629793449353 (3.76083e-08% change) - linmin: converged after 32 iterations. - iteration 1106: trace = 2.41262979269133 (3.1419e-08% change) - linmin: converged after 7 iterations. - iteration 1107: trace = 2.412629791839958 (3.52881e-08% change) - linmin: converged after 9 iterations. - iteration 1108: trace = 2.412629790416732 (5.89906e-08% change) - linmin: converged after 3 iterations. - iteration 1109: trace = 2.412629790204755 (8.78616e-09% change) - large trace change predicted (2.22164e-08%) - linmin: converged after 21 iterations. - iteration 1110: trace = 2.412629789668755 (2.22164e-08% change) - linmin: converged after 37 iterations. - iteration 1111: trace = 2.412629789317712 (1.45502e-08% change) - linmin: converged after 5 iterations. - iteration 1112: trace = 2.412629789155554 (6.72119e-09% change) - linmin: converged after 4 iterations. - iteration 1113: trace = 2.412629788911368 (1.01212e-08% change) - linmin: converged after 24 iterations. - iteration 1114: trace = 2.412629788675285 (9.78527e-09% change) + iteration 767: trace = 2.451791385304242 (7.20453e-07% change) linmin: converged after 5 iterations. - iteration 1115: trace = 2.412629788600126 (3.11525e-09% change) - large trace change predicted (1.42705e-08%) - linmin: converged after 3 iterations. - iteration 1116: trace = 2.41262978825583 (1.42706e-08% change) + iteration 768: trace = 2.451791371004968 (5.83217e-07% change) linmin: converged after 6 iterations. - iteration 1117: trace = 2.41262978816116 (3.92394e-09% change) - large trace change predicted (1.74541e-08%) - linmin: converged after 4 iterations. - iteration 1118: trace = 2.412629787740058 (1.74541e-08% change) - large trace change predicted (6.3657e-08%) - linmin: converged after 3 iterations. - iteration 1119: trace = 2.412629786204226 (6.3658e-08% change) + iteration 769: trace = 2.451791357402584 (5.54794e-07% change) resetting CG direction... - linmin: converged after 30 iterations. - iteration 1120: trace = 2.412629785285744 (3.80698e-08% change) - linmin: converged after 2 iterations. - iteration 1121: trace = 2.412629784620151 (2.75879e-08% change) - linmin: converged after 22 iterations. - iteration 1122: trace = 2.412629784332103 (1.19391e-08% change) - linmin: converged after 4 iterations. - iteration 1123: trace = 2.412629784238997 (3.85913e-09% change) - large trace change predicted (1.05024e-08%) - linmin: converged after 3 iterations. - iteration 1124: trace = 2.412629783985613 (1.05024e-08% change) - linmin: converged after 15 iterations. - iteration 1125: trace = 2.412629783779505 (8.54288e-09% change) - linmin: converged after 14 iterations. - iteration 1126: trace = 2.412629783693836 (3.55088e-09% change) - large trace change predicted (8.91197e-09%) - linmin: converged after 4 iterations. - iteration 1127: trace = 2.412629783478826 (8.91184e-09% change) - linmin: converged after 19 iterations. - iteration 1128: trace = 2.412629783185753 (1.21474e-08% change) - linmin: converged after 6 iterations. - iteration 1129: trace = 2.412629783091349 (3.91289e-09% change) - large trace change predicted (2.23757e-08%) - linmin: converged after 9 iterations. - iteration 1130: trace = 2.412629782551514 (2.23754e-08% change) - linmin: converged after 8 iterations. - iteration 1131: trace = 2.412629782250037 (1.24958e-08% change) - large trace change predicted (2.58146e-08%) linmin: converged after 3 iterations. - iteration 1132: trace = 2.412629781627233 (2.58143e-08% change) - linmin: converged after 4 iterations. - iteration 1133: trace = 2.412629781118458 (2.1088e-08% change) - linmin: converged after 4 iterations. - iteration 1134: trace = 2.412629780624438 (2.04764e-08% change) - linmin: converged after 27 iterations. - iteration 1135: trace = 2.412629779799263 (3.42023e-08% change) + iteration 770: trace = 2.451791344499367 (5.26277e-07% change) linmin: converged after 5 iterations. - iteration 1136: trace = 2.412629779002777 (3.30132e-08% change) - linmin: converged after 6 iterations. - iteration 1137: trace = 2.412629778802315 (8.30889e-09% change) - linmin: converged after 30 iterations. - iteration 1138: trace = 2.41262977864878 (6.36376e-09% change) - large trace change predicted (1.44523e-08%) - linmin: converged after 4 iterations. - iteration 1139: trace = 2.412629778300097 (1.44524e-08% change) - linmin: converged after 3 iterations. - iteration 1140: trace = 2.41262977804243 (1.06799e-08% change) - linmin: converged after 2 iterations. - iteration 1141: trace = 2.412629777972584 (2.89497e-09% change) - large trace change predicted (1.20991e-08%) + iteration 771: trace = 2.451791331425246 (5.33248e-07% change) linmin: converged after 2 iterations. - iteration 1142: trace = 2.412629777680676 (1.20992e-08% change) - linmin: converged after 2 iterations. - iteration 1143: trace = 2.412629777627251 (2.21438e-09% change) - large trace change predicted (6.60275e-09%) - linmin: converged after 6 iterations. - iteration 1144: trace = 2.412629777467953 (6.60269e-09% change) + iteration 772: trace = 2.451791315790381 (6.37691e-07% change) linmin: converged after 3 iterations. - iteration 1145: trace = 2.412629777328626 (5.77491e-09% change) - linmin: converged after 18 iterations. - iteration 1146: trace = 2.412629777281504 (1.95315e-09% change) - large trace change predicted (7.51945e-09%) - linmin: converged after 4 iterations. - iteration 1147: trace = 2.412629777100085 (7.51955e-09% change) + iteration 773: trace = 2.451791308095383 (3.13852e-07% change) linmin: converged after 3 iterations. - iteration 1148: trace = 2.412629776899561 (8.31141e-09% change) - linmin: converged after 17 iterations. - iteration 1149: trace = 2.412629776856743 (1.77475e-09% change) - large trace change predicted (6.23329e-09%) - linmin: converged after 6 iterations. - iteration 1150: trace = 2.412629776706354 (6.23339e-09% change) + iteration 774: trace = 2.451791294981478 (5.3487e-07% change) linmin: converged after 4 iterations. - iteration 1151: trace = 2.412629776455408 (1.04013e-08% change) + iteration 775: trace = 2.451791286809296 (3.33315e-07% change) linmin: converged after 3 iterations. - iteration 1152: trace = 2.412629776329157 (5.23292e-09% change) - linmin: converged after 4 iterations. - iteration 1153: trace = 2.4126297760858 (1.00868e-08% change) - large trace change predicted (2.52895e-08%) - linmin: converged after 10 iterations. - iteration 1154: trace = 2.412629775475638 (2.52903e-08% change) - linmin: converged after 6 iterations. - iteration 1155: trace = 2.412629775355432 (4.98239e-09% change) - large trace change predicted (3.10659e-08%) - linmin: converged after 14 iterations. - iteration 1156: trace = 2.412629774605901 (3.1067e-08% change) - linmin: converged after 11 iterations. - iteration 1157: trace = 2.412629774238465 (1.52297e-08% change) - linmin: converged after 4 iterations. - iteration 1158: trace = 2.412629774098556 (5.79902e-09% change) - large trace change predicted (2.37378e-08%) + iteration 776: trace = 2.451791280435474 (2.59966e-07% change) linmin: converged after 7 iterations. - iteration 1159: trace = 2.412629773525842 (2.37382e-08% change) - linmin: converged after 6 iterations. - iteration 1160: trace = 2.41262977323481 (1.20628e-08% change) - linmin: converged after 23 iterations. - iteration 1161: trace = 2.4126297731781 (2.35057e-09% change) - large trace change predicted (7.86384e-09%) - linmin: converged after 6 iterations. - iteration 1162: trace = 2.412629772988374 (7.86387e-09% change) + iteration 777: trace = 2.451791275405882 (2.05139e-07% change) + large trace change predicted (4.67144e-07%) + linmin: converged after 3 iterations. + iteration 778: trace = 2.451791263952287 (4.67152e-07% change) linmin: converged after 10 iterations. - iteration 1163: trace = 2.412629772801721 (7.73647e-09% change) - linmin: converged after 4 iterations. - iteration 1164: trace = 2.412629772738612 (2.61578e-09% change) - linmin: converged after 6 iterations. - iteration 1165: trace = 2.412629772656318 (3.41096e-09% change) - large trace change predicted (8.49693e-09%) - linmin: converged after 29 iterations. - iteration 1166: trace = 2.412629772451317 (8.49703e-09% change) - linmin: converged after 6 iterations. - iteration 1167: trace = 2.412629772424772 (1.10025e-09% change) - large trace change predicted (6.62217e-09%) - linmin: converged after 2 iterations. - iteration 1168: trace = 2.412629772265004 (6.62214e-09% change) - linmin: converged after 12 iterations. - iteration 1169: trace = 2.412629772217689 (1.96114e-09% change) - linmin: converged after 22 iterations. - iteration 1170: trace = 2.412629772171407 (1.91831e-09% change) - large trace change predicted (4.56178e-09%) - linmin: converged after 4 iterations. - iteration 1171: trace = 2.412629772061349 (4.56173e-09% change) + iteration 779: trace = 2.451791260921534 (1.23614e-07% change) + large trace change predicted (4.9716e-07%) linmin: converged after 3 iterations. - iteration 1172: trace = 2.412629771978395 (3.43833e-09% change) + iteration 780: trace = 2.451791248732089 (4.97165e-07% change) linmin: converged after 23 iterations. - iteration 1173: trace = 2.412629771870292 (4.48072e-09% change) - linmin: converged after 6 iterations. - iteration 1174: trace = 2.412629771677091 (8.0079e-09% change) - linmin: converged after 3 iterations. - iteration 1175: trace = 2.412629771578531 (4.08518e-09% change) - linmin: converged after 24 iterations. - iteration 1176: trace = 2.412629771400784 (7.36734e-09% change) - linmin: converged after 3 iterations. - iteration 1177: trace = 2.412629771106779 (1.21861e-08% change) - linmin: converged after 4 iterations. - iteration 1178: trace = 2.412629770816844 (1.20174e-08% change) - linmin: converged after 4 iterations. - iteration 1179: trace = 2.412629770432511 (1.59301e-08% change) + iteration 781: trace = 2.451791238902134 (4.0093e-07% change) linmin: converged after 3 iterations. - iteration 1180: trace = 2.412629770139651 (1.21386e-08% change) - linmin: converged after 4 iterations. - iteration 1181: trace = 2.412629769998484 (5.85117e-09% change) - linmin: converged after 4 iterations. - iteration 1182: trace = 2.412629769799624 (8.24246e-09% change) - linmin: converged after 6 iterations. - iteration 1183: trace = 2.412629769495837 (1.25915e-08% change) - linmin: converged after 4 iterations. - iteration 1184: trace = 2.412629769466725 (1.20666e-09% change) - large trace change predicted (7.2298e-09%) - linmin: converged after 4 iterations. - iteration 1185: trace = 2.412629769292296 (7.22984e-09% change) - linmin: converged after 9 iterations. - iteration 1186: trace = 2.412629769190405 (4.22321e-09% change) - linmin: converged after 20 iterations. - iteration 1187: trace = 2.412629769163527 (1.11404e-09% change) - large trace change predicted (3.41711e-09%) + iteration 782: trace = 2.451791233713921 (2.11609e-07% change) + large trace change predicted (6.52927e-07%) + linmin: converged after 2 iterations. + iteration 783: trace = 2.451791217705266 (6.52937e-07% change) + linmin: converged after 11 iterations. + iteration 784: trace = 2.451791196573251 (8.61901e-07% change) linmin: converged after 4 iterations. - iteration 1188: trace = 2.412629769081087 (3.41705e-09% change) + iteration 785: trace = 2.451791188789152 (3.17486e-07% change) + large trace change predicted (9.20351e-07%) linmin: converged after 3 iterations. - iteration 1189: trace = 2.412629769046571 (1.43064e-09% change) - resetting CG direction... - linmin: converged after 3 iterations. - iteration 1190: trace = 2.412629769024984 (8.94739e-10% change) - large trace change predicted (3.7042e-09%) - linmin: converged after 18 iterations. - iteration 1191: trace = 2.412629768935619 (3.70405e-09% change) - linmin: converged after 18 iterations. - iteration 1192: trace = 2.412629768911174 (1.01321e-09% change) - large trace change predicted (3.6588e-09%) - linmin: converged after 3 iterations. - iteration 1193: trace = 2.412629768822903 (3.65871e-09% change) + iteration 786: trace = 2.451791166223661 (9.20368e-07% change) linmin: converged after 4 iterations. - iteration 1194: trace = 2.412629768713915 (4.51741e-09% change) + iteration 787: trace = 2.451791136640457 (1.2066e-06% change) linmin: converged after 3 iterations. - iteration 1195: trace = 2.412629768649593 (2.66605e-09% change) - linmin: converged after 20 iterations. - iteration 1196: trace = 2.412629768567772 (3.39137e-09% change) - large trace change predicted (1.2651e-08%) - linmin: converged after 26 iterations. - iteration 1197: trace = 2.412629768262549 (1.2651e-08% change) - linmin: converged after 6 iterations. - iteration 1198: trace = 2.412629768204813 (2.39306e-09% change) - large trace change predicted (1.49944e-08%) - linmin: converged after 4 iterations. - iteration 1199: trace = 2.412629767843053 (1.49944e-08% change) - linmin: converged after 7 iterations. - iteration 1200: trace = 2.412629767641397 (8.35839e-09% change) + iteration 788: trace = 2.451791125964725 (4.35426e-07% change) + large trace change predicted (1.23532e-06%) + linmin: converged after 2 iterations. + iteration 789: trace = 2.451791095676414 (1.23535e-06% change) linmin: converged after 3 iterations. - iteration 1201: trace = 2.412629767510981 (5.40554e-09% change) - large trace change predicted (1.75094e-08%) - linmin: converged after 20 iterations. - iteration 1202: trace = 2.412629767088543 (1.75094e-08% change) + iteration 790: trace = 2.451791075573584 (8.19924e-07% change) linmin: converged after 5 iterations. - iteration 1203: trace = 2.412629766844732 (1.01056e-08% change) - linmin: converged after 22 iterations. - iteration 1204: trace = 2.412629766789431 (2.29215e-09% change) - large trace change predicted (7.40759e-09%) - linmin: converged after 7 iterations. - iteration 1205: trace = 2.412629766610714 (7.40754e-09% change) - linmin: converged after 4 iterations. - iteration 1206: trace = 2.412629766545879 (2.68733e-09% change) - linmin: converged after 16 iterations. - iteration 1207: trace = 2.412629766491425 (2.25703e-09% change) + iteration 791: trace = 2.45179106644881 (3.72168e-07% change) + large trace change predicted (7.92227e-07%) linmin: converged after 14 iterations. - iteration 1208: trace = 2.412629766410604 (3.34994e-09% change) - linmin: converged after 4 iterations. - iteration 1209: trace = 2.412629766322941 (3.63349e-09% change) - linmin: converged after 5 iterations. - iteration 1210: trace = 2.412629766300547 (9.28202e-10% change) - large trace change predicted (4.56964e-09%) - linmin: converged after 27 iterations. - iteration 1211: trace = 2.4126297661903 (4.56956e-09% change) - linmin: converged after 28 iterations. - iteration 1212: trace = 2.412629766159679 (1.26923e-09% change) - linmin: converged after 5 iterations. - iteration 1213: trace = 2.412629766107209 (2.17479e-09% change) - large trace change predicted (6.15387e-09%) - linmin: converged after 4 iterations. - iteration 1214: trace = 2.412629765958738 (6.15393e-09% change) - linmin: converged after 15 iterations. - iteration 1215: trace = 2.412629765937721 (8.71123e-10% change) - large trace change predicted (6.05422e-09%) - linmin: converged after 6 iterations. - iteration 1216: trace = 2.412629765791655 (6.0542e-09% change) - linmin: converged after 4 iterations. - iteration 1217: trace = 2.412629765696566 (3.94133e-09% change) + iteration 792: trace = 2.451791047024012 (7.9227e-07% change) + linmin: converged after 10 iterations. + iteration 793: trace = 2.451791036582271 (4.25882e-07% change) linmin: converged after 5 iterations. - iteration 1218: trace = 2.412629765652163 (1.84041e-09% change) - large trace change predicted (5.42084e-09%) - linmin: converged after 4 iterations. - iteration 1219: trace = 2.412629765521383 (5.42067e-09% change) + iteration 794: trace = 2.451791027644789 (3.64529e-07% change) linmin: converged after 3 iterations. - iteration 1220: trace = 2.412629765292854 (9.47217e-09% change) - linmin: converged after 27 iterations. - iteration 1221: trace = 2.412629764865739 (1.77033e-08% change) - linmin: converged after 3 iterations. - iteration 1222: trace = 2.412629764759303 (4.41161e-09% change) - large trace change predicted (8.85154e-09%) - linmin: converged after 4 iterations. - iteration 1223: trace = 2.412629764545749 (8.85149e-09% change) - large trace change predicted (2.17488e-08%) - linmin: converged after 4 iterations. - iteration 1224: trace = 2.41262976402105 (2.1748e-08% change) - linmin: converged after 4 iterations. - iteration 1225: trace = 2.412629763896617 (5.15758e-09% change) - large trace change predicted (1.04014e-08%) + iteration 795: trace = 2.451791018458989 (3.74657e-07% change) + linmin: converged after 2 iterations. + iteration 796: trace = 2.451791010080524 (3.41728e-07% change) linmin: converged after 10 iterations. - iteration 1226: trace = 2.412629763645672 (1.04013e-08% change) - linmin: converged after 9 iterations. - iteration 1227: trace = 2.412629763491985 (6.37011e-09% change) - linmin: converged after 12 iterations. - iteration 1228: trace = 2.41262976344217 (2.06477e-09% change) - large trace change predicted (4.41001e-09%) - linmin: converged after 5 iterations. - iteration 1229: trace = 2.412629763335776 (4.40988e-09% change) - linmin: converged after 6 iterations. - iteration 1230: trace = 2.412629763253042 (3.42922e-09% change) - linmin: converged after 18 iterations. - iteration 1231: trace = 2.412629763224399 (1.18719e-09% change) - large trace change predicted (4.93031e-09%) - linmin: converged after 6 iterations. - iteration 1232: trace = 2.412629763105451 (4.93024e-09% change) + iteration 797: trace = 2.45179100740468 (1.09138e-07% change) + large trace change predicted (5.28125e-07%) linmin: converged after 2 iterations. - iteration 1233: trace = 2.41262976305002 (2.29751e-09% change) + iteration 798: trace = 2.451790994456002 (5.28131e-07% change) + linmin: converged after 14 iterations. + iteration 799: trace = 2.451790984117047 (4.2169e-07% change) + linmin: converged after 9 iterations. + iteration 800: trace = 2.451790978844137 (2.15064e-07% change) + large trace change predicted (5.2082e-07%) + linmin: converged after 4 iterations. + iteration 801: trace = 2.451790966075212 (5.208e-07% change) linmin: converged after 5 iterations. - iteration 1234: trace = 2.412629762988576 (2.54679e-09% change) - linmin: converged after 19 iterations. - iteration 1235: trace = 2.412629762925001 (2.63507e-09% change) - linmin: converged after 17 iterations. - iteration 1236: trace = 2.412629762860254 (2.68368e-09% change) + iteration 802: trace = 2.451790948812782 (7.04074e-07% change) + linmin: converged after 4 iterations. + iteration 803: trace = 2.451790943671095 (2.09711e-07% change) + large trace change predicted (5.0564e-07%) linmin: converged after 3 iterations. - iteration 1237: trace = 2.412629762793069 (2.78472e-09% change) - large trace change predicted (6.29148e-09%) + iteration 804: trace = 2.451790931274741 (5.05604e-07% change) + linmin: converged after 8 iterations. + iteration 805: trace = 2.451790911531687 (8.0525e-07% change) linmin: converged after 12 iterations. - iteration 1238: trace = 2.412629762641278 (6.2915e-09% change) - linmin: converged after 20 iterations. - iteration 1239: trace = 2.412629762605794 (1.4708e-09% change) - large trace change predicted (6.40834e-09%) - linmin: converged after 13 iterations. - iteration 1240: trace = 2.412629762451185 (6.40831e-09% change) - linmin: converged after 5 iterations. - iteration 1241: trace = 2.412629762323697 (5.28417e-09% change) + iteration 806: trace = 2.451790904273025 (2.96056e-07% change) + large trace change predicted (1.38339e-06%) linmin: converged after 3 iterations. - iteration 1242: trace = 2.41262976226478 (2.44206e-09% change) - large trace change predicted (7.71381e-09%) - linmin: converged after 4 iterations. - iteration 1243: trace = 2.412629762078673 (7.71385e-09% change) - large trace change predicted (1.60411e-08%) - linmin: converged after 4 iterations. - iteration 1244: trace = 2.412629761691659 (1.60411e-08% change) - linmin: converged after 6 iterations. - iteration 1245: trace = 2.412629761629774 (2.56505e-09% change) - large trace change predicted (2.57066e-08%) - linmin: converged after 4 iterations. - iteration 1246: trace = 2.412629761009558 (2.57071e-08% change) - linmin: converged after 16 iterations. - iteration 1247: trace = 2.412629760625591 (1.59149e-08% change) - linmin: converged after 6 iterations. - iteration 1248: trace = 2.412629760544272 (3.37055e-09% change) - linmin: converged after 5 iterations. - iteration 1249: trace = 2.412629760413328 (5.42744e-09% change) - linmin: converged after 3 iterations. - iteration 1250: trace = 2.412629760264432 (6.1715e-09% change) + iteration 807: trace = 2.45179087036224 (1.3831e-06% change) + linmin: converged after 13 iterations. + iteration 808: trace = 2.451790822351143 (1.95821e-06% change) + linmin: converged after 2 iterations. + iteration 809: trace = 2.451790812670215 (3.94851e-07% change) + large trace change predicted (9.28013e-07%) linmin: converged after 6 iterations. - iteration 1251: trace = 2.4126297602213 (1.78775e-09% change) - large trace change predicted (5.26641e-09%) - linmin: converged after 21 iterations. - iteration 1252: trace = 2.412629760094243 (5.26637e-09% change) - linmin: converged after 19 iterations. - iteration 1253: trace = 2.412629760044959 (2.04274e-09% change) + iteration 810: trace = 2.451790789918114 (9.27979e-07% change) linmin: converged after 3 iterations. - iteration 1254: trace = 2.412629759973019 (2.9818e-09% change) - linmin: converged after 8 iterations. - iteration 1255: trace = 2.412629759890832 (3.40652e-09% change) - linmin: converged after 4 iterations. - iteration 1256: trace = 2.412629759817618 (3.03465e-09% change) - linmin: converged after 2 iterations. - iteration 1257: trace = 2.412629759793456 (1.00148e-09% change) - large trace change predicted (1.76927e-08%) - linmin: converged after 24 iterations. - iteration 1258: trace = 2.412629759366595 (1.76927e-08% change) + iteration 811: trace = 2.451790772309444 (7.18196e-07% change) linmin: converged after 2 iterations. - iteration 1259: trace = 2.412629758539749 (3.42716e-08% change) - resetting CG direction... - linmin: converged after 9 iterations. - iteration 1260: trace = 2.412629757814551 (3.00584e-08% change) + iteration 812: trace = 2.451790766590496 (2.33256e-07% change) + large trace change predicted (5.56431e-07%) linmin: converged after 3 iterations. - iteration 1261: trace = 2.412629757475903 (1.40365e-08% change) - linmin: converged after 2 iterations. - iteration 1262: trace = 2.412629757440358 (1.4733e-09% change) + iteration 813: trace = 2.451790752948322 (5.56417e-07% change) linmin: converged after 3 iterations. - iteration 1263: trace = 2.412629757391596 (2.02113e-09% change) - linmin: converged after 2 iterations. - iteration 1264: trace = 2.412629757294078 (4.04196e-09% change) - linmin: converged after 4 iterations. - iteration 1265: trace = 2.412629757279372 (6.09525e-10% change) - large trace change predicted (3.28627e-09%) - linmin: converged after 4 iterations. - iteration 1266: trace = 2.412629757200087 (3.28627e-09% change) - linmin: converged after 5 iterations. - iteration 1267: trace = 2.412629757132211 (2.81338e-09% change) - linmin: converged after 8 iterations. - iteration 1268: trace = 2.412629757095654 (1.51522e-09% change) - large trace change predicted (3.03193e-09%) - linmin: converged after 23 iterations. - iteration 1269: trace = 2.41262975702251 (3.03172e-09% change) - linmin: converged after 4 iterations. - iteration 1270: trace = 2.412629756895682 (5.25685e-09% change) - linmin: converged after 4 iterations. - iteration 1271: trace = 2.412629756858187 (1.55409e-09% change) - large trace change predicted (1.02554e-08%) - linmin: converged after 4 iterations. - iteration 1272: trace = 2.412629756610763 (1.02554e-08% change) + iteration 814: trace = 2.451790744035645 (3.63517e-07% change) linmin: converged after 4 iterations. - iteration 1273: trace = 2.41262975654644 (2.66612e-09% change) - large trace change predicted (9.45677e-09%) - linmin: converged after 15 iterations. - iteration 1274: trace = 2.412629756318284 (9.4567e-09% change) - linmin: converged after 4 iterations. - iteration 1275: trace = 2.412629756161828 (6.48488e-09% change) + iteration 815: trace = 2.451790739573502 (1.81995e-07% change) linmin: converged after 4 iterations. - iteration 1276: trace = 2.41262975592667 (9.74698e-09% change) - linmin: converged after 17 iterations. - iteration 1277: trace = 2.412629755840423 (3.57478e-09% change) - linmin: converged after 21 iterations. - iteration 1278: trace = 2.412629755705498 (5.59246e-09% change) - linmin: converged after 5 iterations. - iteration 1279: trace = 2.412629755648356 (2.36845e-09% change) - linmin: converged after 2 iterations. - iteration 1280: trace = 2.412629755578045 (2.91428e-09% change) - linmin: converged after 4 iterations. - iteration 1281: trace = 2.412629755509844 (2.82683e-09% change) - linmin: converged after 4 iterations. - iteration 1282: trace = 2.412629755406726 (4.27409e-09% change) - linmin: converged after 13 iterations. - iteration 1283: trace = 2.412629755393111 (5.64354e-10% change) - large trace change predicted (2.95764e-09%) - linmin: converged after 4 iterations. - iteration 1284: trace = 2.412629755321753 (2.95765e-09% change) - linmin: converged after 4 iterations. - iteration 1285: trace = 2.412629755294154 (1.14395e-09% change) - linmin: converged after 25 iterations. - iteration 1286: trace = 2.412629755282462 (4.84616e-10% change) - large trace change predicted (2.30047e-09%) - linmin: converged after 5 iterations. - iteration 1287: trace = 2.412629755226958 (2.30058e-09% change) - linmin: converged after 4 iterations. - iteration 1288: trace = 2.412629755204038 (9.49996e-10% change) - linmin: converged after 8 iterations. - iteration 1289: trace = 2.41262975516616 (1.56998e-09% change) - linmin: converged after 12 iterations. - iteration 1290: trace = 2.412629755112498 (2.22423e-09% change) - linmin: converged after 19 iterations. - iteration 1291: trace = 2.412629755075933 (1.51557e-09% change) + iteration 816: trace = 2.451790730932713 (3.52428e-07% change) linmin: converged after 10 iterations. - iteration 1292: trace = 2.412629755033724 (1.7495e-09% change) - large trace change predicted (3.91898e-09%) - linmin: converged after 20 iterations. - iteration 1293: trace = 2.412629754939174 (3.91895e-09% change) - linmin: converged after 10 iterations. - iteration 1294: trace = 2.412629754877637 (2.55064e-09% change) - large trace change predicted (5.84573e-09%) + iteration 817: trace = 2.451790721912209 (3.67915e-07% change) + linmin: converged after 28 iterations. + iteration 818: trace = 2.451790718917308 (1.22152e-07% change) + large trace change predicted (3.45089e-07%) linmin: converged after 8 iterations. - iteration 1295: trace = 2.412629754736601 (5.84572e-09% change) - linmin: converged after 4 iterations. - iteration 1296: trace = 2.412629754510858 (9.35674e-09% change) - linmin: converged after 23 iterations. - iteration 1297: trace = 2.412629754444356 (2.75641e-09% change) - linmin: converged after 5 iterations. - iteration 1298: trace = 2.41262975437153 (3.01852e-09% change) - large trace change predicted (8.36449e-09%) + iteration 819: trace = 2.451790710456406 (3.45091e-07% change) linmin: converged after 14 iterations. - iteration 1299: trace = 2.412629754169724 (8.36457e-09% change) - linmin: converged after 4 iterations. - iteration 1300: trace = 2.412629754144384 (1.0503e-09% change) - large trace change predicted (3.95064e-09%) - linmin: converged after 25 iterations. - iteration 1301: trace = 2.412629754049071 (3.95059e-09% change) - linmin: converged after 6 iterations. - iteration 1302: trace = 2.412629753998836 (2.08216e-09% change) - linmin: converged after 8 iterations. - iteration 1303: trace = 2.41262975395666 (1.74815e-09% change) + iteration 820: trace = 2.451790700974003 (3.86754e-07% change) linmin: converged after 18 iterations. - iteration 1304: trace = 2.412629753934212 (9.30411e-10% change) - large trace change predicted (2.17887e-09%) - linmin: converged after 27 iterations. - iteration 1305: trace = 2.412629753881643 (2.17891e-09% change) - linmin: converged after 20 iterations. - iteration 1306: trace = 2.41262975385131 (1.25726e-09% change) - linmin: converged after 33 iterations. - iteration 1307: trace = 2.412629753796222 (2.28333e-09% change) - linmin: converged after 4 iterations. - iteration 1308: trace = 2.412629753756786 (1.63457e-09% change) - linmin: converged after 17 iterations. - iteration 1309: trace = 2.412629753743622 (5.45616e-10% change) - linmin: converged after 4 iterations. - iteration 1310: trace = 2.412629753729929 (5.67538e-10% change) - large trace change predicted (1.55783e-09%) - linmin: converged after 4 iterations. - iteration 1311: trace = 2.412629753692345 (1.55781e-09% change) - linmin: converged after 9 iterations. - iteration 1312: trace = 2.412629753684235 (3.36146e-10% change) - large trace change predicted (1.9634e-09%) + iteration 821: trace = 2.451790695979424 (2.03711e-07% change) + large trace change predicted (8.72843e-07%) linmin: converged after 5 iterations. - iteration 1313: trace = 2.412629753636868 (1.96329e-09% change) - linmin: converged after 16 iterations. - iteration 1314: trace = 2.412629753584214 (2.18245e-09% change) - linmin: converged after 9 iterations. - iteration 1315: trace = 2.412629753562221 (9.11581e-10% change) - large trace change predicted (2.65107e-09%) - linmin: converged after 4 iterations. - iteration 1316: trace = 2.412629753498263 (2.65095e-09% change) - linmin: converged after 6 iterations. - iteration 1317: trace = 2.412629753445835 (2.17306e-09% change) - linmin: converged after 9 iterations. - iteration 1318: trace = 2.412629753390819 (2.28035e-09% change) - large trace change predicted (6.89292e-09%) - linmin: converged after 12 iterations. - iteration 1319: trace = 2.412629753224519 (6.89291e-09% change) - linmin: converged after 24 iterations. - iteration 1320: trace = 2.412629753099822 (5.16852e-09% change) - linmin: converged after 15 iterations. - iteration 1321: trace = 2.412629753058134 (1.72789e-09% change) - linmin: converged after 4 iterations. - iteration 1322: trace = 2.412629752975014 (3.44519e-09% change) - linmin: converged after 18 iterations. - iteration 1323: trace = 2.41262975293754 (1.55326e-09% change) - linmin: converged after 16 iterations. - iteration 1324: trace = 2.41262975292436 (5.46279e-10% change) - large trace change predicted (2.35618e-09%) - linmin: converged after 23 iterations. - iteration 1325: trace = 2.412629752867514 (2.35621e-09% change) - linmin: converged after 8 iterations. - iteration 1326: trace = 2.412629752848756 (7.77487e-10% change) - linmin: converged after 7 iterations. - iteration 1327: trace = 2.412629752826945 (9.04016e-10% change) - linmin: converged after 4 iterations. - iteration 1328: trace = 2.412629752800048 (1.11483e-09% change) - linmin: converged after 6 iterations. - iteration 1329: trace = 2.412629752795185 (2.01573e-10% change) - resetting CG direction... - linmin: converged after 19 iterations. - iteration 1330: trace = 2.412629752790479 (1.95057e-10% change) - large trace change predicted (9.55535e-10%) + iteration 822: trace = 2.451790674577272 (8.72919e-07% change) linmin: converged after 9 iterations. - iteration 1331: trace = 2.412629752767428 (9.55445e-10% change) - linmin: converged after 4 iterations. - iteration 1332: trace = 2.412629752755273 (5.03814e-10% change) - linmin: converged after 15 iterations. - iteration 1333: trace = 2.412629752736632 (7.72609e-10% change) - linmin: converged after 7 iterations. - iteration 1334: trace = 2.412629752703226 (1.38466e-09% change) - linmin: converged after 3 iterations. - iteration 1335: trace = 2.412629752678001 (1.04553e-09% change) - linmin: converged after 7 iterations. - iteration 1336: trace = 2.41262975265578 (9.21042e-10% change) - large trace change predicted (3.37974e-09%) - linmin: converged after 4 iterations. - iteration 1337: trace = 2.41262975257424 (3.3797e-09% change) - linmin: converged after 2 iterations. - iteration 1338: trace = 2.412629752538839 (1.46732e-09% change) - linmin: converged after 11 iterations. - iteration 1339: trace = 2.412629752494285 (1.84672e-09% change) - large trace change predicted (4.33282e-09%) - linmin: converged after 9 iterations. - iteration 1340: trace = 2.412629752389752 (4.33273e-09% change) - linmin: converged after 12 iterations. - iteration 1341: trace = 2.41262975227677 (4.68292e-09% change) - linmin: converged after 10 iterations. - iteration 1342: trace = 2.412629752216844 (2.48386e-09% change) - linmin: converged after 21 iterations. - iteration 1343: trace = 2.412629752136282 (3.33919e-09% change) - linmin: converged after 9 iterations. - iteration 1344: trace = 2.412629752115947 (8.42831e-10% change) - linmin: converged after 4 iterations. - iteration 1345: trace = 2.412629752083479 (1.34574e-09% change) - linmin: converged after 7 iterations. - iteration 1346: trace = 2.412629752053459 (1.24428e-09% change) - linmin: converged after 10 iterations. - iteration 1347: trace = 2.412629752043635 (4.07196e-10% change) - large trace change predicted (1.17762e-09%) - linmin: converged after 3 iterations. - iteration 1348: trace = 2.412629752015224 (1.1776e-09% change) - linmin: converged after 5 iterations. - iteration 1349: trace = 2.41262975198604 (1.20966e-09% change) - linmin: converged after 6 iterations. - iteration 1350: trace = 2.412629751981057 (2.06525e-10% change) - large trace change predicted (7.71756e-10%) - linmin: converged after 5 iterations. - iteration 1351: trace = 2.412629751962437 (7.71781e-10% change) - linmin: converged after 2 iterations. - iteration 1352: trace = 2.412629751934784 (1.14618e-09% change) + iteration 823: trace = 2.451790658729391 (6.4638e-07% change) linmin: converged after 13 iterations. - iteration 1353: trace = 2.412629751924951 (4.07565e-10% change) - large trace change predicted (2.27047e-09%) - linmin: converged after 6 iterations. - iteration 1354: trace = 2.412629751870173 (2.27045e-09% change) - linmin: converged after 22 iterations. - iteration 1355: trace = 2.41262975183336 (1.52585e-09% change) - linmin: converged after 4 iterations. - iteration 1356: trace = 2.412629751817247 (6.67837e-10% change) - linmin: converged after 7 iterations. - iteration 1357: trace = 2.412629751788747 (1.18132e-09% change) - linmin: converged after 4 iterations. - iteration 1358: trace = 2.412629751737714 (2.11522e-09% change) - linmin: converged after 4 iterations. - iteration 1359: trace = 2.412629751709765 (1.15844e-09% change) - large trace change predicted (2.44778e-09%) - linmin: converged after 5 iterations. - iteration 1360: trace = 2.412629751650712 (2.44767e-09% change) - large trace change predicted (6.15912e-09%) - linmin: converged after 6 iterations. - iteration 1361: trace = 2.412629751502116 (6.15908e-09% change) - linmin: converged after 6 iterations. - iteration 1362: trace = 2.412629751473994 (1.16563e-09% change) - large trace change predicted (2.98533e-09%) - linmin: converged after 6 iterations. - iteration 1363: trace = 2.412629751401969 (2.98533e-09% change) - linmin: converged after 23 iterations. - iteration 1364: trace = 2.412629751273424 (5.32801e-09% change) - linmin: converged after 5 iterations. - iteration 1365: trace = 2.412629751242358 (1.28761e-09% change) - large trace change predicted (3.23907e-09%) - linmin: converged after 6 iterations. - iteration 1366: trace = 2.412629751164213 (3.23904e-09% change) - linmin: converged after 25 iterations. - iteration 1367: trace = 2.412629751115151 (2.03352e-09% change) - linmin: converged after 4 iterations. - iteration 1368: trace = 2.41262975109976 (6.37963e-10% change) - linmin: converged after 13 iterations. - iteration 1369: trace = 2.412629751074046 (1.06578e-09% change) - linmin: converged after 4 iterations. - iteration 1370: trace = 2.412629751045275 (1.19254e-09% change) + iteration 824: trace = 2.451790647998464 (4.37677e-07% change) + large trace change predicted (9.23394e-07%) linmin: converged after 3 iterations. - iteration 1371: trace = 2.412629751029682 (6.46301e-10% change) - linmin: converged after 4 iterations. - iteration 1372: trace = 2.41262975101026 (8.05005e-10% change) - linmin: converged after 17 iterations. - iteration 1373: trace = 2.412629750975017 (1.46079e-09% change) - linmin: converged after 13 iterations. - iteration 1374: trace = 2.41262975096767 (3.04523e-10% change) - large trace change predicted (6.34961e-10%) - linmin: converged after 4 iterations. - iteration 1375: trace = 2.41262975095235 (6.34981e-10% change) - large trace change predicted (1.56294e-09%) - linmin: converged after 4 iterations. - iteration 1376: trace = 2.41262975091464 (1.56304e-09% change) - linmin: converged after 13 iterations. - iteration 1377: trace = 2.412629750907499 (2.95982e-10% change) - large trace change predicted (2.51112e-09%) - linmin: converged after 2 iterations. - iteration 1378: trace = 2.412629750846915 (2.5111e-09% change) - linmin: converged after 4 iterations. - iteration 1379: trace = 2.412629750822372 (1.01727e-09% change) + iteration 825: trace = 2.451790625357722 (9.23437e-07% change) linmin: converged after 2 iterations. - iteration 1380: trace = 2.412629750787525 (1.44437e-09% change) - linmin: converged after 3 iterations. - iteration 1381: trace = 2.412629750735961 (2.13724e-09% change) - linmin: converged after 28 iterations. - iteration 1382: trace = 2.412629750686041 (2.06911e-09% change) - linmin: converged after 3 iterations. - iteration 1383: trace = 2.412629750652544 (1.38839e-09% change) - large trace change predicted (4.3807e-09%) - linmin: converged after 25 iterations. - iteration 1384: trace = 2.412629750546855 (4.38068e-09% change) + iteration 826: trace = 2.451790595044365 (1.23638e-06% change) linmin: converged after 7 iterations. - iteration 1385: trace = 2.412629750387012 (6.62525e-09% change) - linmin: converged after 6 iterations. - iteration 1386: trace = 2.412629750366087 (8.67294e-10% change) - large trace change predicted (4.27266e-09%) - linmin: converged after 29 iterations. - iteration 1387: trace = 2.412629750263004 (4.27265e-09% change) - linmin: converged after 24 iterations. - iteration 1388: trace = 2.412629750210093 (2.19308e-09% change) - linmin: converged after 20 iterations. - iteration 1389: trace = 2.412629750186037 (9.97081e-10% change) - linmin: converged after 16 iterations. - iteration 1390: trace = 2.412629750143495 (1.76332e-09% change) - linmin: converged after 8 iterations. - iteration 1391: trace = 2.412629750106079 (1.55081e-09% change) - linmin: converged after 6 iterations. - iteration 1392: trace = 2.412629750095962 (4.19345e-10% change) - large trace change predicted (1.1752e-09%) - linmin: converged after 5 iterations. - iteration 1393: trace = 2.412629750067611 (1.17513e-09% change) - linmin: converged after 3 iterations. - iteration 1394: trace = 2.412629750053986 (5.64704e-10% change) + iteration 827: trace = 2.451790582709994 (5.03076e-07% change) linmin: converged after 4 iterations. - iteration 1395: trace = 2.412629750040806 (5.46297e-10% change) - large trace change predicted (1.25483e-09%) + iteration 828: trace = 2.451790565727669 (6.9265e-07% change) linmin: converged after 6 iterations. - iteration 1396: trace = 2.412629750010534 (1.25472e-09% change) - linmin: converged after 9 iterations. - iteration 1397: trace = 2.412629749969502 (1.70072e-09% change) - linmin: converged after 10 iterations. - iteration 1398: trace = 2.412629749905006 (2.67328e-09% change) - large trace change predicted (3.49327e-08%) + iteration 829: trace = 2.451790536229931 (1.20311e-06% change) linmin: converged after 3 iterations. - iteration 1399: trace = 2.412629749062203 (3.49329e-08% change) - resetting CG direction... - linmin: converged after 6 iterations. - iteration 1400: trace = 2.412629748818978 (1.00813e-08% change) - linmin: converged after 4 iterations. - iteration 1401: trace = 2.412629748703175 (4.79984e-09% change) - linmin: converged after 6 iterations. - iteration 1402: trace = 2.412629748595444 (4.4653e-09% change) - linmin: converged after 3 iterations. - iteration 1403: trace = 2.412629748518818 (3.17603e-09% change) - linmin: converged after 3 iterations. - iteration 1404: trace = 2.412629748454176 (2.67934e-09% change) - linmin: converged after 4 iterations. - iteration 1405: trace = 2.412629748435982 (7.54129e-10% change) + iteration 830: trace = 2.451790529580272 (2.71216e-07% change) + large trace change predicted (6.5157e-07%) linmin: converged after 5 iterations. - iteration 1406: trace = 2.41262974840364 (1.3405e-09% change) + iteration 831: trace = 2.451790513603768 (6.51626e-07% change) linmin: converged after 3 iterations. - iteration 1407: trace = 2.412629748368111 (1.47266e-09% change) - linmin: converged after 4 iterations. - iteration 1408: trace = 2.412629748346367 (9.01236e-10% change) - linmin: converged after 2 iterations. - iteration 1409: trace = 2.412629748310911 (1.46958e-09% change) - linmin: converged after 15 iterations. - iteration 1410: trace = 2.412629748288369 (9.34332e-10% change) - linmin: converged after 17 iterations. - iteration 1411: trace = 2.412629748277399 (4.54704e-10% change) - linmin: converged after 7 iterations. - iteration 1412: trace = 2.412629748257625 (8.1962e-10% change) + iteration 832: trace = 2.451790502327673 (4.59913e-07% change) linmin: converged after 3 iterations. - iteration 1413: trace = 2.412629748254446 (1.31756e-10% change) - large trace change predicted (2.789e-10%) - linmin: converged after 13 iterations. - iteration 1414: trace = 2.412629748247716 (2.78956e-10% change) - large trace change predicted (1.31621e-09%) + iteration 833: trace = 2.451790497711457 (1.88279e-07% change) + large trace change predicted (4.08626e-07%) + linmin: converged after 10 iterations. + iteration 834: trace = 2.451790487692555 (4.08636e-07% change) linmin: converged after 2 iterations. - iteration 1415: trace = 2.412629748215961 (1.3162e-09% change) - linmin: converged after 3 iterations. - iteration 1416: trace = 2.412629748204464 (4.76535e-10% change) - large trace change predicted (1.73027e-09%) - linmin: converged after 18 iterations. - iteration 1417: trace = 2.412629748162717 (1.73032e-09% change) - linmin: converged after 23 iterations. - iteration 1418: trace = 2.412629748134357 (1.17552e-09% change) + iteration 835: trace = 2.451790479807291 (3.21612e-07% change) linmin: converged after 4 iterations. - iteration 1419: trace = 2.412629748083245 (2.11848e-09% change) - linmin: converged after 14 iterations. - iteration 1420: trace = 2.412629748043848 (1.63296e-09% change) - linmin: converged after 20 iterations. - iteration 1421: trace = 2.412629747987947 (2.31704e-09% change) - linmin: converged after 12 iterations. - iteration 1422: trace = 2.412629747971979 (6.61837e-10% change) - large trace change predicted (1.37482e-09%) + iteration 836: trace = 2.451790475710351 (1.671e-07% change) + large trace change predicted (5.12943e-07%) linmin: converged after 15 iterations. - iteration 1423: trace = 2.412629747938809 (1.37486e-09% change) - linmin: converged after 21 iterations. - iteration 1424: trace = 2.412629747920434 (7.61584e-10% change) - linmin: converged after 3 iterations. - iteration 1425: trace = 2.412629747900895 (8.09883e-10% change) - linmin: converged after 3 iterations. - iteration 1426: trace = 2.412629747895985 (2.03506e-10% change) - large trace change predicted (7.66327e-10%) - linmin: converged after 8 iterations. - iteration 1427: trace = 2.412629747877495 (7.66388e-10% change) - linmin: converged after 4 iterations. - iteration 1428: trace = 2.412629747874149 (1.38696e-10% change) - linmin: converged after 4 iterations. - iteration 1429: trace = 2.412629747870973 (1.31627e-10% change) - large trace change predicted (4.546e-10%) - linmin: converged after 4 iterations. - iteration 1430: trace = 2.412629747860004 (4.54668e-10% change) - linmin: converged after 9 iterations. - iteration 1431: trace = 2.412629747848362 (4.82517e-10% change) + iteration 837: trace = 2.45179046313392 (5.12949e-07% change) linmin: converged after 3 iterations. - iteration 1432: trace = 2.412629747843392 (2.06009e-10% change) - large trace change predicted (7.64629e-10%) - linmin: converged after 11 iterations. - iteration 1433: trace = 2.412629747824942 (7.64713e-10% change) - linmin: converged after 9 iterations. - iteration 1434: trace = 2.412629747819464 (2.27067e-10% change) - large trace change predicted (8.71153e-10%) + iteration 838: trace = 2.451790446027759 (6.97701e-07% change) linmin: converged after 4 iterations. - iteration 1435: trace = 2.412629747798447 (8.71123e-10% change) - linmin: converged after 6 iterations. - iteration 1436: trace = 2.412629747784376 (5.8324e-10% change) - linmin: converged after 3 iterations. - iteration 1437: trace = 2.412629747764643 (8.17909e-10% change) - linmin: converged after 6 iterations. - iteration 1438: trace = 2.412629747760028 (1.91247e-10% change) - large trace change predicted (1.41585e-09%) - linmin: converged after 5 iterations. - iteration 1439: trace = 2.412629747725869 (1.41586e-09% change) - linmin: converged after 7 iterations. - iteration 1440: trace = 2.412629747707911 (7.44318e-10% change) - linmin: converged after 4 iterations. - iteration 1441: trace = 2.412629747684258 (9.80404e-10% change) - linmin: converged after 15 iterations. - iteration 1442: trace = 2.412629747655675 (1.18474e-09% change) + iteration 839: trace = 2.451790421158887 (1.01431e-06% change) + resetting CG direction... linmin: converged after 4 iterations. - iteration 1443: trace = 2.412629747617522 (1.58139e-09% change) + iteration 840: trace = 2.451790399476934 (8.84331e-07% change) linmin: converged after 2 iterations. - iteration 1444: trace = 2.412629747607043 (4.34328e-10% change) - large trace change predicted (1.06005e-09%) + iteration 841: trace = 2.451790387157403 (5.02471e-07% change) + linmin: converged after 13 iterations. + iteration 842: trace = 2.451790376265664 (4.44236e-07% change) linmin: converged after 15 iterations. - iteration 1445: trace = 2.412629747581468 (1.06005e-09% change) + iteration 843: trace = 2.451790372599252 (1.4954e-07% change) + linmin: converged after 3 iterations. + iteration 844: trace = 2.451790365297612 (2.97809e-07% change) linmin: converged after 4 iterations. - iteration 1446: trace = 2.412629747567704 (5.70484e-10% change) - linmin: converged after 22 iterations. - iteration 1447: trace = 2.412629747558015 (4.01601e-10% change) + iteration 845: trace = 2.451790356052051 (3.77094e-07% change) linmin: converged after 7 iterations. - iteration 1448: trace = 2.412629747551829 (2.56389e-10% change) - linmin: converged after 6 iterations. - iteration 1449: trace = 2.412629747544262 (3.13634e-10% change) - linmin: converged after 6 iterations. - iteration 1450: trace = 2.412629747539715 (1.88468e-10% change) - large trace change predicted (4.48538e-10%) - linmin: converged after 2 iterations. - iteration 1451: trace = 2.412629747528893 (4.48557e-10% change) - linmin: converged after 4 iterations. - iteration 1452: trace = 2.412629747527517 (5.70428e-11% change) -Finished solving for bands 1 to 10 after 1452 iterations. -tmfreqs:, 2, 0.166667, 0, 0, 0.166667, 0.123306, 0.278292, 0.357366, 0.369461, 0.503797, 0.506642, 0.538217, 0.63557, 0.645595, 0.659431 -elapsed time for k point: 45.196547508239746 -solve_kpoint (0.333333,0,0): -Solving for bands 1 to 10... + iteration 846: trace = 2.451790354029095 (8.25093e-08% change) + large trace change predicted (5.09368e-07%) linmin: converged after 4 iterations. - iteration 1: trace = 2.507714551633548 (1.59188% change) + iteration 847: trace = 2.451790341541162 (5.09339e-07% change) + linmin: converged after 22 iterations. + iteration 848: trace = 2.451790332211657 (3.80518e-07% change) linmin: converged after 4 iterations. - iteration 2: trace = 2.48527977029592 (0.89865% change) + iteration 849: trace = 2.45179032538002 (2.78639e-07% change) + large trace change predicted (6.35348e-07%) linmin: converged after 4 iterations. - iteration 3: trace = 2.473301122559681 (0.483148% change) + iteration 850: trace = 2.451790309805177 (6.35244e-07% change) + linmin: converged after 11 iterations. + iteration 851: trace = 2.451790292794691 (6.93799e-07% change) linmin: converged after 4 iterations. - iteration 4: trace = 2.471539232112235 (0.0712618% change) - large trace change predicted (0.219366%) + iteration 852: trace = 2.45179028819343 (1.87669e-07% change) + large trace change predicted (6.71697e-07%) + linmin: converged after 15 iterations. + iteration 853: trace = 2.451790271725761 (6.71659e-07% change) + linmin: converged after 10 iterations. + iteration 854: trace = 2.451790260804318 (4.45448e-07% change) + linmin: converged after 9 iterations. + iteration 855: trace = 2.451790254847946 (2.4294e-07% change) + large trace change predicted (6.29758e-07%) linmin: converged after 3 iterations. - iteration 5: trace = 2.466060133847849 (0.221934% change) + iteration 856: trace = 2.451790239408401 (6.29725e-07% change) + linmin: converged after 6 iterations. + iteration 857: trace = 2.451790223908179 (6.322e-07% change) linmin: converged after 4 iterations. - iteration 6: trace = 2.464718420203901 (0.054422% change) + iteration 858: trace = 2.451790218774694 (2.09377e-07% change) + linmin: converged after 18 iterations. + iteration 859: trace = 2.451790211139966 (3.11394e-07% change) linmin: converged after 4 iterations. - iteration 7: trace = 2.463636719395522 (0.043897% change) - linmin: converged after 3 iterations. - iteration 8: trace = 2.462594065362243 (0.0423307% change) + iteration 860: trace = 2.451790200239925 (4.44575e-07% change) linmin: converged after 4 iterations. - iteration 9: trace = 2.462287934541995 (0.012432% change) - linmin: converged after 3 iterations. - iteration 10: trace = 2.461753185618692 (0.0217199% change) + iteration 861: trace = 2.451790198288236 (7.96026e-08% change) + large trace change predicted (3.40686e-07%) linmin: converged after 4 iterations. - iteration 11: trace = 2.461485402974851 (0.0108783% change) - linmin: converged after 3 iterations. - iteration 12: trace = 2.461341152138847 (0.00586049% change) - large trace change predicted (0.012983%) + iteration 862: trace = 2.451790189935497 (3.40679e-07% change) + linmin: converged after 6 iterations. + iteration 863: trace = 2.451790186482633 (1.4083e-07% change) + linmin: converged after 2 iterations. + iteration 864: trace = 2.451790182774513 (1.51241e-07% change) linmin: converged after 3 iterations. - iteration 13: trace = 2.461021024881487 (0.0130071% change) + iteration 865: trace = 2.451790179192022 (1.46117e-07% change) + linmin: converged after 2 iterations. + iteration 866: trace = 2.4517901733686 (2.37517e-07% change) linmin: converged after 3 iterations. - iteration 14: trace = 2.460940680168531 (0.00326474% change) - large trace change predicted (0.00700935%) - linmin: converged after 4 iterations. - iteration 15: trace = 2.460768388846517 (0.00700128% change) - linmin: converged after 4 iterations. - iteration 16: trace = 2.46065647507257 (0.00454802% change) + iteration 867: trace = 2.451790171458864 (7.78915e-08% change) + large trace change predicted (2.47149e-07%) linmin: converged after 4 iterations. - iteration 17: trace = 2.460572010614669 (0.00343266% change) + iteration 868: trace = 2.451790165399176 (2.47154e-07% change) linmin: converged after 3 iterations. - iteration 18: trace = 2.460447819716967 (0.00504736% change) - linmin: converged after 4 iterations. - iteration 19: trace = 2.460370644233083 (0.00313669% change) - large trace change predicted (0.00795705%) + iteration 869: trace = 2.451790156488883 (3.6342e-07% change) linmin: converged after 3 iterations. - iteration 20: trace = 2.46017460068774 (0.00796837% change) + iteration 870: trace = 2.451790152996071 (1.4246e-07% change) + large trace change predicted (7.00553e-07%) + linmin: converged after 5 iterations. + iteration 871: trace = 2.451790135817687 (7.00647e-07% change) linmin: converged after 3 iterations. - iteration 21: trace = 2.45992055593473 (0.0103268% change) + iteration 872: trace = 2.451790124246265 (4.71958e-07% change) linmin: converged after 3 iterations. - iteration 22: trace = 2.459713842813738 (0.0084036% change) + iteration 873: trace = 2.451790118937935 (2.16508e-07% change) + large trace change predicted (4.67662e-07%) + linmin: converged after 5 iterations. + iteration 874: trace = 2.451790107471375 (4.67681e-07% change) linmin: converged after 4 iterations. - iteration 23: trace = 2.459366490491965 (0.0141227% change) + iteration 875: trace = 2.451790092919394 (5.93525e-07% change) + linmin: converged after 8 iterations. + iteration 876: trace = 2.451790089597317 (1.35496e-07% change) + large trace change predicted (5.14602e-07%) linmin: converged after 3 iterations. - iteration 24: trace = 2.459092658308015 (0.0111349% change) - linmin: converged after 4 iterations. - iteration 25: trace = 2.458659817174203 (0.0176032% change) - linmin: converged after 4 iterations. - iteration 26: trace = 2.458376746196281 (0.0115139% change) - linmin: converged after 4 iterations. - iteration 27: trace = 2.458263627508388 (0.00460146% change) - large trace change predicted (0.0113346%) - linmin: converged after 4 iterations. - iteration 28: trace = 2.457987269830834 (0.0112426% change) - linmin: converged after 4 iterations. - iteration 29: trace = 2.457775312008254 (0.0086236% change) - linmin: converged after 4 iterations. - iteration 30: trace = 2.457672500730186 (0.00418319% change) - linmin: converged after 4 iterations. - iteration 31: trace = 2.457501693309859 (0.00695021% change) - linmin: converged after 4 iterations. - iteration 32: trace = 2.457365668694102 (0.00553523% change) - linmin: converged after 4 iterations. - iteration 33: trace = 2.457317190344751 (0.0019728% change) - large trace change predicted (0.00496167%) - linmin: converged after 4 iterations. - iteration 34: trace = 2.457195706844922 (0.00494387% change) - linmin: converged after 4 iterations. - iteration 35: trace = 2.45714422432063 (0.0020952% change) + iteration 877: trace = 2.45179007697925 (5.14647e-07% change) + linmin: converged after 25 iterations. + iteration 878: trace = 2.451790068440745 (3.48256e-07% change) + linmin: converged after 2 iterations. + iteration 879: trace = 2.451790065712254 (1.11286e-07% change) + linmin: converged after 19 iterations. + iteration 880: trace = 2.45179006062853 (2.07347e-07% change) + linmin: converged after 2 iterations. + iteration 881: trace = 2.451790055571077 (2.06276e-07% change) linmin: converged after 4 iterations. - iteration 36: trace = 2.45708219454866 (0.0025245% change) - linmin: converged after 3 iterations. - iteration 37: trace = 2.457026720594834 (0.00225774% change) - linmin: converged after 3 iterations. - iteration 38: trace = 2.456984567037049 (0.00171565% change) - linmin: converged after 15 iterations. - iteration 39: trace = 2.456939445048623 (0.0018365% change) - linmin: converged after 3 iterations. - iteration 40: trace = 2.456869640059288 (0.00284118% change) - linmin: converged after 3 iterations. - iteration 41: trace = 2.456833157655992 (0.00148493% change) + iteration 882: trace = 2.451790054467966 (4.4992e-08% change) + linmin: converged after 7 iterations. + iteration 883: trace = 2.451790052688371 (7.25835e-08% change) linmin: converged after 3 iterations. - iteration 42: trace = 2.456763705423465 (0.00282694% change) + iteration 884: trace = 2.451790049898403 (1.13793e-07% change) linmin: converged after 3 iterations. - iteration 43: trace = 2.456634692545203 (0.00525147% change) + iteration 885: trace = 2.45179004717683 (1.11003e-07% change) + linmin: converged after 22 iterations. + iteration 886: trace = 2.451790043218494 (1.61447e-07% change) linmin: converged after 3 iterations. - iteration 44: trace = 2.456572871950935 (0.00251651% change) + iteration 887: trace = 2.451790035703187 (3.06523e-07% change) linmin: converged after 3 iterations. - iteration 45: trace = 2.456461041145713 (0.00455241% change) - large trace change predicted (0.00975498%) - linmin: converged after 4 iterations. - iteration 46: trace = 2.456218757351032 (0.00986361% change) + iteration 888: trace = 2.451790032061202 (1.48544e-07% change) linmin: converged after 4 iterations. - iteration 47: trace = 2.456161867025414 (0.0023162% change) - large trace change predicted (0.0100925%) - linmin: converged after 4 iterations. - iteration 48: trace = 2.455911103666164 (0.0102101% change) - linmin: converged after 3 iterations. - iteration 49: trace = 2.455767110949883 (0.00586328% change) + iteration 889: trace = 2.451790024817564 (2.95443e-07% change) linmin: converged after 3 iterations. - iteration 50: trace = 2.455708319050391 (0.00239406% change) - large trace change predicted (0.00907578%) + iteration 890: trace = 2.451790012268368 (5.11838e-07% change) linmin: converged after 3 iterations. - iteration 51: trace = 2.455484719350746 (0.00910572% change) + iteration 891: trace = 2.451790008744161 (1.4374e-07% change) + large trace change predicted (4.58662e-07%) + linmin: converged after 2 iterations. + iteration 892: trace = 2.451789997498725 (4.58662e-07% change) + linmin: converged after 2 iterations. + iteration 893: trace = 2.451789988445114 (3.69265e-07% change) linmin: converged after 3 iterations. - iteration 52: trace = 2.455407549209439 (0.00314282% change) + iteration 894: trace = 2.451789985557006 (1.17796e-07% change) + linmin: converged after 7 iterations. + iteration 895: trace = 2.451789980515037 (2.05644e-07% change) + linmin: converged after 8 iterations. + iteration 896: trace = 2.45178997588246 (1.88947e-07% change) + linmin: converged after 2 iterations. + iteration 897: trace = 2.451789974336701 (6.30461e-08% change) + linmin: converged after 7 iterations. + iteration 898: trace = 2.451789971685819 (1.0812e-07% change) linmin: converged after 13 iterations. - iteration 53: trace = 2.45534593290585 (0.00250944% change) - large trace change predicted (0.0050887%) - linmin: converged after 3 iterations. - iteration 54: trace = 2.455220696591177 (0.00510069% change) + iteration 899: trace = 2.451789966578975 (2.0829e-07% change) linmin: converged after 4 iterations. - iteration 55: trace = 2.455180284408074 (0.00164598% change) - linmin: converged after 3 iterations. - iteration 56: trace = 2.455132997929369 (0.00192601% change) - linmin: converged after 3 iterations. - iteration 57: trace = 2.455083906425762 (0.00199957% change) - linmin: converged after 3 iterations. - iteration 58: trace = 2.455066887770354 (0.000693203% change) - linmin: converged after 3 iterations. - iteration 59: trace = 2.455040101706986 (0.00109106% change) - linmin: converged after 3 iterations. - iteration 60: trace = 2.455008609947706 (0.00128275% change) - linmin: converged after 4 iterations. - iteration 61: trace = 2.454995317181518 (0.000541456% change) - large trace change predicted (0.00171729%) - linmin: converged after 3 iterations. - iteration 62: trace = 2.454953090393324 (0.00172005% change) - linmin: converged after 3 iterations. - iteration 63: trace = 2.454877422579907 (0.0030823% change) - linmin: converged after 3 iterations. - iteration 64: trace = 2.454855121962825 (0.000908425% change) - large trace change predicted (0.00569416%) - linmin: converged after 4 iterations. - iteration 65: trace = 2.454715532943804 (0.0056864% change) - linmin: converged after 3 iterations. - iteration 66: trace = 2.454625694251667 (0.00365991% change) + iteration 900: trace = 2.451789965394376 (4.83157e-08% change) + large trace change predicted (1.26259e-07%) + linmin: converged after 26 iterations. + iteration 901: trace = 2.451789962298765 (1.26259e-07% change) linmin: converged after 4 iterations. - iteration 67: trace = 2.45457607775767 (0.00202137% change) - large trace change predicted (0.0062662%) + iteration 902: trace = 2.451789959802891 (1.01798e-07% change) linmin: converged after 4 iterations. - iteration 68: trace = 2.454422750902177 (0.00624677% change) + iteration 903: trace = 2.451789958241848 (6.36695e-08% change) linmin: converged after 4 iterations. - iteration 69: trace = 2.454354229883569 (0.00279178% change) - resetting CG direction... + iteration 904: trace = 2.451789956609388 (6.65824e-08% change) + large trace change predicted (1.71987e-07%) linmin: converged after 3 iterations. - iteration 70: trace = 2.454327706739201 (0.00108066% change) - linmin: converged after 5 iterations. - iteration 71: trace = 2.454278091582933 (0.00202156% change) + iteration 905: trace = 2.451789952392592 (1.71988e-07% change) linmin: converged after 3 iterations. - iteration 72: trace = 2.45424373064204 (0.00140005% change) + iteration 906: trace = 2.451789950758605 (6.66447e-08% change) + large trace change predicted (1.50938e-07%) linmin: converged after 4 iterations. - iteration 73: trace = 2.454222970770071 (0.00084588% change) + iteration 907: trace = 2.451789947057897 (1.50939e-07% change) linmin: converged after 4 iterations. - iteration 74: trace = 2.454185533507981 (0.00152543% change) + iteration 908: trace = 2.451789942549774 (1.83871e-07% change) linmin: converged after 4 iterations. - iteration 75: trace = 2.454171305226925 (0.000579757% change) - linmin: converged after 3 iterations. - iteration 76: trace = 2.45415334717542 (0.000731739% change) - linmin: converged after 3 iterations. - iteration 77: trace = 2.45413605986308 (0.000704413% change) - linmin: converged after 3 iterations. - iteration 78: trace = 2.454128426043217 (0.00031106% change) - linmin: converged after 3 iterations. - iteration 79: trace = 2.454117302998195 (0.000453239% change) - linmin: converged after 3 iterations. - iteration 80: trace = 2.454101532760824 (0.000642605% change) - linmin: converged after 3 iterations. - iteration 81: trace = 2.454096037606968 (0.000223917% change) - large trace change predicted (0.000569323%) - linmin: converged after 3 iterations. - iteration 82: trace = 2.454082067399763 (0.000569262% change) - linmin: converged after 3 iterations. - iteration 83: trace = 2.454062987198802 (0.000777491% change) - linmin: converged after 4 iterations. - iteration 84: trace = 2.454051739425085 (0.000458334% change) - linmin: converged after 3 iterations. - iteration 85: trace = 2.454031604529348 (0.000820479% change) - linmin: converged after 17 iterations. - iteration 86: trace = 2.454004746007284 (0.00109447% change) - linmin: converged after 3 iterations. - iteration 87: trace = 2.453991995852274 (0.000519567% change) - large trace change predicted (0.00138546%) + iteration 909: trace = 2.451789940808367 (7.10259e-08% change) + resetting CG direction... linmin: converged after 4 iterations. - iteration 88: trace = 2.453958007958718 (0.00138501% change) - linmin: converged after 7 iterations. - iteration 89: trace = 2.453919475118923 (0.00157024% change) + iteration 910: trace = 2.451789939105132 (6.94691e-08% change) + large trace change predicted (1.69665e-07%) linmin: converged after 4 iterations. - iteration 90: trace = 2.45389509654625 (0.000993459% change) - linmin: converged after 5 iterations. - iteration 91: trace = 2.453860912196914 (0.00139307% change) - linmin: converged after 8 iterations. - iteration 92: trace = 2.453828045147867 (0.00133941% change) - linmin: converged after 3 iterations. - iteration 93: trace = 2.45382085605784 (0.000292975% change) - large trace change predicted (0.00127944%) + iteration 911: trace = 2.45178993494531 (1.69665e-07% change) linmin: converged after 3 iterations. - iteration 94: trace = 2.453789463063369 (0.00127936% change) + iteration 912: trace = 2.451789931847912 (1.26332e-07% change) linmin: converged after 4 iterations. - iteration 95: trace = 2.453782532229236 (0.000282455% change) - large trace change predicted (0.000822373%) + iteration 913: trace = 2.451789930147664 (6.93472e-08% change) + large trace change predicted (1.58252e-07%) + linmin: converged after 2 iterations. + iteration 914: trace = 2.45178992626766 (1.58252e-07% change) + linmin: converged after 6 iterations. + iteration 915: trace = 2.451789924803348 (5.97242e-08% change) linmin: converged after 4 iterations. - iteration 96: trace = 2.453762367988812 (0.000821765% change) + iteration 916: trace = 2.451789923303872 (6.11584e-08% change) + linmin: converged after 13 iterations. + iteration 917: trace = 2.451789920914085 (9.74711e-08% change) linmin: converged after 3 iterations. - iteration 97: trace = 2.453746815140803 (0.000633839% change) + iteration 918: trace = 2.451789919356194 (6.3541e-08% change) linmin: converged after 3 iterations. - iteration 98: trace = 2.453734287686709 (0.000510545% change) + iteration 919: trace = 2.451789916791525 (1.04604e-07% change) linmin: converged after 13 iterations. - iteration 99: trace = 2.453728236162154 (0.000246625% change) - large trace change predicted (0.000526958%) - linmin: converged after 3 iterations. - iteration 100: trace = 2.453715304161855 (0.000527036% change) + iteration 920: trace = 2.451789912243419 (1.85501e-07% change) linmin: converged after 4 iterations. - iteration 101: trace = 2.453709000793436 (0.000256891% change) + iteration 921: trace = 2.451789910592842 (6.73213e-08% change) linmin: converged after 3 iterations. - iteration 102: trace = 2.453701670772158 (0.000298733% change) - large trace change predicted (0.000652204%) + iteration 922: trace = 2.451789908786183 (7.36874e-08% change) + large trace change predicted (1.5184e-07%) linmin: converged after 4 iterations. - iteration 103: trace = 2.453685674496181 (0.000651926% change) - linmin: converged after 3 iterations. - iteration 104: trace = 2.453674834695103 (0.000441777% change) - large trace change predicted (0.000946993%) + iteration 923: trace = 2.451789905063331 (1.51842e-07% change) linmin: converged after 4 iterations. - iteration 105: trace = 2.453651609675684 (0.000946545% change) - large trace change predicted (0.00211292%) - linmin: converged after 3 iterations. - iteration 106: trace = 2.45359960969257 (0.00211931% change) + iteration 924: trace = 2.451789902610415 (1.00046e-07% change) + linmin: converged after 2 iterations. + iteration 925: trace = 2.451789899039314 (1.45653e-07% change) + linmin: converged after 13 iterations. + iteration 926: trace = 2.451789892398573 (2.70853e-07% change) + linmin: converged after 6 iterations. + iteration 927: trace = 2.451789889083249 (1.35221e-07% change) + large trace change predicted (2.81212e-07%) + linmin: converged after 2 iterations. + iteration 928: trace = 2.451789882188494 (2.81213e-07% change) linmin: converged after 5 iterations. - iteration 107: trace = 2.45358312717749 (0.000671771% change) - large trace change predicted (0.00179328%) - linmin: converged after 3 iterations. - iteration 108: trace = 2.453538953603838 (0.00180039% change) - linmin: converged after 3 iterations. - iteration 109: trace = 2.453478212583598 (0.00247568% change) - linmin: converged after 3 iterations. - iteration 110: trace = 2.453465057397219 (0.000536187% change) - large trace change predicted (0.00221868%) - linmin: converged after 4 iterations. - iteration 111: trace = 2.453410536309189 (0.00222223% change) - linmin: converged after 3 iterations. - iteration 112: trace = 2.453386131071423 (0.000994752% change) - linmin: converged after 3 iterations. - iteration 113: trace = 2.453376698178058 (0.000384485% change) - large trace change predicted (0.00113233%) - linmin: converged after 3 iterations. - iteration 114: trace = 2.453348916706636 (0.00113238% change) - linmin: converged after 3 iterations. - iteration 115: trace = 2.453338668721301 (0.000417715% change) + iteration 929: trace = 2.451789872170373 (4.08604e-07% change) linmin: converged after 4 iterations. - iteration 116: trace = 2.45332850971714 (0.00041409% change) - linmin: converged after 3 iterations. - iteration 117: trace = 2.453315900344541 (0.000513971% change) + iteration 930: trace = 2.451789867860605 (1.7578e-07% change) + linmin: converged after 13 iterations. + iteration 931: trace = 2.451789864190764 (1.4968e-07% change) linmin: converged after 5 iterations. - iteration 118: trace = 2.453302028512225 (0.000565434% change) - linmin: converged after 3 iterations. - iteration 119: trace = 2.453296318097463 (0.000232765% change) - large trace change predicted (0.000597339%) - linmin: converged after 3 iterations. - iteration 120: trace = 2.453281660805391 (0.000597455% change) - linmin: converged after 3 iterations. - iteration 121: trace = 2.453275733121448 (0.000241623% change) - linmin: converged after 3 iterations. - iteration 122: trace = 2.453264048572746 (0.000476285% change) - linmin: converged after 3 iterations. - iteration 123: trace = 2.453247330884551 (0.000681449% change) + iteration 932: trace = 2.451789858055204 (2.50248e-07% change) linmin: converged after 4 iterations. - iteration 124: trace = 2.453237120368956 (0.000416205% change) - large trace change predicted (0.00104381%) - linmin: converged after 3 iterations. - iteration 125: trace = 2.453211463999542 (0.00104582% change) - linmin: converged after 3 iterations. - iteration 126: trace = 2.453162178756833 (0.00200903% change) - linmin: converged after 3 iterations. - iteration 127: trace = 2.453138441524889 (0.000967622% change) - large trace change predicted (0.00310521%) - linmin: converged after 3 iterations. - iteration 128: trace = 2.453061970998888 (0.0031173% change) - linmin: converged after 3 iterations. - iteration 129: trace = 2.452970240929354 (0.00373948% change) + iteration 933: trace = 2.45178985632235 (7.06771e-08% change) + large trace change predicted (1.41864e-07%) linmin: converged after 4 iterations. - iteration 130: trace = 2.452952080637691 (0.000740342% change) + iteration 934: trace = 2.45178985284413 (1.41865e-07% change) linmin: converged after 4 iterations. - iteration 131: trace = 2.452919428590261 (0.00133114% change) - linmin: converged after 3 iterations. - iteration 132: trace = 2.45289691913365 (0.000917664% change) - linmin: converged after 3 iterations. - iteration 133: trace = 2.452890157235454 (0.00027567% change) - large trace change predicted (0.00125961%) - linmin: converged after 3 iterations. - iteration 134: trace = 2.452859246188432 (0.0012602% change) - linmin: converged after 3 iterations. - iteration 135: trace = 2.452842821226226 (0.000669627% change) - linmin: converged after 4 iterations. - iteration 136: trace = 2.452828921086942 (0.000566697% change) - linmin: converged after 6 iterations. - iteration 137: trace = 2.452814395156807 (0.000592213% change) - linmin: converged after 11 iterations. - iteration 138: trace = 2.452798068000915 (0.000665652% change) - linmin: converged after 3 iterations. - iteration 139: trace = 2.452783009252627 (0.000613944% change) - resetting CG direction... - linmin: converged after 4 iterations. - iteration 140: trace = 2.452772927790512 (0.000411022% change) - linmin: converged after 3 iterations. - iteration 141: trace = 2.452765649094527 (0.000296754% change) - linmin: converged after 3 iterations. - iteration 142: trace = 2.452757495527033 (0.000332424% change) + iteration 935: trace = 2.451789850701518 (8.73897e-08% change) + linmin: converged after 21 iterations. + iteration 936: trace = 2.451789849509822 (4.86051e-08% change) + linmin: converged after 2 iterations. + iteration 937: trace = 2.451789848607048 (3.6821e-08% change) + large trace change predicted (1.32804e-07%) + linmin: converged after 2 iterations. + iteration 938: trace = 2.451789845350959 (1.32805e-07% change) + linmin: converged after 10 iterations. + iteration 939: trace = 2.451789843093549 (9.20719e-08% change) + linmin: converged after 19 iterations. + iteration 940: trace = 2.451789841595555 (6.10979e-08% change) + large trace change predicted (1.93423e-07%) linmin: converged after 3 iterations. - iteration 143: trace = 2.452750554577612 (0.000282986% change) + iteration 941: trace = 2.451789836853408 (1.93416e-07% change) + linmin: converged after 7 iterations. + iteration 942: trace = 2.45178983029535 (2.6748e-07% change) + linmin: converged after 14 iterations. + iteration 943: trace = 2.451789826611831 (1.50238e-07% change) + linmin: converged after 17 iterations. + iteration 944: trace = 2.451789822136293 (1.82542e-07% change) + linmin: converged after 13 iterations. + iteration 945: trace = 2.451789815575191 (2.67605e-07% change) + linmin: converged after 8 iterations. + iteration 946: trace = 2.451789811209877 (1.78046e-07% change) linmin: converged after 5 iterations. - iteration 144: trace = 2.452740327764536 (0.000416954% change) - linmin: converged after 3 iterations. - iteration 145: trace = 2.452727668231187 (0.00051614% change) + iteration 947: trace = 2.451789805224316 (2.4413e-07% change) linmin: converged after 6 iterations. - iteration 146: trace = 2.452721604178562 (0.000247237% change) - large trace change predicted (0.000693753%) + iteration 948: trace = 2.451789793893855 (4.6213e-07% change) linmin: converged after 3 iterations. - iteration 147: trace = 2.452704589129357 (0.000693724% change) - linmin: converged after 4 iterations. - iteration 148: trace = 2.452684248854568 (0.000829303% change) - linmin: converged after 3 iterations. - iteration 149: trace = 2.45267614319453 (0.000330482% change) - large trace change predicted (0.000964309%) - linmin: converged after 4 iterations. - iteration 150: trace = 2.452652549290144 (0.00096197% change) - linmin: converged after 4 iterations. - iteration 151: trace = 2.452626803415319 (0.00104972% change) - linmin: converged after 3 iterations. - iteration 152: trace = 2.452616705048951 (0.000411738% change) - linmin: converged after 4 iterations. - iteration 153: trace = 2.452596980902835 (0.000804211% change) - linmin: converged after 9 iterations. - iteration 154: trace = 2.452583108816331 (0.00056561% change) - linmin: converged after 20 iterations. - iteration 155: trace = 2.452578304129146 (0.000195903% change) + iteration 949: trace = 2.451789789396813 (1.83419e-07% change) + linmin: converged after 2 iterations. + iteration 950: trace = 2.451789786611421 (1.13606e-07% change) linmin: converged after 4 iterations. - iteration 156: trace = 2.45256876674269 (0.000388873% change) - linmin: converged after 3 iterations. - iteration 157: trace = 2.452560262649758 (0.000346743% change) - linmin: converged after 3 iterations. - iteration 158: trace = 2.452558275638176 (8.10179e-05% change) - large trace change predicted (0.000299932%) + iteration 951: trace = 2.451789783065482 (1.44627e-07% change) linmin: converged after 3 iterations. - iteration 159: trace = 2.452550921985148 (0.000299836% change) - linmin: converged after 3 iterations. - iteration 160: trace = 2.452546610102247 (0.000175812% change) + iteration 952: trace = 2.451789781297459 (7.21116e-08% change) linmin: converged after 4 iterations. - iteration 161: trace = 2.452544820292672 (7.29776e-05% change) - large trace change predicted (0.000200659%) - linmin: converged after 3 iterations. - iteration 162: trace = 2.452539898709751 (0.000200673% change) - linmin: converged after 3 iterations. - iteration 163: trace = 2.452536610230977 (0.000134085% change) - linmin: converged after 3 iterations. - iteration 164: trace = 2.452531722835503 (0.000199279% change) - linmin: converged after 3 iterations. - iteration 165: trace = 2.452526119860102 (0.000228457% change) + iteration 953: trace = 2.451789779371893 (7.85371e-08% change) + linmin: converged after 2 iterations. + iteration 954: trace = 2.451789777738743 (6.66105e-08% change) + linmin: converged after 15 iterations. + iteration 955: trace = 2.451789776493992 (5.07691e-08% change) + linmin: converged after 8 iterations. + iteration 956: trace = 2.451789774641932 (7.55391e-08% change) linmin: converged after 3 iterations. - iteration 166: trace = 2.452518763737087 (0.000299941% change) + iteration 957: trace = 2.451789771191361 (1.40737e-07% change) + linmin: converged after 19 iterations. + iteration 958: trace = 2.451789770388883 (3.27303e-08% change) + large trace change predicted (1.93099e-07%) linmin: converged after 7 iterations. - iteration 167: trace = 2.452513062704793 (0.000232456% change) - large trace change predicted (0.000772359%) - linmin: converged after 3 iterations. - iteration 168: trace = 2.452494092222757 (0.000773515% change) - linmin: converged after 3 iterations. - iteration 169: trace = 2.452489305340419 (0.000195184% change) - large trace change predicted (0.000667115%) - linmin: converged after 3 iterations. - iteration 170: trace = 2.452472924104565 (0.000667945% change) + iteration 959: trace = 2.451789765654333 (1.93106e-07% change) linmin: converged after 3 iterations. - iteration 171: trace = 2.452456769929521 (0.000658691% change) - linmin: converged after 3 iterations. - iteration 172: trace = 2.45245074264355 (0.000245766% change) - large trace change predicted (0.00062741%) - linmin: converged after 3 iterations. - iteration 173: trace = 2.452435341557268 (0.00062799% change) - linmin: converged after 3 iterations. - iteration 174: trace = 2.452422726674879 (0.000514383% change) - linmin: converged after 3 iterations. - iteration 175: trace = 2.452419119529659 (0.000147085% change) - large trace change predicted (0.000389908%) - linmin: converged after 5 iterations. - iteration 176: trace = 2.452409555498929 (0.000389984% change) - linmin: converged after 3 iterations. - iteration 177: trace = 2.452400310371281 (0.000376982% change) + iteration 960: trace = 2.451789762049392 (1.47033e-07% change) + linmin: converged after 15 iterations. + iteration 961: trace = 2.451789759729606 (9.4616e-08% change) + large trace change predicted (2.5431e-07%) + linmin: converged after 19 iterations. + iteration 962: trace = 2.451789753494194 (2.54321e-07% change) + linmin: converged after 12 iterations. + iteration 963: trace = 2.451789747190233 (2.57117e-07% change) + linmin: converged after 25 iterations. + iteration 964: trace = 2.451789745070014 (8.64764e-08% change) + large trace change predicted (2.06884e-07%) + linmin: converged after 18 iterations. + iteration 965: trace = 2.451789739997563 (2.06888e-07% change) + linmin: converged after 10 iterations. + iteration 966: trace = 2.451789733921491 (2.47822e-07% change) linmin: converged after 4 iterations. - iteration 178: trace = 2.452397904127026 (9.8118e-05% change) - large trace change predicted (0.000258068%) + iteration 967: trace = 2.451789732585008 (5.45105e-08% change) + large trace change predicted (2.81994e-07%) + linmin: converged after 2 iterations. + iteration 968: trace = 2.451789725670749 (2.82009e-07% change) + linmin: converged after 30 iterations. + iteration 969: trace = 2.451789719470431 (2.5289e-07% change) + linmin: converged after 18 iterations. + iteration 970: trace = 2.451789716892503 (1.05145e-07% change) linmin: converged after 4 iterations. - iteration 179: trace = 2.452391574551021 (0.000258098% change) - linmin: converged after 3 iterations. - iteration 180: trace = 2.452387378243408 (0.000171111% change) - linmin: converged after 3 iterations. - iteration 181: trace = 2.452386157536499 (4.97763e-05% change) - large trace change predicted (0.000181182%) - linmin: converged after 3 iterations. - iteration 182: trace = 2.452381714103697 (0.000181188% change) - linmin: converged after 3 iterations. - iteration 183: trace = 2.452377832663401 (0.000158272% change) + iteration 971: trace = 2.451789715380827 (6.1656e-08% change) + large trace change predicted (1.39585e-07%) linmin: converged after 2 iterations. - iteration 184: trace = 2.452376974923948 (3.49758e-05% change) - large trace change predicted (0.000153338%) - linmin: converged after 3 iterations. - iteration 185: trace = 2.452373214647471 (0.000153332% change) - linmin: converged after 12 iterations. - iteration 186: trace = 2.452368906581191 (0.000175669% change) - linmin: converged after 5 iterations. - iteration 187: trace = 2.452367047636557 (7.5802e-05% change) - large trace change predicted (0.000415294%) + iteration 972: trace = 2.451789711958421 (1.39588e-07% change) linmin: converged after 4 iterations. - iteration 188: trace = 2.452356864268545 (0.000415247% change) - linmin: converged after 5 iterations. - iteration 189: trace = 2.452348944393626 (0.00032295% change) - linmin: converged after 3 iterations. - iteration 190: trace = 2.452345788864918 (0.000128674% change) - large trace change predicted (0.000553043%) - linmin: converged after 6 iterations. - iteration 191: trace = 2.45233223540891 (0.000552675% change) - linmin: converged after 3 iterations. - iteration 192: trace = 2.452324837424832 (0.000301672% change) - linmin: converged after 3 iterations. - iteration 193: trace = 2.452318319053605 (0.000265804% change) - linmin: converged after 3 iterations. - iteration 194: trace = 2.45231070137328 (0.000310632% change) - linmin: converged after 3 iterations. - iteration 195: trace = 2.452305458110806 (0.000213809% change) - linmin: converged after 3 iterations. - iteration 196: trace = 2.452300587509159 (0.000198613% change) - linmin: converged after 3 iterations. - iteration 197: trace = 2.452294091542742 (0.000264893% change) + iteration 973: trace = 2.451789710463632 (6.09673e-08% change) + linmin: converged after 16 iterations. + iteration 974: trace = 2.45178970828155 (8.89996e-08% change) + linmin: converged after 8 iterations. + iteration 975: trace = 2.451789705455788 (1.15253e-07% change) linmin: converged after 4 iterations. - iteration 198: trace = 2.452292912070035 (4.80967e-05% change) - large trace change predicted (0.000207507%) - linmin: converged after 3 iterations. - iteration 199: trace = 2.452287823960394 (0.000207484% change) + iteration 976: trace = 2.45178970376002 (6.91645e-08% change) + linmin: converged after 10 iterations. + iteration 977: trace = 2.451789701154536 (1.06269e-07% change) + large trace change predicted (2.84343e-07%) + linmin: converged after 27 iterations. + iteration 978: trace = 2.451789694183107 (2.8434e-07% change) + large trace change predicted (6.55498e-07%) linmin: converged after 3 iterations. - iteration 200: trace = 2.452285260995919 (0.000104513% change) + iteration 979: trace = 2.451789678111093 (6.55522e-07% change) + resetting CG direction... + linmin: converged after 8 iterations. + iteration 980: trace = 2.451789667038867 (4.51598e-07% change) linmin: converged after 4 iterations. - iteration 201: trace = 2.4522837884962 (6.0046e-05% change) - linmin: converged after 3 iterations. - iteration 202: trace = 2.452281464401078 (9.47727e-05% change) - linmin: converged after 3 iterations. - iteration 203: trace = 2.45227843727108 (0.000123441% change) - linmin: converged after 3 iterations. - iteration 204: trace = 2.452277298708132 (4.64288e-05% change) - large trace change predicted (0.000105064%) + iteration 981: trace = 2.451789663291862 (1.52827e-07% change) linmin: converged after 3 iterations. - iteration 205: trace = 2.452274721714739 (0.000105086% change) + iteration 982: trace = 2.451789660279509 (1.22863e-07% change) + linmin: converged after 4 iterations. + iteration 983: trace = 2.451789658714674 (6.38242e-08% change) + linmin: converged after 13 iterations. + iteration 984: trace = 2.451789655611615 (1.26563e-07% change) linmin: converged after 3 iterations. - iteration 206: trace = 2.452269795239167 (0.000200894% change) + iteration 985: trace = 2.451789652482321 (1.27633e-07% change) linmin: converged after 4 iterations. - iteration 207: trace = 2.452267937130898 (7.5771e-05% change) - large trace change predicted (0.000293161%) + iteration 986: trace = 2.451789650680217 (7.35016e-08% change) + large trace change predicted (1.61019e-07%) + linmin: converged after 8 iterations. + iteration 987: trace = 2.451789646732412 (1.61017e-07% change) + linmin: converged after 14 iterations. + iteration 988: trace = 2.451789645761563 (3.95976e-08% change) linmin: converged after 3 iterations. - iteration 208: trace = 2.45226074358603 (0.000293343% change) + iteration 989: trace = 2.451789644432989 (5.4188e-08% change) linmin: converged after 3 iterations. - iteration 209: trace = 2.452249802005526 (0.000446184% change) - resetting CG direction... + iteration 990: trace = 2.451789641880019 (1.04127e-07% change) linmin: converged after 4 iterations. - iteration 210: trace = 2.452245457700151 (0.000177156% change) + iteration 991: trace = 2.451789640503512 (5.61429e-08% change) linmin: converged after 3 iterations. - iteration 211: trace = 2.452238289401174 (0.000292316% change) + iteration 992: trace = 2.451789638729676 (7.23486e-08% change) linmin: converged after 4 iterations. - iteration 212: trace = 2.452234390465577 (0.000158995% change) - linmin: converged after 3 iterations. - iteration 213: trace = 2.452232924507626 (5.97805e-05% change) - large trace change predicted (0.000175069%) + iteration 993: trace = 2.451789635286838 (1.40421e-07% change) linmin: converged after 4 iterations. - iteration 214: trace = 2.45222863148775 (0.000175066% change) + iteration 994: trace = 2.45178963408342 (4.90832e-08% change) + large trace change predicted (1.52162e-07%) linmin: converged after 5 iterations. - iteration 215: trace = 2.452226721219942 (7.78993e-05% change) - linmin: converged after 4 iterations. - iteration 216: trace = 2.45222534804256 (5.59972e-05% change) + iteration 995: trace = 2.451789630352947 (1.52153e-07% change) linmin: converged after 9 iterations. - iteration 217: trace = 2.452222868519007 (0.000101113% change) - linmin: converged after 3 iterations. - iteration 218: trace = 2.452220762859493 (8.58674e-05% change) - linmin: converged after 7 iterations. - iteration 219: trace = 2.452219636720598 (4.59232e-05% change) + iteration 996: trace = 2.451789625438453 (2.00445e-07% change) linmin: converged after 4 iterations. - iteration 220: trace = 2.452217637205398 (8.1539e-05% change) + iteration 997: trace = 2.451789623545346 (7.72133e-08% change) + large trace change predicted (1.89153e-07%) linmin: converged after 3 iterations. - iteration 221: trace = 2.452214951097599 (0.000109538% change) - linmin: converged after 3 iterations. - iteration 222: trace = 2.452213930282483 (4.16283e-05% change) - large trace change predicted (0.000173197%) - linmin: converged after 3 iterations. - iteration 223: trace = 2.452209680537733 (0.000173303% change) + iteration 998: trace = 2.451789618907969 (1.89143e-07% change) + linmin: converged after 5 iterations. + iteration 999: trace = 2.451789615683603 (1.31511e-07% change) + linmin: converged after 5 iterations. + iteration 1000: trace = 2.451789613630592 (8.37352e-08% change) linmin: converged after 4 iterations. - iteration 224: trace = 2.452207756844769 (7.84474e-05% change) - large trace change predicted (0.000170329%) + iteration 1001: trace = 2.451789612297614 (5.43676e-08% change) linmin: converged after 4 iterations. - iteration 225: trace = 2.452203577183352 (0.000170445% change) - linmin: converged after 3 iterations. - iteration 226: trace = 2.452199205407226 (0.00017828% change) - linmin: converged after 14 iterations. - iteration 227: trace = 2.452195167792297 (0.000164653% change) - linmin: converged after 3 iterations. - iteration 228: trace = 2.45219226877402 (0.000118221% change) - large trace change predicted (0.000333656%) - linmin: converged after 5 iterations. - iteration 229: trace = 2.452184081873663 (0.000333861% change) + iteration 1002: trace = 2.451789610470268 (7.45311e-08% change) + linmin: converged after 19 iterations. + iteration 1003: trace = 2.451789609865792 (2.46545e-08% change) linmin: converged after 4 iterations. - iteration 230: trace = 2.452181174446548 (0.000118565% change) - linmin: converged after 3 iterations. - iteration 231: trace = 2.45217666841967 (0.000183756% change) - linmin: converged after 13 iterations. - iteration 232: trace = 2.452169564390597 (0.000289703% change) - linmin: converged after 3 iterations. - iteration 233: trace = 2.452168023595653 (6.2834e-05% change) - large trace change predicted (0.000128892%) - linmin: converged after 3 iterations. - iteration 234: trace = 2.452164861203628 (0.000128963% change) - linmin: converged after 3 iterations. - iteration 235: trace = 2.452162710524145 (8.77054e-05% change) - linmin: converged after 13 iterations. - iteration 236: trace = 2.452161604180763 (4.51171e-05% change) - large trace change predicted (9.08194e-05%) - linmin: converged after 3 iterations. - iteration 237: trace = 2.452159376422024 (9.08488e-05% change) - linmin: converged after 3 iterations. - iteration 238: trace = 2.452156221407155 (0.000128663% change) + iteration 1004: trace = 2.451789608979276 (3.61579e-08% change) + linmin: converged after 8 iterations. + iteration 1005: trace = 2.45178960755318 (5.81655e-08% change) linmin: converged after 4 iterations. - iteration 239: trace = 2.452155384533807 (3.41281e-05% change) - large trace change predicted (9.34824e-05%) - linmin: converged after 3 iterations. - iteration 240: trace = 2.452153091713957 (9.35023e-05% change) - linmin: converged after 7 iterations. - iteration 241: trace = 2.452150426821385 (0.000108676% change) - linmin: converged after 3 iterations. - iteration 242: trace = 2.452149526342722 (3.6722e-05% change) - large trace change predicted (0.000149021%) + iteration 1006: trace = 2.451789606732986 (3.34528e-08% change) linmin: converged after 3 iterations. - iteration 243: trace = 2.452145872560898 (0.000149003% change) + iteration 1007: trace = 2.451789605590924 (4.65808e-08% change) linmin: converged after 5 iterations. - iteration 244: trace = 2.45214298620249 (0.000117708% change) + iteration 1008: trace = 2.451789604218741 (5.59666e-08% change) linmin: converged after 4 iterations. - iteration 245: trace = 2.452141482734362 (6.13124e-05% change) - large trace change predicted (0.00022647%) + iteration 1009: trace = 2.451789603445731 (3.15284e-08% change) + large trace change predicted (7.40055e-08%) + linmin: converged after 8 iterations. + iteration 1010: trace = 2.451789601631229 (7.40072e-08% change) linmin: converged after 5 iterations. - iteration 246: trace = 2.452135931910722 (0.000226367% change) - linmin: converged after 4 iterations. - iteration 247: trace = 2.452127131915843 (0.000358871% change) - linmin: converged after 3 iterations. - iteration 248: trace = 2.452124408591246 (0.00011106% change) - large trace change predicted (0.000415328%) - linmin: converged after 6 iterations. - iteration 249: trace = 2.452114234002913 (0.00041493% change) - linmin: converged after 3 iterations. - iteration 250: trace = 2.452107914802179 (0.000257705% change) - linmin: converged after 6 iterations. - iteration 251: trace = 2.452104602178825 (0.000135093% change) + iteration 1011: trace = 2.451789598969889 (1.08547e-07% change) linmin: converged after 3 iterations. - iteration 252: trace = 2.452098395005796 (0.000253137% change) - linmin: converged after 3 iterations. - iteration 253: trace = 2.45209443064365 (0.000161672% change) - linmin: converged after 3 iterations. - iteration 254: trace = 2.452092772278772 (6.76306e-05% change) + iteration 1012: trace = 2.451789597107009 (7.59804e-08% change) linmin: converged after 4 iterations. - iteration 255: trace = 2.452090136890444 (0.000107475% change) - linmin: converged after 3 iterations. - iteration 256: trace = 2.452088641061405 (6.10022e-05% change) - linmin: converged after 3 iterations. - iteration 257: trace = 2.452087588706631 (4.29167e-05% change) - large trace change predicted (8.8259e-05%) + iteration 1013: trace = 2.451789595962338 (4.66871e-08% change) + large trace change predicted (1.5234e-07%) + linmin: converged after 20 iterations. + iteration 1014: trace = 2.45178959222714 (1.52346e-07% change) + linmin: converged after 8 iterations. + iteration 1015: trace = 2.451789589639612 (1.05536e-07% change) + linmin: converged after 16 iterations. + iteration 1016: trace = 2.451789587055814 (1.05384e-07% change) + linmin: converged after 7 iterations. + iteration 1017: trace = 2.451789582729455 (1.76457e-07% change) + linmin: converged after 16 iterations. + iteration 1018: trace = 2.451789580771681 (7.98508e-08% change) linmin: converged after 3 iterations. - iteration 258: trace = 2.452085424452013 (8.82618e-05% change) - linmin: converged after 10 iterations. - iteration 259: trace = 2.452084439140825 (4.01826e-05% change) + iteration 1019: trace = 2.451789579883696 (3.62178e-08% change) linmin: converged after 4 iterations. - iteration 260: trace = 2.452083425783212 (4.13264e-05% change) - large trace change predicted (0.000113263%) - linmin: converged after 3 iterations. - iteration 261: trace = 2.452080648183233 (0.000113275% change) + iteration 1020: trace = 2.451789578509247 (5.6059e-08% change) linmin: converged after 3 iterations. - iteration 262: trace = 2.4520794724905 (4.79468e-05% change) - large trace change predicted (0.000152164%) - linmin: converged after 3 iterations. - iteration 263: trace = 2.452075740472779 (0.000152198% change) + iteration 1021: trace = 2.451789577677992 (3.3904e-08% change) linmin: converged after 4 iterations. - iteration 264: trace = 2.45207119873577 (0.00018522% change) + iteration 1022: trace = 2.451789577182099 (2.02258e-08% change) + linmin: converged after 6 iterations. + iteration 1023: trace = 2.451789576559101 (2.54099e-08% change) linmin: converged after 4 iterations. - iteration 265: trace = 2.452068341076811 (0.000116541% change) + iteration 1024: trace = 2.451789575865887 (2.82738e-08% change) linmin: converged after 4 iterations. - iteration 266: trace = 2.452065201190418 (0.000128051% change) - large trace change predicted (0.00034389%) - linmin: converged after 3 iterations. - iteration 267: trace = 2.452056759774224 (0.000344258% change) - linmin: converged after 3 iterations. - iteration 268: trace = 2.452053194509233 (0.000145399% change) + iteration 1025: trace = 2.451789575293525 (2.33447e-08% change) + large trace change predicted (6.34397e-08%) + linmin: converged after 12 iterations. + iteration 1026: trace = 2.45178957373812 (6.34396e-08% change) linmin: converged after 4 iterations. - iteration 269: trace = 2.452047723607067 (0.000223115% change) - linmin: converged after 5 iterations. - iteration 270: trace = 2.452038853922894 (0.000361726% change) - linmin: converged after 13 iterations. - iteration 271: trace = 2.4520373990617 (5.93327e-05% change) - large trace change predicted (0.000248269%) - linmin: converged after 3 iterations. - iteration 272: trace = 2.452031304744767 (0.000248541% change) + iteration 1027: trace = 2.451789572646178 (4.45365e-08% change) linmin: converged after 4 iterations. - iteration 273: trace = 2.452027971885439 (0.000135922% change) - linmin: converged after 3 iterations. - iteration 274: trace = 2.45202680788906 (4.74708e-05% change) - linmin: converged after 3 iterations. - iteration 275: trace = 2.452024540324916 (9.24772e-05% change) - linmin: converged after 3 iterations. - iteration 276: trace = 2.45202209499959 (9.97268e-05% change) - linmin: converged after 3 iterations. - iteration 277: trace = 2.452021538766743 (2.26847e-05% change) - large trace change predicted (0.000116655%) + iteration 1028: trace = 2.451789571907022 (3.01476e-08% change) + linmin: converged after 8 iterations. + iteration 1029: trace = 2.451789570583518 (5.39811e-08% change) linmin: converged after 4 iterations. - iteration 278: trace = 2.452018677919659 (0.000116673% change) - linmin: converged after 3 iterations. - iteration 279: trace = 2.452014190357183 (0.000183015% change) - resetting CG direction... - linmin: converged after 3 iterations. - iteration 280: trace = 2.45201075481463 (0.000140111% change) - linmin: converged after 2 iterations. - iteration 281: trace = 2.452008901592415 (7.55797e-05% change) - linmin: converged after 3 iterations. - iteration 282: trace = 2.452007292555813 (6.56212e-05% change) - linmin: converged after 5 iterations. - iteration 283: trace = 2.452006558444449 (2.99392e-05% change) - large trace change predicted (9.44662e-05%) - linmin: converged after 3 iterations. - iteration 284: trace = 2.452004242936367 (9.44332e-05% change) - linmin: converged after 3 iterations. - iteration 285: trace = 2.452003286760036 (3.89957e-05% change) - large trace change predicted (7.91395e-05%) - linmin: converged after 3 iterations. - iteration 286: trace = 2.452001347150246 (7.91031e-05% change) - large trace change predicted (0.000166942%) + iteration 1030: trace = 2.45178956857216 (8.20363e-08% change) linmin: converged after 4 iterations. - iteration 287: trace = 2.451997258366128 (0.000166753% change) - linmin: converged after 3 iterations. - iteration 288: trace = 2.451995532160505 (7.04e-05% change) - large trace change predicted (0.000147482%) + iteration 1031: trace = 2.451789568001439 (2.32778e-08% change) + large trace change predicted (9.0889e-08%) linmin: converged after 4 iterations. - iteration 289: trace = 2.451991921852341 (0.00014724% change) - linmin: converged after 3 iterations. - iteration 290: trace = 2.451986673104741 (0.000214061% change) - linmin: converged after 27 iterations. - iteration 291: trace = 2.451984254947535 (9.86204e-05% change) - linmin: converged after 3 iterations. - iteration 292: trace = 2.4519805314833 (0.000151855% change) + iteration 1032: trace = 2.451789565773026 (9.08892e-08% change) + linmin: converged after 2 iterations. + iteration 1033: trace = 2.451789563514549 (9.21155e-08% change) linmin: converged after 4 iterations. - iteration 293: trace = 2.45197502893073 (0.000224413% change) + iteration 1034: trace = 2.451789562596555 (3.74418e-08% change) + large trace change predicted (9.70484e-08%) linmin: converged after 4 iterations. - iteration 294: trace = 2.451974197928204 (3.38912e-05% change) - large trace change predicted (0.000134969%) - linmin: converged after 3 iterations. - iteration 295: trace = 2.451970890075463 (0.000134906% change) + iteration 1035: trace = 2.451789560217169 (9.70469e-08% change) linmin: converged after 4 iterations. - iteration 296: trace = 2.451969462637186 (5.8216e-05% change) + iteration 1036: trace = 2.4517895584674 (7.1367e-08% change) linmin: converged after 4 iterations. - iteration 297: trace = 2.451968793048388 (2.73082e-05% change) - large trace change predicted (7.04748e-05%) - linmin: converged after 3 iterations. - iteration 298: trace = 2.451967065141929 (7.04702e-05% change) - linmin: converged after 3 iterations. - iteration 299: trace = 2.451965799783021 (5.16059e-05% change) + iteration 1037: trace = 2.451789557674592 (3.23359e-08% change) linmin: converged after 4 iterations. - iteration 300: trace = 2.451965354926958 (1.81428e-05% change) - large trace change predicted (4.14451e-05%) + iteration 1038: trace = 2.451789556367374 (5.33169e-08% change) + linmin: converged after 7 iterations. + iteration 1039: trace = 2.451789555080247 (5.24975e-08% change) + linmin: converged after 21 iterations. + iteration 1040: trace = 2.451789554905637 (7.12174e-09% change) + large trace change predicted (2.83665e-08%) + linmin: converged after 3 iterations. + iteration 1041: trace = 2.451789554210153 (2.83664e-08% change) linmin: converged after 4 iterations. - iteration 301: trace = 2.451964338537992 (4.1452e-05% change) + iteration 1042: trace = 2.451789553800405 (1.67122e-08% change) + linmin: converged after 18 iterations. + iteration 1043: trace = 2.451789553620134 (7.35264e-09% change) + large trace change predicted (2.23432e-08%) + linmin: converged after 2 iterations. + iteration 1044: trace = 2.451789553072327 (2.23431e-08% change) + large trace change predicted (4.95758e-08%) linmin: converged after 4 iterations. - iteration 302: trace = 2.451963626062085 (2.90574e-05% change) - linmin: converged after 3 iterations. - iteration 303: trace = 2.45196286090635 (3.12058e-05% change) - large trace change predicted (7.04866e-05%) - linmin: converged after 3 iterations. - iteration 304: trace = 2.451961132076766 (7.0508e-05% change) + iteration 1045: trace = 2.451789551856827 (4.9576e-08% change) + linmin: converged after 11 iterations. + iteration 1046: trace = 2.451789551390983 (1.90001e-08% change) + large trace change predicted (4.26949e-08%) + linmin: converged after 6 iterations. + iteration 1047: trace = 2.45178955034419 (4.26951e-08% change) linmin: converged after 4 iterations. - iteration 305: trace = 2.451960060694344 (4.36949e-05% change) + iteration 1048: trace = 2.451789549417347 (3.78027e-08% change) linmin: converged after 5 iterations. - iteration 306: trace = 2.45195929368572 (3.12815e-05% change) - large trace change predicted (0.000111025%) - linmin: converged after 3 iterations. - iteration 307: trace = 2.451956570051481 (0.00011108% change) - linmin: converged after 3 iterations. - iteration 308: trace = 2.451953818305342 (0.000112227% change) - linmin: converged after 3 iterations. - iteration 309: trace = 2.451951653626621 (8.82839e-05% change) - large trace change predicted (0.000184665%) - linmin: converged after 4 iterations. - iteration 310: trace = 2.451947121582508 (0.000184834% change) - linmin: converged after 3 iterations. - iteration 311: trace = 2.451945166011394 (7.97559e-05% change) - linmin: converged after 3 iterations. - iteration 312: trace = 2.451942435218912 (0.000111373% change) - linmin: converged after 3 iterations. - iteration 313: trace = 2.451939405208457 (0.000123576% change) - linmin: converged after 3 iterations. - iteration 314: trace = 2.451938634410761 (3.14363e-05% change) - large trace change predicted (7.13993e-05%) - linmin: converged after 3 iterations. - iteration 315: trace = 2.451936883520887 (7.14084e-05% change) + iteration 1049: trace = 2.45178954904108 (1.53466e-08% change) + resetting CG direction... + linmin: converged after 9 iterations. + iteration 1050: trace = 2.451789548706679 (1.36391e-08% change) + large trace change predicted (2.86821e-08%) linmin: converged after 3 iterations. - iteration 316: trace = 2.451935333125655 (6.32315e-05% change) + iteration 1051: trace = 2.45178954800346 (2.86819e-08% change) linmin: converged after 3 iterations. - iteration 317: trace = 2.451934772183667 (2.28775e-05% change) - large trace change predicted (5.68182e-05%) - linmin: converged after 4 iterations. - iteration 318: trace = 2.45193337891416 (5.68233e-05% change) - linmin: converged after 4 iterations. - iteration 319: trace = 2.451932197398721 (4.81871e-05% change) + iteration 1052: trace = 2.451789547326002 (2.76311e-08% change) linmin: converged after 3 iterations. - iteration 320: trace = 2.451931697025995 (2.04073e-05% change) - linmin: converged after 4 iterations. - iteration 321: trace = 2.451931013561718 (2.78745e-05% change) - linmin: converged after 3 iterations. - iteration 322: trace = 2.451930073490786 (3.834e-05% change) + iteration 1053: trace = 2.451789546975501 (1.42957e-08% change) + large trace change predicted (4.31482e-08%) + linmin: converged after 2 iterations. + iteration 1054: trace = 2.451789545917599 (4.31482e-08% change) linmin: converged after 4 iterations. - iteration 323: trace = 2.4519298008317 (1.11202e-05% change) - large trace change predicted (4.21488e-05%) + iteration 1055: trace = 2.451789545451988 (1.89906e-08% change) linmin: converged after 3 iterations. - iteration 324: trace = 2.451928767419563 (4.21469e-05% change) + iteration 1056: trace = 2.451789545207745 (9.96186e-09% change) + large trace change predicted (2.71692e-08%) + linmin: converged after 28 iterations. + iteration 1057: trace = 2.451789544541616 (2.71691e-08% change) linmin: converged after 4 iterations. - iteration 325: trace = 2.451927902052323 (3.52933e-05% change) - linmin: converged after 3 iterations. - iteration 326: trace = 2.451927460932055 (1.79908e-05% change) - large trace change predicted (5.36764e-05%) + iteration 1058: trace = 2.451789543983097 (2.27801e-08% change) linmin: converged after 4 iterations. - iteration 327: trace = 2.451926145023389 (5.36684e-05% change) + iteration 1059: trace = 2.451789543457217 (2.14488e-08% change) linmin: converged after 4 iterations. - iteration 328: trace = 2.451924454118065 (6.89624e-05% change) + iteration 1060: trace = 2.451789542796477 (2.69493e-08% change) linmin: converged after 4 iterations. - iteration 329: trace = 2.45192343736788 (4.14674e-05% change) - large trace change predicted (8.71433e-05%) - linmin: converged after 3 iterations. - iteration 330: trace = 2.45192130196901 (8.70908e-05% change) - linmin: converged after 5 iterations. - iteration 331: trace = 2.451918670153966 (0.000107337% change) + iteration 1061: trace = 2.45178954204144 (3.07953e-08% change) linmin: converged after 4 iterations. - iteration 332: trace = 2.45191779130337 (3.58434e-05% change) - large trace change predicted (9.23841e-05%) - linmin: converged after 3 iterations. - iteration 333: trace = 2.451915526678028 (9.23614e-05% change) - linmin: converged after 3 iterations. - iteration 334: trace = 2.451914426183707 (4.48831e-05% change) - linmin: converged after 3 iterations. - iteration 335: trace = 2.451913409272041 (4.14742e-05% change) - linmin: converged after 3 iterations. - iteration 336: trace = 2.451912256784357 (4.70036e-05% change) + iteration 1062: trace = 2.451789541749268 (1.19167e-08% change) + large trace change predicted (4.61864e-08%) linmin: converged after 4 iterations. - iteration 337: trace = 2.451911186131378 (4.3666e-05% change) + iteration 1063: trace = 2.45178954061687 (4.61866e-08% change) linmin: converged after 2 iterations. - iteration 338: trace = 2.451910850466922 (1.36899e-05% change) - large trace change predicted (3.93869e-05%) + iteration 1064: trace = 2.451789540116101 (2.04246e-08% change) + large trace change predicted (4.54833e-08%) linmin: converged after 4 iterations. - iteration 339: trace = 2.451909884741904 (3.93866e-05% change) + iteration 1065: trace = 2.451789539000941 (4.54835e-08% change) linmin: converged after 3 iterations. - iteration 340: trace = 2.45190963707967 (1.01008e-05% change) + iteration 1066: trace = 2.451789537354798 (6.71405e-08% change) + linmin: converged after 4 iterations. + iteration 1067: trace = 2.45178953642167 (3.8059e-08% change) + linmin: converged after 16 iterations. + iteration 1068: trace = 2.451789535011394 (5.75203e-08% change) + linmin: converged after 13 iterations. + iteration 1069: trace = 2.451789532658631 (9.5961e-08% change) linmin: converged after 3 iterations. - iteration 341: trace = 2.451909148391919 (1.99309e-05% change) + iteration 1070: trace = 2.451789531301225 (5.53639e-08% change) linmin: converged after 3 iterations. - iteration 342: trace = 2.45190827063069 (3.57991e-05% change) + iteration 1071: trace = 2.451789530621185 (2.77364e-08% change) + large trace change predicted (6.97799e-08%) linmin: converged after 7 iterations. - iteration 343: trace = 2.451908059504865 (8.61067e-06% change) - large trace change predicted (2.6893e-05%) - linmin: converged after 3 iterations. - iteration 344: trace = 2.451907399998265 (2.68977e-05% change) - linmin: converged after 3 iterations. - iteration 345: trace = 2.451906785418745 (2.50654e-05% change) - linmin: converged after 2 iterations. - iteration 346: trace = 2.451906437789964 (1.41779e-05% change) - large trace change predicted (5.58343e-05%) - linmin: converged after 3 iterations. - iteration 347: trace = 2.451905068455477 (5.58478e-05% change) - linmin: converged after 3 iterations. - iteration 348: trace = 2.451903121715061 (7.93971e-05% change) - linmin: converged after 3 iterations. - iteration 349: trace = 2.451902337095938 (3.20004e-05% change) - resetting CG direction... - linmin: converged after 3 iterations. - iteration 350: trace = 2.451901626083527 (2.89984e-05% change) - large trace change predicted (6.42866e-05%) - linmin: converged after 3 iterations. - iteration 351: trace = 2.451900049769866 (6.42895e-05% change) - linmin: converged after 2 iterations. - iteration 352: trace = 2.451899136573584 (3.72444e-05% change) - linmin: converged after 3 iterations. - iteration 353: trace = 2.451898736850383 (1.63026e-05% change) - linmin: converged after 2 iterations. - iteration 354: trace = 2.451897946694063 (3.22263e-05% change) - linmin: converged after 3 iterations. - iteration 355: trace = 2.45189747184642 (1.93665e-05% change) - linmin: converged after 3 iterations. - iteration 356: trace = 2.451897220646099 (1.02451e-05% change) - large trace change predicted (2.44861e-05%) - linmin: converged after 3 iterations. - iteration 357: trace = 2.451896620201119 (2.4489e-05% change) - linmin: converged after 3 iterations. - iteration 358: trace = 2.451896058080836 (2.29259e-05% change) - linmin: converged after 3 iterations. - iteration 359: trace = 2.451895837264319 (9.00595e-06% change) - large trace change predicted (2.84087e-05%) - linmin: converged after 3 iterations. - iteration 360: trace = 2.451895140561287 (2.84149e-05% change) + iteration 1072: trace = 2.45178952891031 (6.97807e-08% change) linmin: converged after 4 iterations. - iteration 361: trace = 2.45189474102638 (1.62949e-05% change) - linmin: converged after 2 iterations. - iteration 362: trace = 2.451894419082622 (1.31304e-05% change) - large trace change predicted (3.94816e-05%) - linmin: converged after 5 iterations. - iteration 363: trace = 2.451893450703638 (3.94951e-05% change) + iteration 1073: trace = 2.451789528604023 (1.24924e-08% change) + large trace change predicted (2.79337e-08%) + linmin: converged after 4 iterations. + iteration 1074: trace = 2.451789527919147 (2.79337e-08% change) + linmin: converged after 17 iterations. + iteration 1075: trace = 2.451789527457989 (1.8809e-08% change) linmin: converged after 4 iterations. - iteration 364: trace = 2.451892570126811 (3.59142e-05% change) + iteration 1076: trace = 2.451789526903124 (2.2631e-08% change) linmin: converged after 4 iterations. - iteration 365: trace = 2.45189181747914 (3.06966e-05% change) - large trace change predicted (6.43709e-05%) - linmin: converged after 3 iterations. - iteration 366: trace = 2.451890238485002 (6.4399e-05% change) - linmin: converged after 3 iterations. - iteration 367: trace = 2.451889616372384 (2.53728e-05% change) - linmin: converged after 3 iterations. - iteration 368: trace = 2.45188877755701 (3.4211e-05% change) - large trace change predicted (8.5513e-05%) + iteration 1077: trace = 2.451789526786035 (4.77564e-09% change) + large trace change predicted (3.50331e-08%) linmin: converged after 4 iterations. - iteration 369: trace = 2.451886679515175 (8.55684e-05% change) - linmin: converged after 3 iterations. - iteration 370: trace = 2.451885786404943 (3.64254e-05% change) - linmin: converged after 3 iterations. - iteration 371: trace = 2.451884655995135 (4.61037e-05% change) + iteration 1078: trace = 2.451789525927099 (3.5033e-08% change) linmin: converged after 4 iterations. - iteration 372: trace = 2.451883546120951 (4.52662e-05% change) - linmin: converged after 2 iterations. - iteration 373: trace = 2.451883232411078 (1.27946e-05% change) - large trace change predicted (3.61962e-05%) + iteration 1079: trace = 2.451789525364823 (2.29333e-08% change) linmin: converged after 4 iterations. - iteration 374: trace = 2.451882344780096 (3.6202e-05% change) - linmin: converged after 2 iterations. - iteration 375: trace = 2.451881779695219 (2.3047e-05% change) + iteration 1080: trace = 2.451789524733739 (2.57397e-08% change) + large trace change predicted (5.5667e-08%) linmin: converged after 4 iterations. - iteration 376: trace = 2.451881401859591 (1.541e-05% change) - linmin: converged after 3 iterations. - iteration 377: trace = 2.451881173998864 (9.2933e-06% change) - large trace change predicted (3.17815e-05%) - linmin: converged after 5 iterations. - iteration 378: trace = 2.451880394664437 (3.17852e-05% change) - linmin: converged after 2 iterations. - iteration 379: trace = 2.45187989190943 (2.05049e-05% change) - linmin: converged after 3 iterations. - iteration 380: trace = 2.451879518512381 (1.5229e-05% change) - linmin: converged after 3 iterations. - iteration 381: trace = 2.45187880705943 (2.90166e-05% change) - linmin: converged after 3 iterations. - iteration 382: trace = 2.451878318476758 (1.99269e-05% change) - linmin: converged after 3 iterations. - iteration 383: trace = 2.451877773854073 (2.22125e-05% change) + iteration 1081: trace = 2.451789523368942 (5.56653e-08% change) linmin: converged after 4 iterations. - iteration 384: trace = 2.451876824144952 (3.8734e-05% change) - linmin: converged after 3 iterations. - iteration 385: trace = 2.451876293493401 (2.16427e-05% change) + iteration 1082: trace = 2.451789521785304 (6.45911e-08% change) + linmin: converged after 6 iterations. + iteration 1083: trace = 2.451789520727098 (4.31606e-08% change) + linmin: converged after 16 iterations. + iteration 1084: trace = 2.451789520153944 (2.3377e-08% change) + large trace change predicted (8.1778e-08%) + linmin: converged after 20 iterations. + iteration 1085: trace = 2.451789518148979 (8.17756e-08% change) linmin: converged after 8 iterations. - iteration 386: trace = 2.451875369938492 (3.76673e-05% change) - large trace change predicted (7.75821e-05%) - linmin: converged after 5 iterations. - iteration 387: trace = 2.451873468799276 (7.75382e-05% change) + iteration 1086: trace = 2.451789516367865 (7.26455e-08% change) linmin: converged after 3 iterations. - iteration 388: trace = 2.451872590224089 (3.58328e-05% change) - large trace change predicted (9.50571e-05%) - linmin: converged after 4 iterations. - iteration 389: trace = 2.4518702615096 (9.4977e-05% change) + iteration 1087: trace = 2.451789515474171 (3.64507e-08% change) + large trace change predicted (9.60417e-08%) linmin: converged after 5 iterations. - iteration 390: trace = 2.451868461088069 (7.34306e-05% change) - linmin: converged after 5 iterations. - iteration 391: trace = 2.451867700627981 (3.10155e-05% change) - linmin: converged after 3 iterations. - iteration 392: trace = 2.451866708220177 (4.04756e-05% change) - linmin: converged after 3 iterations. - iteration 393: trace = 2.451865652586429 (4.30543e-05% change) - linmin: converged after 2 iterations. - iteration 394: trace = 2.451865445386099 (8.45072e-06% change) - large trace change predicted (2.50549e-05%) - linmin: converged after 3 iterations. - iteration 395: trace = 2.451864831127395 (2.50527e-05% change) + iteration 1088: trace = 2.451789513119526 (9.60378e-08% change) linmin: converged after 4 iterations. - iteration 396: trace = 2.451864349760831 (1.96327e-05% change) - linmin: converged after 26 iterations. - iteration 397: trace = 2.451864235719919 (4.65119e-06% change) - large trace change predicted (2.47964e-05%) + iteration 1089: trace = 2.45178951229047 (3.38143e-08% change) linmin: converged after 4 iterations. - iteration 398: trace = 2.451863627785021 (2.47948e-05% change) + iteration 1090: trace = 2.451789511489058 (3.26868e-08% change) linmin: converged after 3 iterations. - iteration 399: trace = 2.451863327607461 (1.22428e-05% change) + iteration 1091: trace = 2.451789510529454 (3.91389e-08% change) + linmin: converged after 29 iterations. + iteration 1092: trace = 2.451789510136948 (1.6009e-08% change) linmin: converged after 3 iterations. - iteration 400: trace = 2.451862913876871 (1.68741e-05% change) + iteration 1093: trace = 2.451789509682495 (1.85356e-08% change) linmin: converged after 4 iterations. - iteration 401: trace = 2.451862423737383 (1.99905e-05% change) + iteration 1094: trace = 2.451789509259802 (1.72402e-08% change) linmin: converged after 4 iterations. - iteration 402: trace = 2.451862008156571 (1.69496e-05% change) - linmin: converged after 3 iterations. - iteration 403: trace = 2.451861297761305 (2.89737e-05% change) - large trace change predicted (6.03586e-05%) - linmin: converged after 3 iterations. - iteration 404: trace = 2.451859816778514 (6.04024e-05% change) - linmin: converged after 5 iterations. - iteration 405: trace = 2.451858559069839 (5.12961e-05% change) - linmin: converged after 3 iterations. - iteration 406: trace = 2.451857891199748 (2.72393e-05% change) - large trace change predicted (6.38229e-05%) - linmin: converged after 3 iterations. - iteration 407: trace = 2.45185632544231 (6.38601e-05% change) + iteration 1095: trace = 2.451789509074364 (7.56339e-09% change) + large trace change predicted (2.48175e-08%) linmin: converged after 4 iterations. - iteration 408: trace = 2.451854711796361 (6.58133e-05% change) - linmin: converged after 3 iterations. - iteration 409: trace = 2.45185402817143 (2.7882e-05% change) - large trace change predicted (6.46259e-05%) + iteration 1096: trace = 2.451789508465887 (2.48176e-08% change) + linmin: converged after 5 iterations. + iteration 1097: trace = 2.451789507734581 (2.98274e-08% change) linmin: converged after 3 iterations. - iteration 410: trace = 2.451852442859669 (6.46577e-05% change) + iteration 1098: trace = 2.451789507425416 (1.26098e-08% change) + large trace change predicted (2.64565e-08%) linmin: converged after 4 iterations. - iteration 411: trace = 2.451851775392176 (2.7223e-05% change) + iteration 1099: trace = 2.451789506776753 (2.64567e-08% change) + large trace change predicted (5.79722e-08%) + linmin: converged after 14 iterations. + iteration 1100: trace = 2.45178950535535 (5.79741e-08% change) linmin: converged after 4 iterations. - iteration 412: trace = 2.451851127465782 (2.6426e-05% change) - linmin: converged after 3 iterations. - iteration 413: trace = 2.451850087175804 (4.24288e-05% change) + iteration 1101: trace = 2.451789504834676 (2.12365e-08% change) + large trace change predicted (7.69107e-08%) linmin: converged after 9 iterations. - iteration 414: trace = 2.451849911033916 (7.18404e-06% change) - large trace change predicted (2.51613e-05%) + iteration 1102: trace = 2.451789502948907 (7.6914e-08% change) linmin: converged after 4 iterations. - iteration 415: trace = 2.451849293949703 (2.51681e-05% change) - linmin: converged after 3 iterations. - iteration 416: trace = 2.451848943707893 (1.42848e-05% change) - linmin: converged after 2 iterations. - iteration 417: trace = 2.451848710098085 (9.5279e-06% change) - large trace change predicted (2.10239e-05%) - linmin: converged after 3 iterations. - iteration 418: trace = 2.45184819456945 (2.10261e-05% change) - large trace change predicted (0.000188518%) - linmin: converged after 3 iterations. - iteration 419: trace = 2.451843571620683 (0.00018855% change) - resetting CG direction... + iteration 1103: trace = 2.451789501403479 (6.30327e-08% change) linmin: converged after 4 iterations. - iteration 420: trace = 2.451841487273947 (8.50114e-05% change) + iteration 1104: trace = 2.45178950085983 (2.21736e-08% change) + large trace change predicted (5.41848e-08%) linmin: converged after 4 iterations. - iteration 421: trace = 2.451839976121697 (6.16334e-05% change) - linmin: converged after 3 iterations. - iteration 422: trace = 2.451839314114376 (2.70004e-05% change) - linmin: converged after 4 iterations. - iteration 423: trace = 2.451839054914111 (1.05717e-05% change) - linmin: converged after 3 iterations. - iteration 424: trace = 2.451838742425517 (1.27451e-05% change) + iteration 1105: trace = 2.451789499531311 (5.41857e-08% change) linmin: converged after 7 iterations. - iteration 425: trace = 2.451838400153158 (1.39598e-05% change) - linmin: converged after 3 iterations. - iteration 426: trace = 2.451838201057432 (8.12026e-06% change) - large trace change predicted (2.04897e-05%) - linmin: converged after 3 iterations. - iteration 427: trace = 2.451837698796881 (2.04851e-05% change) - linmin: converged after 3 iterations. - iteration 428: trace = 2.451837481919144 (8.84552e-06% change) - large trace change predicted (3.05073e-05%) - linmin: converged after 4 iterations. - iteration 429: trace = 2.451836734163764 (3.04978e-05% change) - linmin: converged after 4 iterations. - iteration 430: trace = 2.451835936235739 (3.25441e-05% change) - linmin: converged after 3 iterations. - iteration 431: trace = 2.451835185942234 (3.06013e-05% change) + iteration 1106: trace = 2.45178949822486 (5.32856e-08% change) + linmin: converged after 7 iterations. + iteration 1107: trace = 2.451789497821409 (1.64554e-08% change) + large trace change predicted (4.51039e-08%) + linmin: converged after 6 iterations. + iteration 1108: trace = 2.451789496715548 (4.51043e-08% change) + linmin: converged after 10 iterations. + iteration 1109: trace = 2.451789495282112 (5.84649e-08% change) linmin: converged after 4 iterations. - iteration 432: trace = 2.451834525078679 (2.69538e-05% change) - large trace change predicted (5.9575e-05%) - linmin: converged after 3 iterations. - iteration 433: trace = 2.451833065357541 (5.95359e-05% change) - linmin: converged after 8 iterations. - iteration 434: trace = 2.451832734050241 (1.35126e-05% change) - linmin: converged after 3 iterations. - iteration 435: trace = 2.451832149791729 (2.38295e-05% change) + iteration 1110: trace = 2.451789494346878 (3.8145e-08% change) + linmin: converged after 6 iterations. + iteration 1111: trace = 2.45178949412559 (9.0256e-09% change) + large trace change predicted (4.02998e-08%) linmin: converged after 4 iterations. - iteration 436: trace = 2.451831313054189 (3.4127e-05% change) - linmin: converged after 3 iterations. - iteration 437: trace = 2.451831144753733 (6.86428e-06% change) - large trace change predicted (1.89495e-05%) + iteration 1112: trace = 2.451789493137509 (4.03004e-08% change) linmin: converged after 4 iterations. - iteration 438: trace = 2.451830680221672 (1.89463e-05% change) - linmin: converged after 3 iterations. - iteration 439: trace = 2.451830279374053 (1.63489e-05% change) + iteration 1113: trace = 2.451789492841852 (1.20588e-08% change) + linmin: converged after 13 iterations. + iteration 1114: trace = 2.451789492305505 (2.18757e-08% change) linmin: converged after 4 iterations. - iteration 440: trace = 2.451829954213735 (1.32619e-05% change) + iteration 1115: trace = 2.451789491717654 (2.39764e-08% change) linmin: converged after 4 iterations. - iteration 441: trace = 2.451829747917543 (8.41397e-06% change) - linmin: converged after 8 iterations. - iteration 442: trace = 2.45182942913199 (1.30019e-05% change) + iteration 1116: trace = 2.451789491310835 (1.65927e-08% change) + large trace change predicted (4.36545e-08%) linmin: converged after 2 iterations. - iteration 443: trace = 2.451829344579854 (3.44853e-06% change) - large trace change predicted (1.20307e-05%) + iteration 1117: trace = 2.451789490240512 (4.36548e-08% change) + linmin: converged after 4 iterations. + iteration 1118: trace = 2.451789488242676 (8.14848e-08% change) + large trace change predicted (2.58873e-07%) linmin: converged after 6 iterations. - iteration 444: trace = 2.451829049585355 (1.20316e-05% change) + iteration 1119: trace = 2.451789481895506 (2.58879e-07% change) + resetting CG direction... + linmin: converged after 3 iterations. + iteration 1120: trace = 2.451789479540593 (9.60488e-08% change) linmin: converged after 4 iterations. - iteration 445: trace = 2.45182882275353 (9.25154e-06% change) + iteration 1121: trace = 2.451789477445211 (8.54634e-08% change) linmin: converged after 2 iterations. - iteration 446: trace = 2.451828710478946 (4.57922e-06% change) - large trace change predicted (1.8046e-05%) + iteration 1122: trace = 2.451789476827438 (2.51968e-08% change) + linmin: converged after 3 iterations. + iteration 1123: trace = 2.451789476259933 (2.31466e-08% change) + large trace change predicted (7.30144e-08%) linmin: converged after 4 iterations. - iteration 447: trace = 2.451828267951997 (1.80489e-05% change) + iteration 1124: trace = 2.451789474469799 (7.30134e-08% change) + linmin: converged after 6 iterations. + iteration 1125: trace = 2.451789474069745 (1.63168e-08% change) linmin: converged after 4 iterations. - iteration 448: trace = 2.451827859086309 (1.6676e-05% change) - linmin: converged after 2 iterations. - iteration 449: trace = 2.451827704537776 (6.3034e-06% change) - large trace change predicted (2.59966e-05%) + iteration 1126: trace = 2.451789473506308 (2.29806e-08% change) linmin: converged after 4 iterations. - iteration 450: trace = 2.451827067038046 (2.6001e-05% change) + iteration 1127: trace = 2.451789472624401 (3.59699e-08% change) + linmin: converged after 10 iterations. + iteration 1128: trace = 2.451789472206462 (1.70463e-08% change) linmin: converged after 4 iterations. - iteration 451: trace = 2.451826123510454 (3.84826e-05% change) - linmin: converged after 3 iterations. - iteration 452: trace = 2.451825857654383 (1.08432e-05% change) - large trace change predicted (4.34736e-05%) + iteration 1129: trace = 2.451789471871001 (1.36823e-08% change) + linmin: converged after 5 iterations. + iteration 1130: trace = 2.451789471493572 (1.5394e-08% change) + linmin: converged after 18 iterations. + iteration 1131: trace = 2.451789471354592 (5.66847e-09% change) + large trace change predicted (1.24929e-08%) linmin: converged after 4 iterations. - iteration 453: trace = 2.45182479109769 (4.35005e-05% change) + iteration 1132: trace = 2.451789471048294 (1.24928e-08% change) + large trace change predicted (3.38401e-08%) + linmin: converged after 6 iterations. + iteration 1133: trace = 2.451789470218614 (3.38398e-08% change) + linmin: converged after 2 iterations. + iteration 1134: trace = 2.451789470007584 (8.6072e-09% change) + large trace change predicted (5.34188e-08%) + linmin: converged after 8 iterations. + iteration 1135: trace = 2.451789468697905 (5.34173e-08% change) + linmin: converged after 5 iterations. + iteration 1136: trace = 2.451789467881113 (3.33141e-08% change) + linmin: converged after 5 iterations. + iteration 1137: trace = 2.451789467591458 (1.1814e-08% change) + large trace change predicted (4.67656e-08%) linmin: converged after 4 iterations. - iteration 454: trace = 2.45182429282768 (2.03224e-05% change) - linmin: converged after 3 iterations. - iteration 455: trace = 2.451824028134613 (1.07958e-05% change) + iteration 1138: trace = 2.451789466444898 (4.67642e-08% change) linmin: converged after 4 iterations. - iteration 456: trace = 2.451823712849073 (1.28592e-05% change) + iteration 1139: trace = 2.451789465600888 (3.44242e-08% change) linmin: converged after 4 iterations. - iteration 457: trace = 2.451823254502712 (1.86941e-05% change) - linmin: converged after 3 iterations. - iteration 458: trace = 2.451823062649151 (7.82493e-06% change) - large trace change predicted (1.64623e-05%) - linmin: converged after 3 iterations. - iteration 459: trace = 2.451822658887967 (1.64678e-05% change) - linmin: converged after 2 iterations. - iteration 460: trace = 2.451822526439577 (5.40204e-06% change) + iteration 1140: trace = 2.451789465185529 (1.69411e-08% change) + linmin: converged after 25 iterations. + iteration 1141: trace = 2.451789464945767 (9.77906e-09% change) + large trace change predicted (2.85828e-08%) + linmin: converged after 9 iterations. + iteration 1142: trace = 2.451789464244983 (2.85825e-08% change) linmin: converged after 4 iterations. - iteration 461: trace = 2.451822336459144 (7.74854e-06% change) + iteration 1143: trace = 2.45178946414668 (4.00943e-09% change) + large trace change predicted (1.64169e-08%) linmin: converged after 4 iterations. - iteration 462: trace = 2.451822084284924 (1.02852e-05% change) - linmin: converged after 3 iterations. - iteration 463: trace = 2.451822011646269 (2.96264e-06% change) - linmin: converged after 3 iterations. - iteration 464: trace = 2.451821904237058 (4.38079e-06% change) - linmin: converged after 2 iterations. - iteration 465: trace = 2.451821699544684 (8.34858e-06% change) + iteration 1144: trace = 2.451789463744173 (1.64169e-08% change) + linmin: converged after 17 iterations. + iteration 1145: trace = 2.451789463442028 (1.23234e-08% change) + linmin: converged after 5 iterations. + iteration 1146: trace = 2.451789463320958 (4.93802e-09% change) linmin: converged after 3 iterations. - iteration 466: trace = 2.451821547178686 (6.2144e-06% change) + iteration 1147: trace = 2.451789463095631 (9.19034e-09% change) + linmin: converged after 4 iterations. + iteration 1148: trace = 2.45178946275266 (1.39886e-08% change) + linmin: converged after 26 iterations. + iteration 1149: trace = 2.451789462471549 (1.14655e-08% change) + linmin: converged after 17 iterations. + iteration 1150: trace = 2.451789462300752 (6.96622e-09% change) linmin: converged after 6 iterations. - iteration 467: trace = 2.451821376475728 (6.96229e-06% change) - linmin: converged after 3 iterations. - iteration 468: trace = 2.451821040671764 (1.36961e-05% change) - linmin: converged after 3 iterations. - iteration 469: trace = 2.45182080693343 (9.53325e-06% change) + iteration 1151: trace = 2.451789462027946 (1.11268e-08% change) + large trace change predicted (2.79135e-08%) + linmin: converged after 7 iterations. + iteration 1152: trace = 2.451789461343555 (2.79139e-08% change) + linmin: converged after 7 iterations. + iteration 1153: trace = 2.451789461139214 (8.33438e-09% change) + large trace change predicted (4.03045e-08%) linmin: converged after 4 iterations. - iteration 470: trace = 2.4518205215002 (1.16417e-05% change) - large trace change predicted (2.63546e-05%) - linmin: converged after 3 iterations. - iteration 471: trace = 2.45181987548071 (2.63486e-05% change) - linmin: converged after 3 iterations. - iteration 472: trace = 2.451819408860605 (1.90316e-05% change) + iteration 1154: trace = 2.451789460151012 (4.03053e-08% change) linmin: converged after 4 iterations. - iteration 473: trace = 2.451819126855167 (1.15019e-05% change) - linmin: converged after 3 iterations. - iteration 474: trace = 2.451818658754745 (1.9092e-05% change) - linmin: converged after 5 iterations. - iteration 475: trace = 2.451818394563479 (1.07753e-05% change) + iteration 1155: trace = 2.451789459343208 (3.29475e-08% change) linmin: converged after 18 iterations. - iteration 476: trace = 2.451818116179429 (1.13542e-05% change) - linmin: converged after 3 iterations. - iteration 477: trace = 2.451817781654802 (1.36439e-05% change) - linmin: converged after 2 iterations. - iteration 478: trace = 2.451817681110296 (4.10081e-06% change) - linmin: converged after 2 iterations. - iteration 479: trace = 2.451817552578524 (5.24231e-06% change) - linmin: converged after 19 iterations. - iteration 480: trace = 2.451817332535152 (8.9747e-06% change) + iteration 1156: trace = 2.451789458999848 (1.40044e-08% change) + large trace change predicted (3.36457e-08%) linmin: converged after 3 iterations. - iteration 481: trace = 2.451817297043988 (1.44755e-06% change) - large trace change predicted (8.02481e-06%) - linmin: converged after 2 iterations. - iteration 482: trace = 2.451817100288909 (8.02487e-06% change) - linmin: converged after 7 iterations. - iteration 483: trace = 2.451816974162871 (5.14419e-06% change) - linmin: converged after 4 iterations. - iteration 484: trace = 2.451816925474987 (1.98579e-06% change) - large trace change predicted (5.20292e-06%) - linmin: converged after 2 iterations. - iteration 485: trace = 2.45181679790735 (5.20298e-06% change) - linmin: converged after 2 iterations. - iteration 486: trace = 2.451816582759446 (8.77504e-06% change) + iteration 1157: trace = 2.451789458174911 (3.36463e-08% change) linmin: converged after 3 iterations. - iteration 487: trace = 2.451816497251044 (3.48755e-06% change) - large trace change predicted (9.35672e-06%) + iteration 1158: trace = 2.451789457524037 (2.65469e-08% change) + linmin: converged after 17 iterations. + iteration 1159: trace = 2.451789457371922 (6.20425e-09% change) + linmin: converged after 36 iterations. + iteration 1160: trace = 2.451789457069079 (1.23519e-08% change) + linmin: converged after 18 iterations. + iteration 1161: trace = 2.451789456771037 (1.21561e-08% change) linmin: converged after 18 iterations. - iteration 488: trace = 2.451816267845393 (9.35656e-06% change) + iteration 1162: trace = 2.451789456688866 (3.35148e-09% change) + large trace change predicted (8.5838e-09%) linmin: converged after 3 iterations. - iteration 489: trace = 2.451815875725539 (1.5993e-05% change) - resetting CG direction... - linmin: converged after 4 iterations. - iteration 490: trace = 2.451815757819901 (4.80891e-06% change) - large trace change predicted (1.10512e-05%) + iteration 1163: trace = 2.45178945647841 (8.58376e-09% change) linmin: converged after 2 iterations. - iteration 491: trace = 2.451815486861406 (1.10513e-05% change) - linmin: converged after 3 iterations. - iteration 492: trace = 2.451815280756068 (8.40623e-06% change) - linmin: converged after 3 iterations. - iteration 493: trace = 2.451815194923169 (3.50079e-06% change) - large trace change predicted (7.35121e-06%) + iteration 1164: trace = 2.451789456232103 (1.0046e-08% change) linmin: converged after 7 iterations. - iteration 494: trace = 2.451815014697793 (7.35069e-06% change) - linmin: converged after 2 iterations. - iteration 495: trace = 2.451814894361656 (4.90804e-06% change) + iteration 1165: trace = 2.451789456147174 (3.46394e-09% change) + large trace change predicted (1.01383e-08%) linmin: converged after 3 iterations. - iteration 496: trace = 2.451814850871355 (1.7738e-06% change) - large trace change predicted (4.50328e-06%) - linmin: converged after 2 iterations. - iteration 497: trace = 2.45181474045643 (4.5034e-06% change) - linmin: converged after 2 iterations. - iteration 498: trace = 2.451814610526366 (5.29934e-06% change) - linmin: converged after 3 iterations. - iteration 499: trace = 2.451814567841736 (1.74094e-06% change) - large trace change predicted (6.83787e-06%) - linmin: converged after 3 iterations. - iteration 500: trace = 2.451814400186214 (6.83802e-06% change) - linmin: converged after 3 iterations. - iteration 501: trace = 2.451814272915252 (5.19089e-06% change) - linmin: converged after 2 iterations. - iteration 502: trace = 2.45181419266202 (3.27322e-06% change) - large trace change predicted (8.56711e-06%) - linmin: converged after 24 iterations. - iteration 503: trace = 2.45181398260356 (8.56747e-06% change) - linmin: converged after 4 iterations. - iteration 504: trace = 2.451813704811319 (1.13301e-05% change) - linmin: converged after 4 iterations. - iteration 505: trace = 2.451813596654659 (4.41129e-06% change) - large trace change predicted (1.8288e-05%) - linmin: converged after 3 iterations. - iteration 506: trace = 2.451813148189388 (1.82912e-05% change) + iteration 1166: trace = 2.451789455898605 (1.01383e-08% change) linmin: converged after 22 iterations. - iteration 507: trace = 2.451812965690427 (7.44343e-06% change) - linmin: converged after 2 iterations. - iteration 508: trace = 2.451812761950807 (8.30975e-06% change) - large trace change predicted (2.09791e-05%) - linmin: converged after 3 iterations. - iteration 509: trace = 2.451812247462067 (2.0984e-05% change) - linmin: converged after 3 iterations. - iteration 510: trace = 2.451811966755929 (1.14489e-05% change) - linmin: converged after 3 iterations. - iteration 511: trace = 2.451811851242338 (4.71136e-06% change) - large trace change predicted (1.00995e-05%) + iteration 1167: trace = 2.451789455669001 (9.36475e-09% change) + linmin: converged after 16 iterations. + iteration 1168: trace = 2.451789455568501 (4.09907e-09% change) + large trace change predicted (9.19154e-09%) + linmin: converged after 6 iterations. + iteration 1169: trace = 2.451789455343147 (9.19143e-09% change) linmin: converged after 3 iterations. - iteration 512: trace = 2.451811603602493 (1.01003e-05% change) - linmin: converged after 5 iterations. - iteration 513: trace = 2.451811507357846 (3.92545e-06% change) - linmin: converged after 20 iterations. - iteration 514: trace = 2.451811334433819 (7.05291e-06% change) + iteration 1170: trace = 2.451789455011926 (1.35093e-08% change) linmin: converged after 4 iterations. - iteration 515: trace = 2.451811191640094 (5.82401e-06% change) - linmin: converged after 3 iterations. - iteration 516: trace = 2.451811130732174 (2.4842e-06% change) - linmin: converged after 2 iterations. - iteration 517: trace = 2.451811047301646 (3.40281e-06% change) - linmin: converged after 2 iterations. - iteration 518: trace = 2.451810891815008 (6.34171e-06% change) - linmin: converged after 2 iterations. - iteration 519: trace = 2.451810816631979 (3.06643e-06% change) - linmin: converged after 3 iterations. - iteration 520: trace = 2.451810695082755 (4.95753e-06% change) - linmin: converged after 3 iterations. - iteration 521: trace = 2.45181049319669 (8.23416e-06% change) - linmin: converged after 3 iterations. - iteration 522: trace = 2.451810268505231 (9.16431e-06% change) - linmin: converged after 2 iterations. - iteration 523: trace = 2.45181019367532 (3.05203e-06% change) - large trace change predicted (8.52331e-06%) - linmin: converged after 3 iterations. - iteration 524: trace = 2.451809984726808 (8.52221e-06% change) - linmin: converged after 3 iterations. - iteration 525: trace = 2.451809780364004 (8.33518e-06% change) - linmin: converged after 5 iterations. - iteration 526: trace = 2.451809671650246 (4.43402e-06% change) - large trace change predicted (2.12798e-05%) - linmin: converged after 3 iterations. - iteration 527: trace = 2.451809150137006 (2.12705e-05% change) - linmin: converged after 5 iterations. - iteration 528: trace = 2.45180874197214 (1.66475e-05% change) - linmin: converged after 3 iterations. - iteration 529: trace = 2.451808417499351 (1.3234e-05% change) - linmin: converged after 3 iterations. - iteration 530: trace = 2.451808030250102 (1.57944e-05% change) - linmin: converged after 3 iterations. - iteration 531: trace = 2.451807807831868 (9.0716e-06% change) - linmin: converged after 3 iterations. - iteration 532: trace = 2.451807742759107 (2.65407e-06% change) - large trace change predicted (9.27794e-06%) - linmin: converged after 3 iterations. - iteration 533: trace = 2.451807515300582 (9.27718e-06% change) + iteration 1171: trace = 2.451789454811443 (8.17703e-09% change) + large trace change predicted (1.97617e-08%) linmin: converged after 6 iterations. - iteration 534: trace = 2.451807415467064 (4.07183e-06% change) + iteration 1172: trace = 2.451789454326926 (1.97617e-08% change) linmin: converged after 5 iterations. - iteration 535: trace = 2.451807346960127 (2.79414e-06% change) - large trace change predicted (5.71938e-06%) - linmin: converged after 4 iterations. - iteration 536: trace = 2.451807206736129 (5.71921e-06% change) - linmin: converged after 12 iterations. - iteration 537: trace = 2.451807086805041 (4.89154e-06% change) - linmin: converged after 8 iterations. - iteration 538: trace = 2.451807031148672 (2.27001e-06% change) - large trace change predicted (7.12219e-06%) - linmin: converged after 3 iterations. - iteration 539: trace = 2.451806856509571 (7.12287e-06% change) - linmin: converged after 3 iterations. - iteration 540: trace = 2.451806796843032 (2.43357e-06% change) - large trace change predicted (6.7709e-06%) + iteration 1173: trace = 2.451789453659612 (2.72174e-08% change) + linmin: converged after 13 iterations. + iteration 1174: trace = 2.45178945346215 (8.05379e-09% change) + large trace change predicted (2.14038e-08%) + linmin: converged after 2 iterations. + iteration 1175: trace = 2.451789452937375 (2.14038e-08% change) linmin: converged after 4 iterations. - iteration 541: trace = 2.451806630809242 (6.7719e-06% change) + iteration 1176: trace = 2.451789452336383 (2.45124e-08% change) linmin: converged after 5 iterations. - iteration 542: trace = 2.451806452505993 (7.27232e-06% change) + iteration 1177: trace = 2.451789451983306 (1.44008e-08% change) linmin: converged after 16 iterations. - iteration 543: trace = 2.451806368758432 (3.41575e-06% change) - large trace change predicted (1.23699e-05%) - linmin: converged after 3 iterations. - iteration 544: trace = 2.451806065324214 (1.23759e-05% change) - linmin: converged after 3 iterations. - iteration 545: trace = 2.451805739861479 (1.32744e-05% change) - linmin: converged after 5 iterations. - iteration 546: trace = 2.451805601881059 (5.62771e-06% change) - large trace change predicted (1.68905e-05%) - linmin: converged after 3 iterations. - iteration 547: trace = 2.451805187663824 (1.68944e-05% change) - linmin: converged after 3 iterations. - iteration 548: trace = 2.451804745230315 (1.80452e-05% change) - linmin: converged after 3 iterations. - iteration 549: trace = 2.451804599592704 (5.94002e-06% change) - linmin: converged after 3 iterations. - iteration 550: trace = 2.451804373046908 (9.23996e-06% change) - linmin: converged after 3 iterations. - iteration 551: trace = 2.451804158093567 (8.76715e-06% change) - linmin: converged after 2 iterations. - iteration 552: trace = 2.451804068334619 (3.66093e-06% change) - linmin: converged after 3 iterations. - iteration 553: trace = 2.451803927634026 (5.73866e-06% change) - linmin: converged after 3 iterations. - iteration 554: trace = 2.451803805504083 (4.98123e-06% change) + iteration 1178: trace = 2.451789451873055 (4.49675e-09% change) + linmin: converged after 28 iterations. + iteration 1179: trace = 2.451789451734056 (5.66929e-09% change) linmin: converged after 3 iterations. - iteration 555: trace = 2.451803760167925 (1.84909e-06% change) - large trace change predicted (3.96563e-06%) + iteration 1180: trace = 2.451789451541848 (7.8395e-09% change) + linmin: converged after 6 iterations. + iteration 1181: trace = 2.451789451509867 (1.3044e-09% change) + large trace change predicted (8.33051e-09%) linmin: converged after 4 iterations. - iteration 556: trace = 2.451803662939658 (3.96558e-06% change) - linmin: converged after 3 iterations. - iteration 557: trace = 2.451803472511807 (7.76685e-06% change) - linmin: converged after 3 iterations. - iteration 558: trace = 2.451803406365509 (2.69786e-06% change) - large trace change predicted (3.46964e-05%) + iteration 1182: trace = 2.451789451305622 (8.33045e-09% change) + linmin: converged after 5 iterations. + iteration 1183: trace = 2.451789451195182 (4.50445e-09% change) + linmin: converged after 18 iterations. + iteration 1184: trace = 2.451789451140995 (2.2101e-09% change) + large trace change predicted (1.03039e-08%) + linmin: converged after 8 iterations. + iteration 1185: trace = 2.451789450888363 (1.0304e-08% change) linmin: converged after 3 iterations. - iteration 559: trace = 2.451802555696506 (3.46957e-05% change) - resetting CG direction... - linmin: converged after 2 iterations. - iteration 560: trace = 2.451801982548152 (2.33766e-05% change) + iteration 1186: trace = 2.45178945075472 (5.45087e-09% change) linmin: converged after 4 iterations. - iteration 561: trace = 2.451801906952554 (3.08327e-06% change) - large trace change predicted (8.84622e-06%) + iteration 1187: trace = 2.451789450676868 (3.17528e-09% change) + large trace change predicted (7.81581e-09%) linmin: converged after 8 iterations. - iteration 562: trace = 2.451801690096094 (8.84478e-06% change) - linmin: converged after 3 iterations. - iteration 563: trace = 2.451801613985753 (3.10426e-06% change) - linmin: converged after 3 iterations. - iteration 564: trace = 2.451801571639047 (1.72717e-06% change) - large trace change predicted (5.19395e-06%) - linmin: converged after 3 iterations. - iteration 565: trace = 2.451801444315304 (5.19307e-06% change) + iteration 1188: trace = 2.451789450485238 (7.81595e-09% change) + linmin: converged after 8 iterations. + iteration 1189: trace = 2.451789450137429 (1.41859e-08% change) + resetting CG direction... linmin: converged after 23 iterations. - iteration 566: trace = 2.451801359505677 (3.45907e-06% change) - linmin: converged after 2 iterations. - iteration 567: trace = 2.451801310782897 (1.98722e-06% change) - large trace change predicted (8.99797e-06%) - linmin: converged after 3 iterations. - iteration 568: trace = 2.451801090196141 (8.99693e-06% change) - linmin: converged after 3 iterations. - iteration 569: trace = 2.451801002373334 (3.58197e-06% change) - linmin: converged after 3 iterations. - iteration 570: trace = 2.451800895528208 (4.35782e-06% change) - large trace change predicted (9.24043e-06%) - linmin: converged after 3 iterations. - iteration 571: trace = 2.451800669005973 (9.23901e-06% change) - linmin: converged after 3 iterations. - iteration 572: trace = 2.451800475143845 (7.90693e-06% change) - linmin: converged after 2 iterations. - iteration 573: trace = 2.451800397611408 (3.16227e-06% change) - linmin: converged after 3 iterations. - iteration 574: trace = 2.451800250724628 (5.99098e-06% change) - linmin: converged after 3 iterations. - iteration 575: trace = 2.451800097856249 (6.23494e-06% change) - linmin: converged after 4 iterations. - iteration 576: trace = 2.451799981080339 (4.76286e-06% change) - linmin: converged after 4 iterations. - iteration 577: trace = 2.451799778162104 (8.2763e-06% change) - linmin: converged after 3 iterations. - iteration 578: trace = 2.451799650819622 (5.19384e-06% change) - linmin: converged after 2 iterations. - iteration 579: trace = 2.45179958082181 (2.85496e-06% change) - large trace change predicted (7.39521e-06%) - linmin: converged after 16 iterations. - iteration 580: trace = 2.451799399541025 (7.39379e-06% change) - linmin: converged after 2 iterations. - iteration 581: trace = 2.451799337883764 (2.51478e-06% change) - linmin: converged after 4 iterations. - iteration 582: trace = 2.45179926618354 (2.92439e-06% change) - linmin: converged after 7 iterations. - iteration 583: trace = 2.451799194783086 (2.91217e-06% change) + iteration 1190: trace = 2.451789450035081 (4.17442e-09% change) linmin: converged after 12 iterations. - iteration 584: trace = 2.451799169243016 (1.04169e-06% change) - linmin: converged after 8 iterations. - iteration 585: trace = 2.451799126081373 (1.76041e-06% change) - linmin: converged after 2 iterations. - iteration 586: trace = 2.451799056584404 (2.83453e-06% change) - linmin: converged after 5 iterations. - iteration 587: trace = 2.451799037591654 (7.74645e-07% change) - large trace change predicted (2.58954e-06%) - linmin: converged after 3 iterations. - iteration 588: trace = 2.451798974098954 (2.58964e-06% change) - linmin: converged after 5 iterations. - iteration 589: trace = 2.451798865056575 (4.44744e-06% change) - linmin: converged after 3 iterations. - iteration 590: trace = 2.451798815752565 (2.01093e-06% change) - large trace change predicted (6.75032e-06%) - linmin: converged after 3 iterations. - iteration 591: trace = 2.45179865020752 (6.75198e-06% change) + iteration 1191: trace = 2.451789449881174 (6.27734e-09% change) linmin: converged after 3 iterations. - iteration 592: trace = 2.451798392978084 (1.04915e-05% change) - linmin: converged after 2 iterations. - iteration 593: trace = 2.451798341014076 (2.11942e-06% change) - large trace change predicted (5.91559e-06%) - linmin: converged after 3 iterations. - iteration 594: trace = 2.451798195958455 (5.9163e-06% change) + iteration 1192: trace = 2.451789449759652 (4.95644e-09% change) linmin: converged after 4 iterations. - iteration 595: trace = 2.451798053437744 (5.81291e-06% change) - linmin: converged after 3 iterations. - iteration 596: trace = 2.451797948203541 (4.29212e-06% change) + iteration 1193: trace = 2.451789449643832 (4.72391e-09% change) linmin: converged after 4 iterations. - iteration 597: trace = 2.451797812823868 (5.52165e-06% change) - linmin: converged after 3 iterations. - iteration 598: trace = 2.451797667765789 (5.9164e-06% change) - linmin: converged after 3 iterations. - iteration 599: trace = 2.451797613208867 (2.22518e-06% change) + iteration 1194: trace = 2.451789449451927 (7.82715e-09% change) + linmin: converged after 11 iterations. + iteration 1195: trace = 2.45178944933972 (4.57652e-09% change) + linmin: converged after 18 iterations. + iteration 1196: trace = 2.45178944920582 (5.46134e-09% change) + linmin: converged after 15 iterations. + iteration 1197: trace = 2.451789448987033 (8.92357e-09% change) linmin: converged after 4 iterations. - iteration 600: trace = 2.451797573279094 (1.62859e-06% change) + iteration 1198: trace = 2.451789448942824 (1.80312e-09% change) + large trace change predicted (4.69148e-09%) + linmin: converged after 25 iterations. + iteration 1199: trace = 2.451789448827802 (4.69136e-09% change) + linmin: converged after 23 iterations. + iteration 1200: trace = 2.451789448697773 (5.30341e-09% change) + linmin: converged after 18 iterations. + iteration 1201: trace = 2.451789448584692 (4.6122e-09% change) linmin: converged after 3 iterations. - iteration 601: trace = 2.451797511405647 (2.5236e-06% change) - linmin: converged after 16 iterations. - iteration 602: trace = 2.451797495827575 (6.35374e-07% change) - linmin: converged after 22 iterations. - iteration 603: trace = 2.451797468701521 (1.10637e-06% change) - linmin: converged after 2 iterations. - iteration 604: trace = 2.451797425297661 (1.77029e-06% change) - linmin: converged after 16 iterations. - iteration 605: trace = 2.451797413176967 (4.9436e-07% change) - large trace change predicted (2.21362e-06%) + iteration 1202: trace = 2.451789448495924 (3.62054e-09% change) + large trace change predicted (1.04577e-08%) linmin: converged after 22 iterations. - iteration 606: trace = 2.451797358904964 (2.21356e-06% change) - linmin: converged after 11 iterations. - iteration 607: trace = 2.451797293903835 (2.65116e-06% change) - linmin: converged after 2 iterations. - iteration 608: trace = 2.451797254649803 (1.60103e-06% change) - large trace change predicted (3.593e-06%) - linmin: converged after 3 iterations. - iteration 609: trace = 2.451797166562065 (3.59278e-06% change) - linmin: converged after 3 iterations. - iteration 610: trace = 2.451797005492685 (6.56944e-06% change) - linmin: converged after 6 iterations. - iteration 611: trace = 2.451796920112159 (3.48237e-06% change) - linmin: converged after 6 iterations. - iteration 612: trace = 2.45179679732706 (5.00796e-06% change) - linmin: converged after 6 iterations. - iteration 613: trace = 2.451796693564692 (4.2321e-06% change) - linmin: converged after 3 iterations. - iteration 614: trace = 2.451796649410477 (1.80089e-06% change) - large trace change predicted (4.06062e-06%) - linmin: converged after 3 iterations. - iteration 615: trace = 2.451796549857634 (4.0604e-06% change) - linmin: converged after 3 iterations. - iteration 616: trace = 2.451796494649746 (2.25173e-06% change) - linmin: converged after 3 iterations. - iteration 617: trace = 2.451796462267598 (1.32075e-06% change) - linmin: converged after 2 iterations. - iteration 618: trace = 2.451796416806242 (1.85421e-06% change) - linmin: converged after 3 iterations. - iteration 619: trace = 2.451796356724762 (2.45051e-06% change) + iteration 1203: trace = 2.451789448239523 (1.04577e-08% change) linmin: converged after 4 iterations. - iteration 620: trace = 2.451796344704529 (4.90262e-07% change) - large trace change predicted (2.2744e-06%) - linmin: converged after 26 iterations. - iteration 621: trace = 2.451796288941718 (2.27437e-06% change) - linmin: converged after 2 iterations. - iteration 622: trace = 2.451796270977686 (7.32689e-07% change) - linmin: converged after 2 iterations. - iteration 623: trace = 2.451796249624427 (8.70923e-07% change) - linmin: converged after 2 iterations. - iteration 624: trace = 2.451796214952842 (1.41413e-06% change) - linmin: converged after 2 iterations. - iteration 625: trace = 2.451796170173427 (1.82639e-06% change) - linmin: converged after 3 iterations. - iteration 626: trace = 2.451796151665538 (7.54871e-07% change) - large trace change predicted (1.78874e-06%) - linmin: converged after 3 iterations. - iteration 627: trace = 2.45179610780839 (1.78878e-06% change) - linmin: converged after 2 iterations. - iteration 628: trace = 2.451796047092974 (2.47636e-06% change) - linmin: converged after 26 iterations. - iteration 629: trace = 2.451796029479969 (7.18372e-07% change) - resetting CG direction... - linmin: converged after 3 iterations. - iteration 630: trace = 2.451796012741334 (6.82709e-07% change) - large trace change predicted (2.09654e-06%) - linmin: converged after 2 iterations. - iteration 631: trace = 2.451795961338387 (2.09654e-06% change) - linmin: converged after 9 iterations. - iteration 632: trace = 2.45179592602504 (1.44031e-06% change) - linmin: converged after 3 iterations. - iteration 633: trace = 2.451795905088337 (8.53933e-07% change) - linmin: converged after 2 iterations. - iteration 634: trace = 2.451795863367345 (1.70165e-06% change) - linmin: converged after 3 iterations. - iteration 635: trace = 2.451795842434369 (8.53781e-07% change) + iteration 1204: trace = 2.451789447913562 (1.32948e-08% change) linmin: converged after 4 iterations. - iteration 636: trace = 2.451795823253336 (7.82326e-07% change) - linmin: converged after 2 iterations. - iteration 637: trace = 2.451795792757435 (1.24382e-06% change) - linmin: converged after 7 iterations. - iteration 638: trace = 2.45179576555358 (1.10955e-06% change) + iteration 1205: trace = 2.451789447801004 (4.59087e-09% change) + large trace change predicted (2.30343e-08%) + linmin: converged after 4 iterations. + iteration 1206: trace = 2.451789447236251 (2.30343e-08% change) linmin: converged after 8 iterations. - iteration 639: trace = 2.451795739773108 (1.05149e-06% change) - linmin: converged after 3 iterations. - iteration 640: trace = 2.4517956901301 (2.02476e-06% change) - linmin: converged after 2 iterations. - iteration 641: trace = 2.451795664286969 (1.05405e-06% change) - linmin: converged after 15 iterations. - iteration 642: trace = 2.45179563766033 (1.08601e-06% change) + iteration 1207: trace = 2.451789446934585 (1.23039e-08% change) linmin: converged after 2 iterations. - iteration 643: trace = 2.451795588485063 (2.00568e-06% change) - linmin: converged after 3 iterations. - iteration 644: trace = 2.451795539525068 (1.9969e-06% change) - linmin: converged after 19 iterations. - iteration 645: trace = 2.451795502640996 (1.50437e-06% change) - large trace change predicted (4.31029e-06%) - linmin: converged after 3 iterations. - iteration 646: trace = 2.451795396954941 (4.31056e-06% change) + iteration 1208: trace = 2.451789446744306 (7.76082e-09% change) + large trace change predicted (1.99882e-08%) + linmin: converged after 4 iterations. + iteration 1209: trace = 2.451789446254233 (1.99884e-08% change) + linmin: converged after 26 iterations. + iteration 1210: trace = 2.451789445858582 (1.61372e-08% change) + linmin: converged after 5 iterations. + iteration 1211: trace = 2.45178944574838 (4.49474e-09% change) linmin: converged after 4 iterations. - iteration 647: trace = 2.451795364800598 (1.31146e-06% change) - large trace change predicted (2.93782e-06%) + iteration 1212: trace = 2.451789445575109 (7.06713e-09% change) linmin: converged after 2 iterations. - iteration 648: trace = 2.451795292770135 (2.93787e-06% change) - large trace change predicted (6.32079e-06%) + iteration 1213: trace = 2.451789445455723 (4.86933e-09% change) + linmin: converged after 6 iterations. + iteration 1214: trace = 2.451789445399124 (2.3085e-09% change) + large trace change predicted (5.57973e-09%) + linmin: converged after 22 iterations. + iteration 1215: trace = 2.45178944526232 (5.57976e-09% change) linmin: converged after 3 iterations. - iteration 649: trace = 2.451795137780789 (6.32146e-06% change) - linmin: converged after 2 iterations. - iteration 650: trace = 2.451795085908627 (2.11568e-06% change) - linmin: converged after 11 iterations. - iteration 651: trace = 2.451795039112831 (1.90863e-06% change) - linmin: converged after 16 iterations. - iteration 652: trace = 2.451794981825601 (2.33654e-06% change) + iteration 1216: trace = 2.451789445138539 (5.04858e-09% change) linmin: converged after 3 iterations. - iteration 653: trace = 2.451794964154467 (7.20743e-07% change) - large trace change predicted (1.71611e-06%) + iteration 1217: trace = 2.45178944509317 (1.85046e-09% change) + large trace change predicted (6.56978e-09%) linmin: converged after 4 iterations. - iteration 654: trace = 2.451794922076946 (1.71619e-06% change) - linmin: converged after 5 iterations. - iteration 655: trace = 2.451794889434599 (1.33137e-06% change) - linmin: converged after 13 iterations. - iteration 656: trace = 2.451794879984825 (3.85423e-07% change) - large trace change predicted (9.94414e-07%) - linmin: converged after 3 iterations. - iteration 657: trace = 2.451794855604035 (9.94406e-07% change) - linmin: converged after 3 iterations. - iteration 658: trace = 2.451794823053012 (1.32764e-06% change) - linmin: converged after 16 iterations. - iteration 659: trace = 2.451794811662601 (4.64574e-07% change) - large trace change predicted (1.70714e-06%) - linmin: converged after 5 iterations. - iteration 660: trace = 2.451794769807879 (1.70711e-06% change) - linmin: converged after 3 iterations. - iteration 661: trace = 2.451794708290626 (2.50907e-06% change) - linmin: converged after 3 iterations. - iteration 662: trace = 2.451794634213091 (3.02136e-06% change) - linmin: converged after 19 iterations. - iteration 663: trace = 2.451794612022829 (9.05062e-07% change) - large trace change predicted (3.52775e-06%) + iteration 1218: trace = 2.451789444932091 (6.56982e-09% change) + linmin: converged after 32 iterations. + iteration 1219: trace = 2.451789444767593 (6.70931e-09% change) + linmin: converged after 6 iterations. + iteration 1220: trace = 2.451789444720996 (1.90053e-09% change) + large trace change predicted (1.40689e-08%) linmin: converged after 4 iterations. - iteration 664: trace = 2.451794525544635 (3.52714e-06% change) + iteration 1221: trace = 2.451789444376059 (1.40688e-08% change) linmin: converged after 4 iterations. - iteration 665: trace = 2.451794469815066 (2.27301e-06% change) - linmin: converged after 3 iterations. - iteration 666: trace = 2.451794420057125 (2.02945e-06% change) - large trace change predicted (5.20654e-06%) - linmin: converged after 5 iterations. - iteration 667: trace = 2.451794292444008 (5.20489e-06% change) + iteration 1222: trace = 2.451789444105299 (1.10434e-08% change) + linmin: converged after 23 iterations. + iteration 1223: trace = 2.451789443864689 (9.81366e-09% change) linmin: converged after 3 iterations. - iteration 668: trace = 2.451794165930693 (5.16003e-06% change) + iteration 1224: trace = 2.451789443394719 (1.91684e-08% change) + linmin: converged after 10 iterations. + iteration 1225: trace = 2.451789442798329 (2.43247e-08% change) linmin: converged after 4 iterations. - iteration 669: trace = 2.451794133465237 (1.32415e-06% change) - large trace change predicted (3.19858e-06%) - linmin: converged after 11 iterations. - iteration 670: trace = 2.451794055050618 (3.19825e-06% change) + iteration 1226: trace = 2.451789442435492 (1.47989e-08% change) + linmin: converged after 23 iterations. + iteration 1227: trace = 2.451789442281145 (6.29527e-09% change) + large trace change predicted (1.53486e-08%) linmin: converged after 5 iterations. - iteration 671: trace = 2.451794029890598 (1.02619e-06% change) - linmin: converged after 3 iterations. - iteration 672: trace = 2.45179401156865 (7.47287e-07% change) - large trace change predicted (1.51873e-06%) - linmin: converged after 6 iterations. - iteration 673: trace = 2.451793974332896 (1.51871e-06% change) - linmin: converged after 3 iterations. - iteration 674: trace = 2.451793962126843 (4.97842e-07% change) - linmin: converged after 3 iterations. - iteration 675: trace = 2.451793946727369 (6.2809e-07% change) - large trace change predicted (1.33892e-06%) - linmin: converged after 2 iterations. - iteration 676: trace = 2.451793913899442 (1.33893e-06% change) - linmin: converged after 3 iterations. - iteration 677: trace = 2.451793874281844 (1.61586e-06% change) - linmin: converged after 3 iterations. - iteration 678: trace = 2.451793859883507 (5.87257e-07% change) - large trace change predicted (2.37031e-06%) - linmin: converged after 3 iterations. - iteration 679: trace = 2.451793801762028 (2.37057e-06% change) - linmin: converged after 3 iterations. - iteration 680: trace = 2.45179375962895 (1.71846e-06% change) - linmin: converged after 2 iterations. - iteration 681: trace = 2.451793723775928 (1.46232e-06% change) - large trace change predicted (3.58492e-06%) + iteration 1228: trace = 2.451789441904837 (1.53483e-08% change) linmin: converged after 4 iterations. - iteration 682: trace = 2.451793635857668 (3.58588e-06% change) - linmin: converged after 3 iterations. - iteration 683: trace = 2.451793595839454 (1.6322e-06% change) - linmin: converged after 4 iterations. - iteration 684: trace = 2.451793522898229 (2.97501e-06% change) + iteration 1229: trace = 2.451789441813919 (3.70823e-09% change) linmin: converged after 4 iterations. - iteration 685: trace = 2.451793441862717 (3.30515e-06% change) - linmin: converged after 3 iterations. - iteration 686: trace = 2.451793417050211 (1.01201e-06% change) - large trace change predicted (2.28174e-06%) + iteration 1230: trace = 2.451789441655903 (6.44494e-09% change) + linmin: converged after 5 iterations. + iteration 1231: trace = 2.45178944154277 (4.61429e-09% change) linmin: converged after 2 iterations. - iteration 687: trace = 2.451793361103791 (2.28186e-06% change) - linmin: converged after 3 iterations. - iteration 688: trace = 2.45179327485653 (3.51772e-06% change) - linmin: converged after 3 iterations. - iteration 689: trace = 2.451793244726272 (1.22891e-06% change) - linmin: converged after 8 iterations. - iteration 690: trace = 2.45179320944602 (1.43896e-06% change) - linmin: converged after 3 iterations. - iteration 691: trace = 2.451793151290725 (2.37195e-06% change) + iteration 1232: trace = 2.451789441358105 (7.53183e-09% change) linmin: converged after 2 iterations. - iteration 692: trace = 2.451793130443018 (8.50304e-07% change) - linmin: converged after 15 iterations. - iteration 693: trace = 2.451793098215616 (1.31444e-06% change) - linmin: converged after 13 iterations. - iteration 694: trace = 2.451793054669052 (1.77611e-06% change) + iteration 1233: trace = 2.451789441308096 (2.03973e-09% change) + large trace change predicted (7.5435e-09%) + linmin: converged after 11 iterations. + iteration 1234: trace = 2.451789441123144 (7.54352e-09% change) linmin: converged after 19 iterations. - iteration 695: trace = 2.451793041170863 (5.50544e-07% change) - linmin: converged after 2 iterations. - iteration 696: trace = 2.451793017141788 (9.80061e-07% change) - large trace change predicted (2.72664e-06%) - linmin: converged after 3 iterations. - iteration 697: trace = 2.451792950287839 (2.72674e-06% change) - linmin: converged after 4 iterations. - iteration 698: trace = 2.45179291676277 (1.36737e-06% change) - large trace change predicted (4.11915e-06%) - linmin: converged after 2 iterations. - iteration 699: trace = 2.451792815767903 (4.11923e-06% change) - resetting CG direction... - linmin: converged after 2 iterations. - iteration 700: trace = 2.451792735973971 (3.25451e-06% change) - linmin: converged after 3 iterations. - iteration 701: trace = 2.451792713385848 (9.2129e-07% change) - large trace change predicted (2.24644e-06%) - linmin: converged after 27 iterations. - iteration 702: trace = 2.451792658309004 (2.24639e-06% change) - linmin: converged after 8 iterations. - iteration 703: trace = 2.451792637528764 (8.47553e-07% change) - linmin: converged after 4 iterations. - iteration 704: trace = 2.451792624061017 (5.49302e-07% change) - large trace change predicted (1.7001e-06%) - linmin: converged after 3 iterations. - iteration 705: trace = 2.451792582379331 (1.70005e-06% change) - linmin: converged after 16 iterations. - iteration 706: trace = 2.45179255538638 (1.10095e-06% change) + iteration 1235: trace = 2.451789441004132 (4.8541e-09% change) + linmin: converged after 14 iterations. + iteration 1236: trace = 2.451789440944017 (2.45188e-09% change) + large trace change predicted (5.84079e-09%) + linmin: converged after 11 iterations. + iteration 1237: trace = 2.451789440800812 (5.84085e-09% change) + linmin: converged after 7 iterations. + iteration 1238: trace = 2.451789440668072 (5.41401e-09% change) linmin: converged after 18 iterations. - iteration 707: trace = 2.451792537408584 (7.33251e-07% change) - large trace change predicted (2.25362e-06%) + iteration 1239: trace = 2.451789440594322 (3.008e-09% change) + large trace change predicted (8.23036e-09%) linmin: converged after 6 iterations. - iteration 708: trace = 2.451792482156694 (2.25353e-06% change) - linmin: converged after 3 iterations. - iteration 709: trace = 2.451792465849439 (6.65116e-07% change) - large trace change predicted (1.33888e-06%) - linmin: converged after 3 iterations. - iteration 710: trace = 2.451792433024327 (1.33882e-06% change) - linmin: converged after 3 iterations. - iteration 711: trace = 2.451792391095912 (1.71011e-06% change) - linmin: converged after 3 iterations. - iteration 712: trace = 2.451792367973385 (9.43087e-07% change) - linmin: converged after 3 iterations. - iteration 713: trace = 2.451792340588103 (1.11695e-06% change) - linmin: converged after 4 iterations. - iteration 714: trace = 2.451792302327005 (1.56054e-06% change) - linmin: converged after 23 iterations. - iteration 715: trace = 2.451792278794445 (9.5981e-07% change) - large trace change predicted (2.39835e-06%) - linmin: converged after 4 iterations. - iteration 716: trace = 2.451792219997243 (2.39813e-06% change) + iteration 1240: trace = 2.45178944039253 (8.23039e-09% change) + linmin: converged after 11 iterations. + iteration 1241: trace = 2.451789440061047 (1.352e-08% change) linmin: converged after 4 iterations. - iteration 717: trace = 2.45179215196424 (2.77483e-06% change) - linmin: converged after 2 iterations. - iteration 718: trace = 2.451792133137846 (7.67863e-07% change) - large trace change predicted (1.8277e-06%) - linmin: converged after 19 iterations. - iteration 719: trace = 2.451792088331478 (1.82749e-06% change) + iteration 1242: trace = 2.451789439958214 (4.19421e-09% change) + large trace change predicted (2.16343e-08%) + linmin: converged after 9 iterations. + iteration 1243: trace = 2.451789439427774 (2.16348e-08% change) linmin: converged after 4 iterations. - iteration 720: trace = 2.451792045582993 (1.74356e-06% change) - linmin: converged after 22 iterations. - iteration 721: trace = 2.451792036069681 (3.88015e-07% change) - large trace change predicted (1.12578e-06%) - linmin: converged after 16 iterations. - iteration 722: trace = 2.451792008467948 (1.12578e-06% change) - linmin: converged after 10 iterations. - iteration 723: trace = 2.45179198955999 (7.71189e-07% change) - linmin: converged after 7 iterations. - iteration 724: trace = 2.451791985092234 (1.82224e-07% change) - large trace change predicted (4.22936e-07%) - linmin: converged after 13 iterations. - iteration 725: trace = 2.451791974722604 (4.22941e-07% change) - linmin: converged after 8 iterations. - iteration 726: trace = 2.451791956378741 (7.48182e-07% change) - linmin: converged after 10 iterations. - iteration 727: trace = 2.451791950427283 (2.42739e-07% change) - large trace change predicted (6.32523e-07%) - linmin: converged after 3 iterations. - iteration 728: trace = 2.451791934918383 (6.32554e-07% change) - large trace change predicted (1.58896e-06%) - linmin: converged after 15 iterations. - iteration 729: trace = 2.451791895956499 (1.58912e-06% change) - linmin: converged after 10 iterations. - iteration 730: trace = 2.451791861578978 (1.40214e-06% change) + iteration 1244: trace = 2.451789439146882 (1.14566e-08% change) linmin: converged after 6 iterations. - iteration 731: trace = 2.451791832578483 (1.18283e-06% change) - large trace change predicted (2.51013e-06%) + iteration 1245: trace = 2.45178943885124 (1.20582e-08% change) linmin: converged after 4 iterations. - iteration 732: trace = 2.451791771020753 (2.51072e-06% change) - linmin: converged after 6 iterations. - iteration 733: trace = 2.451791747921329 (9.42145e-07% change) + iteration 1246: trace = 2.451789438580354 (1.10485e-08% change) linmin: converged after 4 iterations. - iteration 734: trace = 2.45179172199811 (1.05732e-06% change) - linmin: converged after 2 iterations. - iteration 735: trace = 2.451791681180189 (1.66482e-06% change) - linmin: converged after 21 iterations. - iteration 736: trace = 2.451791663920676 (7.03955e-07% change) - large trace change predicted (1.42046e-06%) - linmin: converged after 3 iterations. - iteration 737: trace = 2.451791629094082 (1.42045e-06% change) - linmin: converged after 3 iterations. - iteration 738: trace = 2.451791597026106 (1.30794e-06% change) - linmin: converged after 3 iterations. - iteration 739: trace = 2.451791584493572 (5.11158e-07% change) - linmin: converged after 3 iterations. - iteration 740: trace = 2.451791573347998 (4.54589e-07% change) - linmin: converged after 3 iterations. - iteration 741: trace = 2.451791557905974 (6.29826e-07% change) - linmin: converged after 2 iterations. - iteration 742: trace = 2.451791553693612 (1.71808e-07% change) - linmin: converged after 3 iterations. - iteration 743: trace = 2.451791546815618 (2.80529e-07% change) - linmin: converged after 8 iterations. - iteration 744: trace = 2.451791535594135 (4.57685e-07% change) - linmin: converged after 3 iterations. - iteration 745: trace = 2.451791532954725 (1.07652e-07% change) - large trace change predicted (8.23857e-07%) - linmin: converged after 3 iterations. - iteration 746: trace = 2.45179151275595 (8.23837e-07% change) - linmin: converged after 2 iterations. - iteration 747: trace = 2.451791500115765 (5.15549e-07% change) - linmin: converged after 3 iterations. - iteration 748: trace = 2.451791484009999 (6.56898e-07% change) - linmin: converged after 6 iterations. - iteration 749: trace = 2.451791455247939 (1.1731e-06% change) - linmin: converged after 3 iterations. - iteration 750: trace = 2.451791407870619 (1.93236e-06% change) - linmin: converged after 3 iterations. - iteration 751: trace = 2.451791395788454 (4.92789e-07% change) - large trace change predicted (1.05106e-06%) + iteration 1247: trace = 2.451789438294992 (1.16389e-08% change) linmin: converged after 5 iterations. - iteration 752: trace = 2.451791370018292 (1.05107e-06% change) - linmin: converged after 3 iterations. - iteration 753: trace = 2.451791337156644 (1.34031e-06% change) - linmin: converged after 7 iterations. - iteration 754: trace = 2.45179132960818 (3.07875e-07% change) - large trace change predicted (8.59089e-07%) - linmin: converged after 5 iterations. - iteration 755: trace = 2.451791308545715 (8.59064e-07% change) + iteration 1248: trace = 2.451789438193756 (4.12906e-09% change) linmin: converged after 4 iterations. - iteration 756: trace = 2.451791294509581 (5.72485e-07% change) - linmin: converged after 2 iterations. - iteration 757: trace = 2.451791287850632 (2.71595e-07% change) - large trace change predicted (5.73049e-07%) - linmin: converged after 3 iterations. - iteration 758: trace = 2.451791273800747 (5.73046e-07% change) - linmin: converged after 5 iterations. - iteration 759: trace = 2.451791254442803 (7.89543e-07% change) - linmin: converged after 7 iterations. - iteration 760: trace = 2.451791250679621 (1.53487e-07% change) - large trace change predicted (5.76617e-07%) - linmin: converged after 3 iterations. - iteration 761: trace = 2.451791236542554 (5.76602e-07% change) - linmin: converged after 10 iterations. - iteration 762: trace = 2.451791228177568 (3.41179e-07% change) - linmin: converged after 3 iterations. - iteration 763: trace = 2.451791222089034 (2.4833e-07% change) - linmin: converged after 2 iterations. - iteration 764: trace = 2.45179121837512 (1.51478e-07% change) - large trace change predicted (4.70197e-07%) - linmin: converged after 2 iterations. - iteration 765: trace = 2.451791206846856 (4.70198e-07% change) - linmin: converged after 13 iterations. - iteration 766: trace = 2.451791199724155 (2.9051e-07% change) + iteration 1249: trace = 2.45178943801027 (7.48375e-09% change) linmin: converged after 4 iterations. - iteration 767: trace = 2.451791193275321 (2.63025e-07% change) - large trace change predicted (6.02358e-07%) - linmin: converged after 2 iterations. - iteration 768: trace = 2.451791178506686 (6.02361e-07% change) - linmin: converged after 16 iterations. - iteration 769: trace = 2.451791170879737 (3.11077e-07% change) - resetting CG direction... - linmin: converged after 3 iterations. - iteration 770: trace = 2.451791163588499 (2.97384e-07% change) + iteration 1250: trace = 2.451789437907666 (4.18487e-09% change) linmin: converged after 2 iterations. - iteration 771: trace = 2.451791149922613 (5.57384e-07% change) - linmin: converged after 3 iterations. - iteration 772: trace = 2.45179114388743 (2.46154e-07% change) - linmin: converged after 6 iterations. - iteration 773: trace = 2.451791136832123 (2.87761e-07% change) + iteration 1251: trace = 2.451789437846152 (2.50894e-09% change) + large trace change predicted (6.4467e-09%) linmin: converged after 2 iterations. - iteration 774: trace = 2.451791126337473 (4.2804e-07% change) + iteration 1252: trace = 2.451789437688092 (6.44675e-09% change) linmin: converged after 4 iterations. - iteration 775: trace = 2.451791122995828 (1.36294e-07% change) - linmin: converged after 3 iterations. - iteration 776: trace = 2.45179111679879 (2.52756e-07% change) - linmin: converged after 2 iterations. - iteration 777: trace = 2.451791109191606 (3.1027e-07% change) - linmin: converged after 9 iterations. - iteration 778: trace = 2.45179110239284 (2.77298e-07% change) + iteration 1253: trace = 2.451789437425642 (1.07044e-08% change) linmin: converged after 5 iterations. - iteration 779: trace = 2.451791093004328 (3.82925e-07% change) - linmin: converged after 3 iterations. - iteration 780: trace = 2.451791077222339 (6.43692e-07% change) - linmin: converged after 2 iterations. - iteration 781: trace = 2.451791073093088 (1.68418e-07% change) - large trace change predicted (5.38894e-07%) - linmin: converged after 24 iterations. - iteration 782: trace = 2.451791059880235 (5.38906e-07% change) - linmin: converged after 2 iterations. - iteration 783: trace = 2.451791048214907 (4.75788e-07% change) - linmin: converged after 14 iterations. - iteration 784: trace = 2.451791043662033 (1.85696e-07% change) - large trace change predicted (7.44705e-07%) - linmin: converged after 16 iterations. - iteration 785: trace = 2.451791025402476 (7.44744e-07% change) - linmin: converged after 2 iterations. - iteration 786: trace = 2.451791002705439 (9.25733e-07% change) - linmin: converged after 2 iterations. - iteration 787: trace = 2.451790994296228 (3.42982e-07% change) - large trace change predicted (9.31606e-07%) - linmin: converged after 2 iterations. - iteration 788: trace = 2.451790971454671 (9.31627e-07% change) - linmin: converged after 2 iterations. - iteration 789: trace = 2.451790936202922 (1.4378e-06% change) - linmin: converged after 3 iterations. - iteration 790: trace = 2.451790929346274 (2.79659e-07% change) - large trace change predicted (8.69486e-07%) - linmin: converged after 3 iterations. - iteration 791: trace = 2.451790908027687 (8.69511e-07% change) - linmin: converged after 2 iterations. - iteration 792: trace = 2.451790893576357 (5.89419e-07% change) - linmin: converged after 4 iterations. - iteration 793: trace = 2.451790890020725 (1.45022e-07% change) - large trace change predicted (5.32387e-07%) - linmin: converged after 2 iterations. - iteration 794: trace = 2.451790876967421 (5.32399e-07% change) - linmin: converged after 3 iterations. - iteration 795: trace = 2.451790868820841 (3.32271e-07% change) - linmin: converged after 20 iterations. - iteration 796: trace = 2.451790866257376 (1.04555e-07% change) - linmin: converged after 2 iterations. - iteration 797: trace = 2.451790861780407 (1.826e-07% change) - large trace change predicted (3.96954e-07%) - linmin: converged after 2 iterations. - iteration 798: trace = 2.451790852047909 (3.96955e-07% change) + iteration 1254: trace = 2.451789437334018 (3.73703e-09% change) + large trace change predicted (8.96088e-09%) + linmin: converged after 27 iterations. + iteration 1255: trace = 2.451789437114314 (8.96096e-09% change) + linmin: converged after 7 iterations. + iteration 1256: trace = 2.451789436745027 (1.50619e-08% change) linmin: converged after 6 iterations. - iteration 799: trace = 2.451790847076646 (2.02761e-07% change) - large trace change predicted (4.08768e-07%) - linmin: converged after 5 iterations. - iteration 800: trace = 2.451790837054765 (4.08758e-07% change) - linmin: converged after 3 iterations. - iteration 801: trace = 2.451790817335906 (8.04264e-07% change) + iteration 1257: trace = 2.451789436658003 (3.54938e-09% change) + large trace change predicted (1.76098e-08%) + linmin: converged after 10 iterations. + iteration 1258: trace = 2.451789436226244 (1.761e-08% change) linmin: converged after 6 iterations. - iteration 802: trace = 2.451790794602013 (9.27236e-07% change) - linmin: converged after 3 iterations. - iteration 803: trace = 2.451790786000812 (3.50813e-07% change) - large trace change predicted (1.02455e-06%) - linmin: converged after 5 iterations. - iteration 804: trace = 2.451790760882183 (1.0245e-06% change) - linmin: converged after 16 iterations. - iteration 805: trace = 2.451790740503937 (8.31158e-07% change) + iteration 1259: trace = 2.451789435700602 (2.14391e-08% change) + resetting CG direction... + linmin: converged after 28 iterations. + iteration 1260: trace = 2.451789435560602 (5.71012e-09% change) + large trace change predicted (1.32314e-08%) linmin: converged after 4 iterations. - iteration 806: trace = 2.451790730236656 (4.18767e-07% change) - large trace change predicted (1.1669e-06%) + iteration 1261: trace = 2.451789435236197 (1.32314e-08% change) + linmin: converged after 27 iterations. + iteration 1262: trace = 2.451789434912874 (1.31872e-08% change) linmin: converged after 3 iterations. - iteration 807: trace = 2.451790701629887 (1.16677e-06% change) - linmin: converged after 4 iterations. - iteration 808: trace = 2.451790674914408 (1.08963e-06% change) - linmin: converged after 11 iterations. - iteration 809: trace = 2.451790667117731 (3.17999e-07% change) - large trace change predicted (7.77162e-07%) - linmin: converged after 14 iterations. - iteration 810: trace = 2.451790648064388 (7.7712e-07% change) - linmin: converged after 4 iterations. - iteration 811: trace = 2.451790640953193 (2.90041e-07% change) - linmin: converged after 4 iterations. - iteration 812: trace = 2.451790637185523 (1.5367e-07% change) - large trace change predicted (3.43254e-07%) - linmin: converged after 12 iterations. - iteration 813: trace = 2.451790628769825 (3.43247e-07% change) + iteration 1263: trace = 2.451789434799785 (4.61249e-09% change) + large trace change predicted (9.76687e-09%) + linmin: converged after 26 iterations. + iteration 1264: trace = 2.451789434560326 (9.76673e-09% change) + linmin: converged after 21 iterations. + iteration 1265: trace = 2.451789434316022 (9.9643e-09% change) linmin: converged after 4 iterations. - iteration 814: trace = 2.451790625950864 (1.14976e-07% change) - linmin: converged after 8 iterations. - iteration 815: trace = 2.451790622016659 (1.60462e-07% change) - large trace change predicted (3.50387e-07%) + iteration 1266: trace = 2.451789434225153 (3.70622e-09% change) + linmin: converged after 15 iterations. + iteration 1267: trace = 2.45178943405625 (6.88899e-09% change) linmin: converged after 2 iterations. - iteration 816: trace = 2.451790613425877 (3.50388e-07% change) + iteration 1268: trace = 2.451789433890931 (6.74278e-09% change) linmin: converged after 4 iterations. - iteration 817: trace = 2.451790604263075 (3.73719e-07% change) - linmin: converged after 3 iterations. - iteration 818: trace = 2.451790596543134 (3.1487e-07% change) - large trace change predicted (7.49179e-07%) - linmin: converged after 3 iterations. - iteration 819: trace = 2.451790578173797 (7.49221e-07% change) - linmin: converged after 3 iterations. - iteration 820: trace = 2.451790565854311 (5.02469e-07% change) - linmin: converged after 5 iterations. - iteration 821: trace = 2.45179055377303 (4.92753e-07% change) - large trace change predicted (1.24216e-06%) + iteration 1269: trace = 2.451789433858659 (1.31624e-09% change) + large trace change predicted (4.65154e-09%) + linmin: converged after 21 iterations. + iteration 1270: trace = 2.451789433744613 (4.65155e-09% change) + linmin: converged after 15 iterations. + iteration 1271: trace = 2.45178943359962 (5.91378e-09% change) + linmin: converged after 21 iterations. + iteration 1272: trace = 2.451789433544936 (2.23036e-09% change) + large trace change predicted (5.14972e-09%) linmin: converged after 3 iterations. - iteration 822: trace = 2.451790523313139 (1.24235e-06% change) + iteration 1273: trace = 2.451789433418675 (5.14976e-09% change) linmin: converged after 4 iterations. - iteration 823: trace = 2.451790506795848 (6.73683e-07% change) - linmin: converged after 3 iterations. - iteration 824: trace = 2.451790490932665 (6.47004e-07% change) - linmin: converged after 3 iterations. - iteration 825: trace = 2.451790475293392 (6.37872e-07% change) - linmin: converged after 10 iterations. - iteration 826: trace = 2.451790466892733 (3.42634e-07% change) - linmin: converged after 5 iterations. - iteration 827: trace = 2.451790458534979 (3.40884e-07% change) - linmin: converged after 2 iterations. - iteration 828: trace = 2.451790442893108 (6.37977e-07% change) - linmin: converged after 5 iterations. - iteration 829: trace = 2.451790433408977 (3.86825e-07% change) + iteration 1274: trace = 2.451789433196982 (9.0421e-09% change) linmin: converged after 16 iterations. - iteration 830: trace = 2.451790426941059 (2.63804e-07% change) - large trace change predicted (7.12545e-07%) + iteration 1275: trace = 2.451789433120596 (3.11548e-09% change) + large trace change predicted (9.49621e-09%) linmin: converged after 5 iterations. - iteration 831: trace = 2.451790409470244 (7.12574e-07% change) - linmin: converged after 19 iterations. - iteration 832: trace = 2.451790402203408 (2.96389e-07% change) + iteration 1276: trace = 2.451789432887772 (9.49612e-09% change) + linmin: converged after 21 iterations. + iteration 1277: trace = 2.451789432636984 (1.02287e-08% change) + linmin: converged after 17 iterations. + iteration 1278: trace = 2.45178943256036 (3.12525e-09% change) + large trace change predicted (9.39307e-09%) linmin: converged after 4 iterations. - iteration 833: trace = 2.451790393834325 (3.41346e-07% change) - linmin: converged after 2 iterations. - iteration 834: trace = 2.451790380438437 (5.46372e-07% change) - linmin: converged after 10 iterations. - iteration 835: trace = 2.451790373523198 (2.82049e-07% change) + iteration 1279: trace = 2.451789432330062 (9.39306e-09% change) + linmin: converged after 16 iterations. + iteration 1280: trace = 2.45178943216216 (6.84813e-09% change) + linmin: converged after 5 iterations. + iteration 1281: trace = 2.451789432111479 (2.06709e-09% change) linmin: converged after 4 iterations. - iteration 836: trace = 2.451790370151761 (1.37509e-07% change) - large trace change predicted (5.80216e-07%) - linmin: converged after 25 iterations. - iteration 837: trace = 2.451790355925887 (5.80224e-07% change) - linmin: converged after 3 iterations. - iteration 838: trace = 2.451790340317039 (6.36631e-07% change) - linmin: converged after 2 iterations. - iteration 839: trace = 2.451790324464929 (6.46552e-07% change) - resetting CG direction... - linmin: converged after 3 iterations. - iteration 840: trace = 2.451790309779352 (5.98974e-07% change) - linmin: converged after 18 iterations. - iteration 841: trace = 2.45179029649365 (5.41878e-07% change) - linmin: converged after 3 iterations. - iteration 842: trace = 2.45179028307721 (5.4721e-07% change) - linmin: converged after 3 iterations. - iteration 843: trace = 2.451790279670369 (1.38953e-07% change) - linmin: converged after 3 iterations. - iteration 844: trace = 2.451790273062005 (2.69532e-07% change) + iteration 1282: trace = 2.451789432045354 (2.69702e-09% change) + linmin: converged after 23 iterations. + iteration 1283: trace = 2.451789431948045 (3.96889e-09% change) + linmin: converged after 23 iterations. + iteration 1284: trace = 2.451789431924334 (9.671e-10% change) + large trace change predicted (3.96272e-09%) + linmin: converged after 5 iterations. + iteration 1285: trace = 2.451789431827176 (3.96273e-09% change) linmin: converged after 21 iterations. - iteration 845: trace = 2.451790261480712 (4.72361e-07% change) + iteration 1286: trace = 2.451789431760682 (2.71206e-09% change) linmin: converged after 4 iterations. - iteration 846: trace = 2.451790259224823 (9.20098e-08% change) - large trace change predicted (4.1551e-07%) + iteration 1287: trace = 2.451789431734129 (1.083e-09% change) + large trace change predicted (2.88985e-09%) linmin: converged after 16 iterations. - iteration 847: trace = 2.451790249037572 (4.15503e-07% change) + iteration 1288: trace = 2.451789431663276 (2.88985e-09% change) + linmin: converged after 2 iterations. + iteration 1289: trace = 2.451789431594212 (2.81688e-09% change) + linmin: converged after 6 iterations. + iteration 1290: trace = 2.451789431532913 (2.50019e-09% change) linmin: converged after 10 iterations. - iteration 848: trace = 2.451790237706153 (4.62169e-07% change) + iteration 1291: trace = 2.45178943149976 (1.3522e-09% change) + large trace change predicted (5.48745e-09%) linmin: converged after 7 iterations. - iteration 849: trace = 2.451790232156626 (2.26346e-07% change) - linmin: converged after 3 iterations. - iteration 850: trace = 2.451790222441097 (3.96263e-07% change) + iteration 1292: trace = 2.451789431365218 (5.48749e-09% change) linmin: converged after 4 iterations. - iteration 851: trace = 2.451790213537884 (3.63131e-07% change) - linmin: converged after 16 iterations. - iteration 852: trace = 2.451790208676213 (1.98291e-07% change) - large trace change predicted (4.41386e-07%) + iteration 1293: trace = 2.451789431195044 (6.94081e-09% change) + linmin: converged after 7 iterations. + iteration 1294: trace = 2.45178943107835 (4.75953e-09% change) + large trace change predicted (1.19714e-08%) linmin: converged after 6 iterations. - iteration 853: trace = 2.451790197854555 (4.41378e-07% change) - linmin: converged after 3 iterations. - iteration 854: trace = 2.451790191124031 (2.74515e-07% change) - linmin: converged after 4 iterations. - iteration 855: trace = 2.451790184160896 (2.84002e-07% change) - large trace change predicted (7.53085e-07%) - linmin: converged after 4 iterations. - iteration 856: trace = 2.451790165698048 (7.53035e-07% change) + iteration 1295: trace = 2.45178943078483 (1.19717e-08% change) linmin: converged after 6 iterations. - iteration 857: trace = 2.45179015009668 (6.36326e-07% change) - linmin: converged after 3 iterations. - iteration 858: trace = 2.451790143604585 (2.6479e-07% change) - linmin: converged after 14 iterations. - iteration 859: trace = 2.451790132254787 (4.62919e-07% change) - linmin: converged after 4 iterations. - iteration 860: trace = 2.451790121261698 (4.4837e-07% change) + iteration 1296: trace = 2.451789430653277 (5.36561e-09% change) + linmin: converged after 6 iterations. + iteration 1297: trace = 2.45178943057762 (3.08576e-09% change) + large trace change predicted (6.1799e-09%) linmin: converged after 4 iterations. - iteration 861: trace = 2.451790118898645 (9.63807e-08% change) - large trace change predicted (3.79461e-07%) + iteration 1298: trace = 2.451789430426102 (6.17993e-09% change) + linmin: converged after 7 iterations. + iteration 1299: trace = 2.451789430339927 (3.51478e-09% change) + linmin: converged after 7 iterations. + iteration 1300: trace = 2.451789430298256 (1.69958e-09% change) linmin: converged after 3 iterations. - iteration 862: trace = 2.45179010959524 (3.79454e-07% change) - linmin: converged after 6 iterations. - iteration 863: trace = 2.45179010705539 (1.03592e-07% change) - linmin: converged after 6 iterations. - iteration 864: trace = 2.451790104476392 (1.05188e-07% change) + iteration 1301: trace = 2.451789430239784 (2.38488e-09% change) linmin: converged after 7 iterations. - iteration 865: trace = 2.451790101403323 (1.2534e-07% change) + iteration 1302: trace = 2.451789430204097 (1.45555e-09% change) + linmin: converged after 26 iterations. + iteration 1303: trace = 2.451789430146562 (2.34667e-09% change) + linmin: converged after 5 iterations. + iteration 1304: trace = 2.451789430082072 (2.6303e-09% change) linmin: converged after 3 iterations. - iteration 866: trace = 2.451790097444481 (1.61467e-07% change) - linmin: converged after 15 iterations. - iteration 867: trace = 2.451790095628192 (7.40801e-08% change) - large trace change predicted (1.95522e-07%) - linmin: converged after 23 iterations. - iteration 868: trace = 2.451790090834302 (1.95526e-07% change) - large trace change predicted (4.25874e-07%) - linmin: converged after 9 iterations. - iteration 869: trace = 2.45179008039213 (4.259e-07% change) - linmin: converged after 4 iterations. - iteration 870: trace = 2.451790077448802 (1.20048e-07% change) - large trace change predicted (6.0249e-07%) - linmin: converged after 2 iterations. - iteration 871: trace = 2.451790062675531 (6.0255e-07% change) + iteration 1305: trace = 2.451789430056432 (1.04576e-09% change) + linmin: converged after 11 iterations. + iteration 1306: trace = 2.451789430028587 (1.13571e-09% change) linmin: converged after 5 iterations. - iteration 872: trace = 2.451790051455813 (4.57613e-07% change) - linmin: converged after 15 iterations. - iteration 873: trace = 2.451790045147716 (2.57285e-07% change) - linmin: converged after 4 iterations. - iteration 874: trace = 2.451790035301876 (4.01578e-07% change) + iteration 1307: trace = 2.451789429975986 (2.14541e-09% change) linmin: converged after 5 iterations. - iteration 875: trace = 2.451790024447664 (4.42706e-07% change) - linmin: converged after 15 iterations. - iteration 876: trace = 2.451790020630139 (1.55704e-07% change) - large trace change predicted (4.65255e-07%) - linmin: converged after 3 iterations. - iteration 877: trace = 2.451790009222636 (4.65272e-07% change) + iteration 1308: trace = 2.45178942990965 (2.70561e-09% change) + linmin: converged after 7 iterations. + iteration 1309: trace = 2.451789429875837 (1.37911e-09% change) + large trace change predicted (3.73612e-09%) + linmin: converged after 18 iterations. + iteration 1310: trace = 2.451789429784233 (3.73623e-09% change) + linmin: converged after 6 iterations. + iteration 1311: trace = 2.451789429679518 (4.27098e-09% change) + linmin: converged after 5 iterations. + iteration 1312: trace = 2.451789429630319 (2.00663e-09% change) + large trace change predicted (5.81131e-09%) + linmin: converged after 14 iterations. + iteration 1313: trace = 2.45178942948784 (5.81122e-09% change) linmin: converged after 4 iterations. - iteration 878: trace = 2.451790002210733 (2.85991e-07% change) + iteration 1314: trace = 2.451789429355552 (5.39559e-09% change) + linmin: converged after 25 iterations. + iteration 1315: trace = 2.45178942930769 (1.95213e-09% change) + large trace change predicted (4.02181e-09%) + linmin: converged after 21 iterations. + iteration 1316: trace = 2.451789429209084 (4.02178e-09% change) linmin: converged after 4 iterations. - iteration 879: trace = 2.451789999285162 (1.19324e-07% change) + iteration 1317: trace = 2.451789429087616 (4.95427e-09% change) + linmin: converged after 21 iterations. + iteration 1318: trace = 2.451789429062166 (1.03801e-09% change) + linmin: converged after 5 iterations. + iteration 1319: trace = 2.45178942901517 (1.91681e-09% change) linmin: converged after 4 iterations. - iteration 880: trace = 2.45178999465364 (1.88904e-07% change) + iteration 1320: trace = 2.451789428985432 (1.21289e-09% change) + linmin: converged after 17 iterations. + iteration 1321: trace = 2.45178942897339 (4.91166e-10% change) + large trace change predicted (1.37362e-09%) + linmin: converged after 16 iterations. + iteration 1322: trace = 2.451789428939714 (1.37353e-09% change) linmin: converged after 4 iterations. - iteration 881: trace = 2.451789991462778 (1.30144e-07% change) - linmin: converged after 10 iterations. - iteration 882: trace = 2.451789989911505 (6.3271e-08% change) + iteration 1323: trace = 2.451789428891832 (1.95295e-09% change) + linmin: converged after 16 iterations. + iteration 1324: trace = 2.45178942885417 (1.53608e-09% change) linmin: converged after 2 iterations. - iteration 883: trace = 2.451789987774147 (8.71754e-08% change) - linmin: converged after 3 iterations. - iteration 884: trace = 2.45178998561956 (8.78781e-08% change) - linmin: converged after 32 iterations. - iteration 885: trace = 2.451789984060726 (6.35794e-08% change) - large trace change predicted (2.26079e-07%) - linmin: converged after 3 iterations. - iteration 886: trace = 2.451789978517803 (2.26077e-07% change) - linmin: converged after 3 iterations. - iteration 887: trace = 2.451789975618574 (1.18249e-07% change) - linmin: converged after 21 iterations. - iteration 888: trace = 2.451789970752478 (1.98471e-07% change) - linmin: converged after 3 iterations. - iteration 889: trace = 2.451789963007556 (3.15888e-07% change) - linmin: converged after 3 iterations. - iteration 890: trace = 2.4517899579975 (2.04343e-07% change) + iteration 1325: trace = 2.451789428838342 (6.45597e-10% change) + large trace change predicted (2.24009e-09%) linmin: converged after 3 iterations. - iteration 891: trace = 2.45178994846777 (3.88685e-07% change) - linmin: converged after 9 iterations. - iteration 892: trace = 2.451789940500019 (3.24977e-07% change) - linmin: converged after 2 iterations. - iteration 893: trace = 2.451789931682476 (3.59637e-07% change) - linmin: converged after 11 iterations. - iteration 894: trace = 2.451789929697368 (8.09657e-08% change) - large trace change predicted (2.14415e-07%) + iteration 1326: trace = 2.451789428783417 (2.24016e-09% change) linmin: converged after 16 iterations. - iteration 895: trace = 2.451789924440501 (2.14409e-07% change) - linmin: converged after 3 iterations. - iteration 896: trace = 2.451789920666248 (1.53939e-07% change) - linmin: converged after 9 iterations. - iteration 897: trace = 2.451789918914021 (7.14673e-08% change) - linmin: converged after 8 iterations. - iteration 898: trace = 2.451789915531875 (1.37946e-07% change) - linmin: converged after 3 iterations. - iteration 899: trace = 2.451789911150354 (1.78707e-07% change) - linmin: converged after 4 iterations. - iteration 900: trace = 2.451789909905673 (5.07662e-08% change) - large trace change predicted (1.76165e-07%) - linmin: converged after 3 iterations. - iteration 901: trace = 2.451789905586541 (1.76162e-07% change) - linmin: converged after 4 iterations. - iteration 902: trace = 2.451789904563604 (4.17221e-08% change) - linmin: converged after 3 iterations. - iteration 903: trace = 2.451789902854239 (6.97191e-08% change) - linmin: converged after 3 iterations. - iteration 904: trace = 2.451789900655728 (8.96697e-08% change) - linmin: converged after 2 iterations. - iteration 905: trace = 2.451789897972549 (1.09438e-07% change) + iteration 1327: trace = 2.451789428756056 (1.11599e-09% change) + linmin: converged after 5 iterations. + iteration 1328: trace = 2.451789428727916 (1.14772e-09% change) linmin: converged after 4 iterations. - iteration 906: trace = 2.451789896889578 (4.41706e-08% change) - large trace change predicted (1.05592e-07%) - linmin: converged after 2 iterations. - iteration 907: trace = 2.45178989430069 (1.05592e-07% change) - linmin: converged after 2 iterations. - iteration 908: trace = 2.451789890957687 (1.36349e-07% change) - linmin: converged after 3 iterations. - iteration 909: trace = 2.451789889732013 (4.9991e-08% change) + iteration 1329: trace = 2.451789428682998 (1.83204e-09% change) resetting CG direction... - linmin: converged after 8 iterations. - iteration 910: trace = 2.451789888533851 (4.88689e-08% change) - large trace change predicted (1.2737e-07%) - linmin: converged after 2 iterations. - iteration 911: trace = 2.451789885411004 (1.2737e-07% change) - linmin: converged after 4 iterations. - iteration 912: trace = 2.451789882973843 (9.94033e-08% change) - linmin: converged after 4 iterations. - iteration 913: trace = 2.451789881904536 (4.36133e-08% change) - large trace change predicted (1.05932e-07%) - linmin: converged after 4 iterations. - iteration 914: trace = 2.451789879307316 (1.05932e-07% change) - linmin: converged after 4 iterations. - iteration 915: trace = 2.451789877254513 (8.37267e-08% change) - linmin: converged after 3 iterations. - iteration 916: trace = 2.451789875938015 (5.36954e-08% change) - linmin: converged after 4 iterations. - iteration 917: trace = 2.451789874643029 (5.2818e-08% change) - large trace change predicted (1.47752e-07%) - linmin: converged after 3 iterations. - iteration 918: trace = 2.451789871020394 (1.47755e-07% change) - linmin: converged after 4 iterations. - iteration 919: trace = 2.451789870072425 (3.86643e-08% change) - large trace change predicted (1.29495e-07%) - linmin: converged after 6 iterations. - iteration 920: trace = 2.45178986689743 (1.29497e-07% change) - linmin: converged after 2 iterations. - iteration 921: trace = 2.451789863729079 (1.29226e-07% change) + linmin: converged after 5 iterations. + iteration 1330: trace = 2.451789428657595 (1.03609e-09% change) + linmin: converged after 10 iterations. + iteration 1331: trace = 2.451789428637262 (8.29315e-10% change) + linmin: converged after 17 iterations. + iteration 1332: trace = 2.451789428602034 (1.43686e-09% change) linmin: converged after 4 iterations. - iteration 922: trace = 2.451789862594803 (4.62632e-08% change) - large trace change predicted (1.72944e-07%) - linmin: converged after 6 iterations. - iteration 923: trace = 2.45178985835452 (1.72946e-07% change) + iteration 1333: trace = 2.451789428564427 (1.53385e-09% change) linmin: converged after 18 iterations. - iteration 924: trace = 2.451789854009284 (1.77227e-07% change) - linmin: converged after 3 iterations. - iteration 925: trace = 2.451789852099355 (7.78994e-08% change) - large trace change predicted (2.94273e-07%) - linmin: converged after 3 iterations. - iteration 926: trace = 2.451789844884257 (2.94279e-07% change) - linmin: converged after 19 iterations. - iteration 927: trace = 2.451789839801303 (2.07316e-07% change) - linmin: converged after 4 iterations. - iteration 928: trace = 2.451789837325225 (1.00991e-07% change) - large trace change predicted (3.74766e-07%) - linmin: converged after 3 iterations. - iteration 929: trace = 2.451789828136397 (3.7478e-07% change) - linmin: converged after 4 iterations. - iteration 930: trace = 2.451789824134031 (1.63243e-07% change) - linmin: converged after 7 iterations. - iteration 931: trace = 2.451789820661545 (1.41631e-07% change) - linmin: converged after 3 iterations. - iteration 932: trace = 2.451789816782019 (1.58232e-07% change) - linmin: converged after 9 iterations. - iteration 933: trace = 2.451789813578717 (1.30652e-07% change) - linmin: converged after 4 iterations. - iteration 934: trace = 2.451789812508383 (4.36552e-08% change) - large trace change predicted (8.96536e-08%) - linmin: converged after 4 iterations. - iteration 935: trace = 2.451789810310252 (8.96541e-08% change) - linmin: converged after 5 iterations. - iteration 936: trace = 2.451789808910722 (5.7082e-08% change) + iteration 1334: trace = 2.451789428537665 (1.09152e-09% change) + linmin: converged after 18 iterations. + iteration 1335: trace = 2.451789428495553 (1.71762e-09% change) linmin: converged after 11 iterations. - iteration 937: trace = 2.451789807462006 (5.90881e-08% change) - linmin: converged after 3 iterations. - iteration 938: trace = 2.451789805875364 (6.47136e-08% change) + iteration 1336: trace = 2.451789428481305 (5.81115e-10% change) + large trace change predicted (1.28419e-09%) + linmin: converged after 30 iterations. + iteration 1337: trace = 2.451789428449823 (1.28406e-09% change) linmin: converged after 15 iterations. - iteration 939: trace = 2.451789802780504 (1.26229e-07% change) - linmin: converged after 3 iterations. - iteration 940: trace = 2.451789799165365 (1.47449e-07% change) - linmin: converged after 7 iterations. - iteration 941: trace = 2.451789796291298 (1.17223e-07% change) - large trace change predicted (2.9045e-07%) - linmin: converged after 4 iterations. - iteration 942: trace = 2.451789789170184 (2.90446e-07% change) - linmin: converged after 6 iterations. - iteration 943: trace = 2.45178978657745 (1.05749e-07% change) - large trace change predicted (2.46424e-07%) - linmin: converged after 4 iterations. - iteration 944: trace = 2.451789780535648 (2.46424e-07% change) - linmin: converged after 7 iterations. - iteration 945: trace = 2.451789774993603 (2.26041e-07% change) - linmin: converged after 9 iterations. - iteration 946: trace = 2.451789770389197 (1.87798e-07% change) - linmin: converged after 3 iterations. - iteration 947: trace = 2.451789765370563 (2.04693e-07% change) - linmin: converged after 3 iterations. - iteration 948: trace = 2.451789757170754 (3.34442e-07% change) - linmin: converged after 19 iterations. - iteration 949: trace = 2.451789755008747 (8.81808e-08% change) - linmin: converged after 5 iterations. - iteration 950: trace = 2.451789750811095 (1.71208e-07% change) - linmin: converged after 4 iterations. - iteration 951: trace = 2.451789748463809 (9.57377e-08% change) + iteration 1338: trace = 2.451789428413242 (1.49201e-09% change) linmin: converged after 4 iterations. - iteration 952: trace = 2.451789747695404 (3.13406e-08% change) - large trace change predicted (8.25276e-08%) + iteration 1339: trace = 2.451789428400436 (5.22302e-10% change) + large trace change predicted (1.34255e-09%) linmin: converged after 4 iterations. - iteration 953: trace = 2.45178974567201 (8.25272e-08% change) - linmin: converged after 5 iterations. - iteration 954: trace = 2.451789744313788 (5.53972e-08% change) - linmin: converged after 2 iterations. - iteration 955: trace = 2.451789743483708 (3.38561e-08% change) + iteration 1340: trace = 2.451789428367522 (1.34245e-09% change) linmin: converged after 4 iterations. - iteration 956: trace = 2.451789741842887 (6.69234e-08% change) - large trace change predicted (1.64795e-07%) - linmin: converged after 19 iterations. - iteration 957: trace = 2.451789737802367 (1.64799e-07% change) + iteration 1341: trace = 2.451789428338691 (1.17592e-09% change) linmin: converged after 18 iterations. - iteration 958: trace = 2.4517897369849 (3.33416e-08% change) - large trace change predicted (2.40626e-07%) + iteration 1342: trace = 2.451789428296145 (1.7353e-09% change) linmin: converged after 3 iterations. - iteration 959: trace = 2.451789731084944 (2.40639e-07% change) + iteration 1343: trace = 2.451789428236506 (2.43247e-09% change) + linmin: converged after 27 iterations. + iteration 1344: trace = 2.451789428142465 (3.8356e-09% change) + linmin: converged after 15 iterations. + iteration 1345: trace = 2.451789428116603 (1.0548e-09% change) + large trace change predicted (3.27705e-09%) + linmin: converged after 4 iterations. + iteration 1346: trace = 2.451789428036255 (3.27712e-09% change) linmin: converged after 13 iterations. - iteration 960: trace = 2.451789727801833 (1.33907e-07% change) - linmin: converged after 10 iterations. - iteration 961: trace = 2.451789724031748 (1.53769e-07% change) - linmin: converged after 17 iterations. - iteration 962: trace = 2.451789717437777 (2.68945e-07% change) - linmin: converged after 3 iterations. - iteration 963: trace = 2.451789710619834 (2.7808e-07% change) - linmin: converged after 3 iterations. - iteration 964: trace = 2.451789708627269 (8.12698e-08% change) - linmin: converged after 2 iterations. - iteration 965: trace = 2.451789704819428 (1.55309e-07% change) - linmin: converged after 2 iterations. - iteration 966: trace = 2.451789700866408 (1.6123e-07% change) - linmin: converged after 2 iterations. - iteration 967: trace = 2.451789699702646 (4.74658e-08% change) - large trace change predicted (1.65908e-07%) - linmin: converged after 9 iterations. - iteration 968: trace = 2.451789695634835 (1.65912e-07% change) + iteration 1347: trace = 2.451789427929653 (4.34792e-09% change) + linmin: converged after 23 iterations. + iteration 1348: trace = 2.451789427896418 (1.35557e-09% change) + large trace change predicted (4.23926e-09%) + linmin: converged after 22 iterations. + iteration 1349: trace = 2.451789427792482 (4.23919e-09% change) linmin: converged after 18 iterations. - iteration 969: trace = 2.451789692516184 (1.27199e-07% change) - linmin: converged after 12 iterations. - iteration 970: trace = 2.45178969012336 (9.7595e-08% change) - linmin: converged after 4 iterations. - iteration 971: trace = 2.451789687186673 (1.19777e-07% change) - linmin: converged after 4 iterations. - iteration 972: trace = 2.451789684013402 (1.29427e-07% change) - linmin: converged after 4 iterations. - iteration 973: trace = 2.451789683230611 (3.19273e-08% change) - large trace change predicted (1.54432e-07%) - linmin: converged after 4 iterations. - iteration 974: trace = 2.451789679444196 (1.54435e-07% change) - linmin: converged after 4 iterations. - iteration 975: trace = 2.4517896774956 (7.94765e-08% change) + iteration 1350: trace = 2.45178942772054 (2.93427e-09% change) + linmin: converged after 21 iterations. + iteration 1351: trace = 2.451789427675024 (1.85642e-09% change) linmin: converged after 4 iterations. - iteration 976: trace = 2.451789676277236 (4.96928e-08% change) - large trace change predicted (1.45095e-07%) - linmin: converged after 7 iterations. - iteration 977: trace = 2.45178967271978 (1.45096e-07% change) - linmin: converged after 3 iterations. - iteration 978: trace = 2.451789668089779 (1.88842e-07% change) - linmin: converged after 3 iterations. - iteration 979: trace = 2.451789661871158 (2.53636e-07% change) - resetting CG direction... + iteration 1352: trace = 2.451789427632063 (1.75224e-09% change) linmin: converged after 4 iterations. - iteration 980: trace = 2.451789655978992 (2.40321e-07% change) - linmin: converged after 7 iterations. - iteration 981: trace = 2.451789651840893 (1.68779e-07% change) - linmin: converged after 7 iterations. - iteration 982: trace = 2.451789648976571 (1.16826e-07% change) - linmin: converged after 2 iterations. - iteration 983: trace = 2.451789647470846 (6.14133e-08% change) + iteration 1353: trace = 2.451789427584964 (1.92101e-09% change) linmin: converged after 3 iterations. - iteration 984: trace = 2.45178964574123 (7.0545e-08% change) + iteration 1354: trace = 2.45178942756874 (6.61699e-10% change) linmin: converged after 3 iterations. - iteration 985: trace = 2.451789643545518 (8.95555e-08% change) - linmin: converged after 3 iterations. - iteration 986: trace = 2.451789642173499 (5.59599e-08% change) - large trace change predicted (1.1649e-07%) + iteration 1355: trace = 2.451789427544422 (9.9186e-10% change) + linmin: converged after 14 iterations. + iteration 1356: trace = 2.451789427501905 (1.73413e-09% change) + linmin: converged after 6 iterations. + iteration 1357: trace = 2.451789427466005 (1.46423e-09% change) + linmin: converged after 12 iterations. + iteration 1358: trace = 2.451789427453827 (4.96709e-10% change) + large trace change predicted (1.36698e-09%) linmin: converged after 4 iterations. - iteration 987: trace = 2.451789639317437 (1.16489e-07% change) + iteration 1359: trace = 2.45178942742031 (1.36705e-09% change) + linmin: converged after 5 iterations. + iteration 1360: trace = 2.451789427385573 (1.41677e-09% change) + linmin: converged after 5 iterations. + iteration 1361: trace = 2.451789427357479 (1.14586e-09% change) + large trace change predicted (3.33417e-09%) linmin: converged after 25 iterations. - iteration 988: trace = 2.451789637814333 (6.13064e-08% change) - linmin: converged after 19 iterations. - iteration 989: trace = 2.451789635294094 (1.02792e-07% change) - linmin: converged after 3 iterations. - iteration 990: trace = 2.451789632940412 (9.59985e-08% change) - linmin: converged after 3 iterations. - iteration 991: trace = 2.451789631620998 (5.38143e-08% change) + iteration 1362: trace = 2.451789427275729 (3.33432e-09% change) linmin: converged after 9 iterations. - iteration 992: trace = 2.451789629097917 (1.02908e-07% change) + iteration 1363: trace = 2.451789427144262 (5.36206e-09% change) linmin: converged after 4 iterations. - iteration 993: trace = 2.451789626085564 (1.22863e-07% change) + iteration 1364: trace = 2.451789427049158 (3.879e-09% change) linmin: converged after 6 iterations. - iteration 994: trace = 2.451789624882579 (4.90656e-08% change) - linmin: converged after 3 iterations. - iteration 995: trace = 2.451789622540261 (9.5535e-08% change) - large trace change predicted (1.9429e-07%) - linmin: converged after 29 iterations. - iteration 996: trace = 2.451789617776852 (1.94283e-07% change) - linmin: converged after 4 iterations. - iteration 997: trace = 2.451789615236879 (1.03597e-07% change) + iteration 1365: trace = 2.45178942699537 (2.19379e-09% change) + large trace change predicted (7.25619e-09%) linmin: converged after 5 iterations. - iteration 998: trace = 2.451789612509987 (1.1122e-07% change) - linmin: converged after 21 iterations. - iteration 999: trace = 2.451789609317619 (1.30206e-07% change) - linmin: converged after 9 iterations. - iteration 1000: trace = 2.451789607475173 (7.5147e-08% change) - linmin: converged after 3 iterations. - iteration 1001: trace = 2.451789605338165 (8.71612e-08% change) - linmin: converged after 4 iterations. - iteration 1002: trace = 2.451789602775535 (1.04521e-07% change) - linmin: converged after 4 iterations. - iteration 1003: trace = 2.451789602225163 (2.24477e-08% change) - linmin: converged after 14 iterations. - iteration 1004: trace = 2.451789601429678 (3.24451e-08% change) - linmin: converged after 33 iterations. - iteration 1005: trace = 2.45178960062488 (3.28249e-08% change) - linmin: converged after 17 iterations. - iteration 1006: trace = 2.451789600019859 (2.46767e-08% change) - linmin: converged after 7 iterations. - iteration 1007: trace = 2.4517895991516 (3.54133e-08% change) - linmin: converged after 2 iterations. - iteration 1008: trace = 2.451789597882093 (5.17788e-08% change) - linmin: converged after 10 iterations. - iteration 1009: trace = 2.451789596104106 (7.25179e-08% change) - linmin: converged after 4 iterations. - iteration 1010: trace = 2.451789594545208 (6.35821e-08% change) - large trace change predicted (1.67227e-07%) + iteration 1366: trace = 2.451789426817466 (7.25612e-09% change) linmin: converged after 5 iterations. - iteration 1011: trace = 2.451789590444923 (1.67236e-07% change) - linmin: converged after 25 iterations. - iteration 1012: trace = 2.45178958769409 (1.12197e-07% change) - linmin: converged after 14 iterations. - iteration 1013: trace = 2.45178958573254 (8.00049e-08% change) - linmin: converged after 18 iterations. - iteration 1014: trace = 2.451789583208535 (1.02945e-07% change) - linmin: converged after 10 iterations. - iteration 1015: trace = 2.451789580460516 (1.12082e-07% change) - linmin: converged after 3 iterations. - iteration 1016: trace = 2.451789579475492 (4.01757e-08% change) - large trace change predicted (1.2567e-07%) - linmin: converged after 4 iterations. - iteration 1017: trace = 2.451789576394273 (1.25672e-07% change) - linmin: converged after 13 iterations. - iteration 1018: trace = 2.451789574570138 (7.44001e-08% change) - linmin: converged after 2 iterations. - iteration 1019: trace = 2.451789573720643 (3.4648e-08% change) + iteration 1367: trace = 2.45178942674225 (3.06779e-09% change) + linmin: converged after 17 iterations. + iteration 1368: trace = 2.451789426719297 (9.36163e-10% change) + linmin: converged after 11 iterations. + iteration 1369: trace = 2.451789426681818 (1.52863e-09% change) linmin: converged after 8 iterations. - iteration 1020: trace = 2.451789572508435 (4.94418e-08% change) - linmin: converged after 2 iterations. - iteration 1021: trace = 2.451789571573996 (3.81125e-08% change) - linmin: converged after 3 iterations. - iteration 1022: trace = 2.451789571273923 (1.22389e-08% change) - linmin: converged after 4 iterations. - iteration 1023: trace = 2.451789570750298 (2.13568e-08% change) - linmin: converged after 4 iterations. - iteration 1024: trace = 2.451789570126833 (2.5429e-08% change) - linmin: converged after 6 iterations. - iteration 1025: trace = 2.451789569776392 (1.42933e-08% change) - large trace change predicted (5.94042e-08%) - linmin: converged after 6 iterations. - iteration 1026: trace = 2.451789568319939 (5.94037e-08% change) + iteration 1370: trace = 2.45178942664439 (1.52657e-09% change) + linmin: converged after 28 iterations. + iteration 1371: trace = 2.451789426632817 (4.72003e-10% change) + large trace change predicted (1.54074e-09%) + linmin: converged after 16 iterations. + iteration 1372: trace = 2.451789426595045 (1.54061e-09% change) linmin: converged after 3 iterations. - iteration 1027: trace = 2.451789567457952 (3.51575e-08% change) - linmin: converged after 4 iterations. - iteration 1028: trace = 2.451789566347172 (4.53048e-08% change) + iteration 1373: trace = 2.451789426569714 (1.03314e-09% change) linmin: converged after 3 iterations. - iteration 1029: trace = 2.451789564307751 (8.31809e-08% change) + iteration 1374: trace = 2.451789426554658 (6.14117e-10% change) + large trace change predicted (2.05108e-09%) linmin: converged after 8 iterations. - iteration 1030: trace = 2.451789561996814 (9.42551e-08% change) - linmin: converged after 6 iterations. - iteration 1031: trace = 2.451789560545204 (5.92061e-08% change) - linmin: converged after 3 iterations. - iteration 1032: trace = 2.451789558445644 (8.56338e-08% change) - linmin: converged after 4 iterations. - iteration 1033: trace = 2.451789556752543 (6.90557e-08% change) - linmin: converged after 2 iterations. - iteration 1034: trace = 2.451789555747037 (4.10111e-08% change) + iteration 1375: trace = 2.45178942650437 (2.05106e-09% change) linmin: converged after 8 iterations. - iteration 1035: trace = 2.4517895541325 (6.58514e-08% change) - linmin: converged after 4 iterations. - iteration 1036: trace = 2.451789552990859 (4.65636e-08% change) - linmin: converged after 10 iterations. - iteration 1037: trace = 2.451789552597349 (1.60499e-08% change) - linmin: converged after 4 iterations. - iteration 1038: trace = 2.451789551828049 (3.13771e-08% change) - linmin: converged after 11 iterations. - iteration 1039: trace = 2.451789550596152 (5.02448e-08% change) - linmin: converged after 4 iterations. - iteration 1040: trace = 2.451789550296945 (1.22036e-08% change) - large trace change predicted (4.1411e-08%) - linmin: converged after 3 iterations. - iteration 1041: trace = 2.451789549281639 (4.14108e-08% change) - linmin: converged after 4 iterations. - iteration 1042: trace = 2.451789548760959 (2.12367e-08% change) - linmin: converged after 3 iterations. - iteration 1043: trace = 2.451789548535636 (9.19014e-09% change) - large trace change predicted (2.14469e-08%) - linmin: converged after 2 iterations. - iteration 1044: trace = 2.451789548009803 (2.14469e-08% change) - linmin: converged after 3 iterations. - iteration 1045: trace = 2.45178954741993 (2.40589e-08% change) - linmin: converged after 4 iterations. - iteration 1046: trace = 2.451789547097788 (1.31391e-08% change) - large trace change predicted (3.00318e-08%) - linmin: converged after 25 iterations. - iteration 1047: trace = 2.451789546361467 (3.0032e-08% change) - linmin: converged after 2 iterations. - iteration 1048: trace = 2.45178954531799 (4.25598e-08% change) - linmin: converged after 4 iterations. - iteration 1049: trace = 2.45178954503696 (1.14622e-08% change) - resetting CG direction... - linmin: converged after 3 iterations. - iteration 1050: trace = 2.451789544764952 (1.10943e-08% change) - large trace change predicted (3.87873e-08%) - linmin: converged after 2 iterations. - iteration 1051: trace = 2.451789543813969 (3.87873e-08% change) - linmin: converged after 4 iterations. - iteration 1052: trace = 2.451789543334399 (1.956e-08% change) - linmin: converged after 3 iterations. - iteration 1053: trace = 2.451789542889757 (1.81354e-08% change) - linmin: converged after 3 iterations. - iteration 1054: trace = 2.451789542213203 (2.75943e-08% change) - linmin: converged after 2 iterations. - iteration 1055: trace = 2.451789541731634 (1.96415e-08% change) - linmin: converged after 4 iterations. - iteration 1056: trace = 2.451789541525542 (8.4058e-09% change) - large trace change predicted (2.13722e-08%) + iteration 1376: trace = 2.451789426479702 (1.0061e-09% change) + linmin: converged after 5 iterations. + iteration 1377: trace = 2.451789426449031 (1.25098e-09% change) linmin: converged after 7 iterations. - iteration 1057: trace = 2.451789541001534 (2.13725e-08% change) - linmin: converged after 10 iterations. - iteration 1058: trace = 2.451789540308194 (2.82789e-08% change) - linmin: converged after 10 iterations. - iteration 1059: trace = 2.451789539845627 (1.88665e-08% change) - large trace change predicted (4.14182e-08%) - linmin: converged after 6 iterations. - iteration 1060: trace = 2.451789538830124 (4.14188e-08% change) - linmin: converged after 29 iterations. - iteration 1061: trace = 2.451789538384306 (1.81834e-08% change) - linmin: converged after 17 iterations. - iteration 1062: trace = 2.45178953783625 (2.23533e-08% change) - linmin: converged after 4 iterations. - iteration 1063: trace = 2.451789536758813 (4.39449e-08% change) + iteration 1378: trace = 2.45178942641808 (1.26239e-09% change) + linmin: converged after 28 iterations. + iteration 1379: trace = 2.451789426356656 (2.50526e-09% change) + linmin: converged after 5 iterations. + iteration 1380: trace = 2.451789426336628 (8.1689e-10% change) + large trace change predicted (3.99145e-09%) linmin: converged after 4 iterations. - iteration 1064: trace = 2.451789536364786 (1.6071e-08% change) - large trace change predicted (5.01252e-08%) + iteration 1381: trace = 2.451789426238765 (3.99146e-09% change) + linmin: converged after 6 iterations. + iteration 1382: trace = 2.451789426198955 (1.62375e-09% change) + large trace change predicted (3.47167e-09%) linmin: converged after 4 iterations. - iteration 1065: trace = 2.451789535135801 (5.0126e-08% change) - linmin: converged after 11 iterations. - iteration 1066: trace = 2.451789533249406 (7.69395e-08% change) + iteration 1383: trace = 2.451789426113835 (3.47175e-09% change) + linmin: converged after 20 iterations. + iteration 1384: trace = 2.451789426024271 (3.653e-09% change) linmin: converged after 4 iterations. - iteration 1067: trace = 2.45178953210343 (4.67404e-08% change) + iteration 1385: trace = 2.451789425971286 (2.16105e-09% change) + linmin: converged after 6 iterations. + iteration 1386: trace = 2.451789425928958 (1.72645e-09% change) linmin: converged after 4 iterations. - iteration 1068: trace = 2.451789531377887 (2.95924e-08% change) - large trace change predicted (8.92514e-08%) - linmin: converged after 10 iterations. - iteration 1069: trace = 2.451789529189583 (8.92533e-08% change) + iteration 1387: trace = 2.451789425859552 (2.8308e-09% change) linmin: converged after 2 iterations. - iteration 1070: trace = 2.451789528090198 (4.48401e-08% change) + iteration 1388: trace = 2.451789425808778 (2.07092e-09% change) linmin: converged after 4 iterations. - iteration 1071: trace = 2.451789527504516 (2.38879e-08% change) - large trace change predicted (6.50385e-08%) - linmin: converged after 9 iterations. - iteration 1072: trace = 2.451789525909891 (6.50392e-08% change) - linmin: converged after 3 iterations. - iteration 1073: trace = 2.451789525135385 (3.15894e-08% change) + iteration 1389: trace = 2.451789425797021 (4.79538e-10% change) + large trace change predicted (1.4383e-09%) + linmin: converged after 18 iterations. + iteration 1390: trace = 2.451789425761756 (1.43832e-09% change) + linmin: converged after 15 iterations. + iteration 1391: trace = 2.451789425710835 (2.07687e-09% change) linmin: converged after 4 iterations. - iteration 1074: trace = 2.451789524717338 (1.70507e-08% change) - linmin: converged after 9 iterations. - iteration 1075: trace = 2.451789524118881 (2.4409e-08% change) + iteration 1392: trace = 2.451789425696298 (5.92925e-10% change) + large trace change predicted (2.75769e-09%) linmin: converged after 9 iterations. - iteration 1076: trace = 2.451789523747809 (1.51347e-08% change) - linmin: converged after 28 iterations. - iteration 1077: trace = 2.451789523403682 (1.40358e-08% change) - linmin: converged after 4 iterations. - iteration 1078: trace = 2.451789522973627 (1.75404e-08% change) - linmin: converged after 4 iterations. - iteration 1079: trace = 2.451789522135468 (3.41856e-08% change) - linmin: converged after 6 iterations. - iteration 1080: trace = 2.451789521404868 (2.97986e-08% change) + iteration 1393: trace = 2.451789425628681 (2.75785e-09% change) + linmin: converged after 19 iterations. + iteration 1394: trace = 2.451789425570603 (2.36884e-09% change) linmin: converged after 10 iterations. - iteration 1081: trace = 2.451789520472709 (3.80195e-08% change) - large trace change predicted (8.04058e-08%) - linmin: converged after 7 iterations. - iteration 1082: trace = 2.451789518501348 (8.0405e-08% change) - linmin: converged after 2 iterations. - iteration 1083: trace = 2.451789517822708 (2.76794e-08% change) - large trace change predicted (5.94225e-08%) - linmin: converged after 4 iterations. - iteration 1084: trace = 2.451789516365803 (5.94221e-08% change) - linmin: converged after 4 iterations. - iteration 1085: trace = 2.451789514886395 (6.03399e-08% change) - linmin: converged after 3 iterations. - iteration 1086: trace = 2.451789513840043 (4.26771e-08% change) - linmin: converged after 4 iterations. - iteration 1087: trace = 2.451789512361514 (6.03041e-08% change) - linmin: converged after 4 iterations. - iteration 1088: trace = 2.451789510120203 (9.14153e-08% change) - linmin: converged after 4 iterations. - iteration 1089: trace = 2.451789509586878 (2.17525e-08% change) - large trace change predicted (4.46714e-08%) - linmin: converged after 7 iterations. - iteration 1090: trace = 2.451789508491644 (4.46708e-08% change) + iteration 1395: trace = 2.45178942554015 (1.24204e-09% change) + linmin: converged after 14 iterations. + iteration 1396: trace = 2.451789425490363 (2.03065e-09% change) + linmin: converged after 15 iterations. + iteration 1397: trace = 2.451789425408661 (3.33233e-09% change) linmin: converged after 4 iterations. - iteration 1091: trace = 2.451789507833981 (2.68238e-08% change) + iteration 1398: trace = 2.451789425341569 (2.73645e-09% change) + linmin: converged after 20 iterations. + iteration 1399: trace = 2.451789425293363 (1.96615e-09% change) + resetting CG direction... linmin: converged after 4 iterations. - iteration 1092: trace = 2.451789507554888 (1.13832e-08% change) + iteration 1400: trace = 2.451789425248406 (1.83367e-09% change) linmin: converged after 4 iterations. - iteration 1093: trace = 2.451789507161801 (1.60327e-08% change) - linmin: converged after 3 iterations. - iteration 1094: trace = 2.451789506798649 (1.48117e-08% change) - linmin: converged after 2 iterations. - iteration 1095: trace = 2.451789506329276 (1.91441e-08% change) - linmin: converged after 4 iterations. - iteration 1096: trace = 2.451789506109167 (8.97748e-09% change) - large trace change predicted (4.59958e-08%) + iteration 1401: trace = 2.451789425192281 (2.28912e-09% change) linmin: converged after 8 iterations. - iteration 1097: trace = 2.451789504981427 (4.59966e-08% change) - linmin: converged after 3 iterations. - iteration 1098: trace = 2.45178950474344 (9.70666e-09% change) - large trace change predicted (6.06069e-08%) - linmin: converged after 19 iterations. - iteration 1099: trace = 2.45178950325744 (6.06088e-08% change) - linmin: converged after 20 iterations. - iteration 1100: trace = 2.451789502095743 (4.73816e-08% change) + iteration 1402: trace = 2.451789425120347 (2.93394e-09% change) + linmin: converged after 9 iterations. + iteration 1403: trace = 2.451789425082001 (1.56399e-09% change) linmin: converged after 4 iterations. - iteration 1101: trace = 2.451789501405261 (2.81623e-08% change) - large trace change predicted (6.9544e-08%) - linmin: converged after 22 iterations. - iteration 1102: trace = 2.451789499700134 (6.95462e-08% change) - linmin: converged after 20 iterations. - iteration 1103: trace = 2.451789497841726 (7.5798e-08% change) + iteration 1404: trace = 2.451789425046806 (1.43552e-09% change) + linmin: converged after 19 iterations. + iteration 1405: trace = 2.451789424997501 (2.01098e-09% change) + linmin: converged after 12 iterations. + iteration 1406: trace = 2.451789424970275 (1.11045e-09% change) linmin: converged after 4 iterations. - iteration 1104: trace = 2.451789497378323 (1.89006e-08% change) - large trace change predicted (3.90832e-08%) + iteration 1407: trace = 2.451789424933198 (1.51224e-09% change) + linmin: converged after 8 iterations. + iteration 1408: trace = 2.451789424896712 (1.48813e-09% change) linmin: converged after 4 iterations. - iteration 1105: trace = 2.451789496420082 (3.90833e-08% change) + iteration 1409: trace = 2.4517894248877 (3.67546e-10% change) + large trace change predicted (8.21922e-10%) linmin: converged after 6 iterations. - iteration 1106: trace = 2.451789495353078 (4.35194e-08% change) + iteration 1410: trace = 2.451789424867549 (8.21907e-10% change) linmin: converged after 4 iterations. - iteration 1107: trace = 2.451789494381687 (3.96197e-08% change) - linmin: converged after 26 iterations. - iteration 1108: trace = 2.45178949397928 (1.64128e-08% change) + iteration 1411: trace = 2.451789424839336 (1.15069e-09% change) linmin: converged after 4 iterations. - iteration 1109: trace = 2.451789493224568 (3.07821e-08% change) - linmin: converged after 3 iterations. - iteration 1110: trace = 2.451789492080667 (4.66557e-08% change) - linmin: converged after 7 iterations. - iteration 1111: trace = 2.451789491803318 (1.13121e-08% change) - large trace change predicted (3.89193e-08%) - linmin: converged after 4 iterations. - iteration 1112: trace = 2.451789490849095 (3.89195e-08% change) + iteration 1412: trace = 2.451789424816452 (9.33356e-10% change) linmin: converged after 6 iterations. - iteration 1113: trace = 2.451789490467708 (1.55555e-08% change) - linmin: converged after 22 iterations. - iteration 1114: trace = 2.451789489721389 (3.04397e-08% change) - linmin: converged after 36 iterations. - iteration 1115: trace = 2.451789489126382 (2.42683e-08% change) - linmin: converged after 3 iterations. - iteration 1116: trace = 2.451789488459372 (2.7205e-08% change) - linmin: converged after 32 iterations. - iteration 1117: trace = 2.451789488058363 (1.63558e-08% change) - large trace change predicted (5.87847e-08%) - linmin: converged after 3 iterations. - iteration 1118: trace = 2.451789486617093 (5.87844e-08% change) - large trace change predicted (1.4183e-07%) - linmin: converged after 13 iterations. - iteration 1119: trace = 2.451789483139668 (1.41832e-07% change) - resetting CG direction... - linmin: converged after 13 iterations. - iteration 1120: trace = 2.451789480630685 (1.02333e-07% change) - linmin: converged after 2 iterations. - iteration 1121: trace = 2.451789478983771 (6.71719e-08% change) - linmin: converged after 36 iterations. - iteration 1122: trace = 2.451789478350402 (2.58329e-08% change) - linmin: converged after 4 iterations. - iteration 1123: trace = 2.451789477962928 (1.58037e-08% change) - linmin: converged after 29 iterations. - iteration 1124: trace = 2.451789477373786 (2.4029e-08% change) - linmin: converged after 4 iterations. - iteration 1125: trace = 2.451789476805078 (2.31957e-08% change) - linmin: converged after 17 iterations. - iteration 1126: trace = 2.45178947662315 (7.42022e-09% change) - large trace change predicted (3.2743e-08%) - linmin: converged after 4 iterations. - iteration 1127: trace = 2.451789475820365 (3.27428e-08% change) - linmin: converged after 4 iterations. - iteration 1128: trace = 2.45178947564654 (7.08972e-09% change) - large trace change predicted (3.14492e-08%) + iteration 1413: trace = 2.451789424780308 (1.47422e-09% change) linmin: converged after 6 iterations. - iteration 1129: trace = 2.451789474875475 (3.14491e-08% change) + iteration 1414: trace = 2.451789424722993 (2.33768e-09% change) + linmin: converged after 4 iterations. + iteration 1415: trace = 2.451789424707016 (6.51646e-10% change) + large trace change predicted (2.23657e-09%) + linmin: converged after 8 iterations. + iteration 1416: trace = 2.451789424652179 (2.23659e-09% change) linmin: converged after 6 iterations. - iteration 1130: trace = 2.451789474248778 (2.55608e-08% change) + iteration 1417: trace = 2.451789424595905 (2.29523e-09% change) linmin: converged after 13 iterations. - iteration 1131: trace = 2.451789474036201 (8.67028e-09% change) - large trace change predicted (3.17825e-08%) - linmin: converged after 6 iterations. - iteration 1132: trace = 2.451789473256964 (3.17824e-08% change) - linmin: converged after 4 iterations. - iteration 1133: trace = 2.451789472520535 (3.00364e-08% change) - linmin: converged after 2 iterations. - iteration 1134: trace = 2.451789471871875 (2.64566e-08% change) - linmin: converged after 29 iterations. - iteration 1135: trace = 2.451789471526069 (1.41042e-08% change) - large trace change predicted (3.80841e-08%) - linmin: converged after 3 iterations. - iteration 1136: trace = 2.45178947059233 (3.8084e-08% change) - linmin: converged after 4 iterations. - iteration 1137: trace = 2.451789469664519 (3.78422e-08% change) + iteration 1418: trace = 2.451789424578338 (7.16509e-10% change) + large trace change predicted (2.15075e-09%) linmin: converged after 11 iterations. - iteration 1138: trace = 2.451789469091507 (2.33712e-08% change) - linmin: converged after 6 iterations. - iteration 1139: trace = 2.451789468374256 (2.92542e-08% change) - linmin: converged after 4 iterations. - iteration 1140: trace = 2.451789467590034 (3.19857e-08% change) - linmin: converged after 3 iterations. - iteration 1141: trace = 2.451789467339994 (1.01982e-08% change) - large trace change predicted (2.61253e-08%) - linmin: converged after 17 iterations. - iteration 1142: trace = 2.45178946669946 (2.61252e-08% change) + iteration 1419: trace = 2.451789424525606 (2.15072e-09% change) linmin: converged after 2 iterations. - iteration 1143: trace = 2.451789466498957 (8.17785e-09% change) - linmin: converged after 4 iterations. - iteration 1144: trace = 2.451789466325133 (7.08966e-09% change) - linmin: converged after 4 iterations. - iteration 1145: trace = 2.451789466134469 (7.77652e-09% change) - linmin: converged after 4 iterations. - iteration 1146: trace = 2.451789465902062 (9.47908e-09% change) - linmin: converged after 4 iterations. - iteration 1147: trace = 2.451789465794777 (4.3758e-09% change) - large trace change predicted (1.37995e-08%) - linmin: converged after 5 iterations. - iteration 1148: trace = 2.451789465456438 (1.37997e-08% change) - linmin: converged after 22 iterations. - iteration 1149: trace = 2.451789465165677 (1.18591e-08% change) - linmin: converged after 4 iterations. - iteration 1150: trace = 2.451789464751201 (1.6905e-08% change) - large trace change predicted (4.12834e-08%) - linmin: converged after 20 iterations. - iteration 1151: trace = 2.451789463738994 (4.12844e-08% change) - linmin: converged after 4 iterations. - iteration 1152: trace = 2.451789463523387 (8.79385e-09% change) - large trace change predicted (4.27125e-08%) - linmin: converged after 7 iterations. - iteration 1153: trace = 2.451789462476134 (4.27138e-08% change) - linmin: converged after 4 iterations. - iteration 1154: trace = 2.451789461864873 (2.49312e-08% change) - linmin: converged after 33 iterations. - iteration 1155: trace = 2.451789461204659 (2.69278e-08% change) - linmin: converged after 4 iterations. - iteration 1156: trace = 2.451789460935516 (1.09774e-08% change) - large trace change predicted (3.16184e-08%) - linmin: converged after 16 iterations. - iteration 1157: trace = 2.451789460160291 (3.16188e-08% change) - linmin: converged after 26 iterations. - iteration 1158: trace = 2.451789459934806 (9.19675e-09% change) - large trace change predicted (1.87064e-08%) - linmin: converged after 4 iterations. - iteration 1159: trace = 2.451789459476167 (1.87063e-08% change) - linmin: converged after 4 iterations. - iteration 1160: trace = 2.451789459151386 (1.32467e-08% change) - linmin: converged after 21 iterations. - iteration 1161: trace = 2.451789458887798 (1.07508e-08% change) - linmin: converged after 16 iterations. - iteration 1162: trace = 2.451789458797393 (3.68731e-09% change) + iteration 1420: trace = 2.451789424490962 (1.41302e-09% change) + linmin: converged after 17 iterations. + iteration 1421: trace = 2.451789424466727 (9.88455e-10% change) linmin: converged after 2 iterations. - iteration 1163: trace = 2.451789458716712 (3.29071e-09% change) - large trace change predicted (8.21454e-09%) - linmin: converged after 4 iterations. - iteration 1164: trace = 2.451789458515308 (8.21456e-09% change) - linmin: converged after 28 iterations. - iteration 1165: trace = 2.451789458457315 (2.36532e-09% change) - large trace change predicted (1.35978e-08%) + iteration 1422: trace = 2.451789424444576 (9.0347e-10% change) linmin: converged after 4 iterations. - iteration 1166: trace = 2.451789458123929 (1.35977e-08% change) + iteration 1423: trace = 2.451789424409928 (1.41317e-09% change) linmin: converged after 2 iterations. - iteration 1167: trace = 2.45178945783701 (1.17024e-08% change) - linmin: converged after 4 iterations. - iteration 1168: trace = 2.451789457609028 (9.2986e-09% change) - large trace change predicted (1.97294e-08%) - linmin: converged after 7 iterations. - iteration 1169: trace = 2.451789457125304 (1.97294e-08% change) - linmin: converged after 6 iterations. - iteration 1170: trace = 2.451789456375531 (3.05806e-08% change) - linmin: converged after 25 iterations. - iteration 1171: trace = 2.451789456195479 (7.34371e-09% change) - large trace change predicted (2.14775e-08%) - linmin: converged after 4 iterations. - iteration 1172: trace = 2.451789455668895 (2.14775e-08% change) - linmin: converged after 14 iterations. - iteration 1173: trace = 2.451789455137738 (2.16641e-08% change) - linmin: converged after 4 iterations. - iteration 1174: trace = 2.451789454982709 (6.32313e-09% change) - large trace change predicted (1.54635e-08%) - linmin: converged after 3 iterations. - iteration 1175: trace = 2.451789454603575 (1.54635e-08% change) + iteration 1424: trace = 2.451789424404171 (2.34815e-10% change) + large trace change predicted (9.83894e-10%) + linmin: converged after 15 iterations. + iteration 1425: trace = 2.45178942438005 (9.83836e-10% change) linmin: converged after 3 iterations. - iteration 1176: trace = 2.451789454303246 (1.22494e-08% change) - linmin: converged after 21 iterations. - iteration 1177: trace = 2.451789454212239 (3.71187e-09% change) - large trace change predicted (8.45974e-09%) - linmin: converged after 4 iterations. - iteration 1178: trace = 2.451789454004825 (8.4597e-09% change) - linmin: converged after 4 iterations. - iteration 1179: trace = 2.451789453753912 (1.02339e-08% change) + iteration 1426: trace = 2.45178942436483 (6.20746e-10% change) linmin: converged after 18 iterations. - iteration 1180: trace = 2.451789453664577 (3.64367e-09% change) - large trace change predicted (9.73272e-09%) - linmin: converged after 23 iterations. - iteration 1181: trace = 2.451789453425953 (9.73266e-09% change) - linmin: converged after 3 iterations. - iteration 1182: trace = 2.451789453270331 (6.34725e-09% change) - linmin: converged after 3 iterations. - iteration 1183: trace = 2.451789453209195 (2.49353e-09% change) - linmin: converged after 4 iterations. - iteration 1184: trace = 2.451789453100968 (4.41423e-09% change) - linmin: converged after 3 iterations. - iteration 1185: trace = 2.45178945293042 (6.95604e-09% change) - linmin: converged after 15 iterations. - iteration 1186: trace = 2.451789452865569 (2.64506e-09% change) - large trace change predicted (6.84024e-09%) + iteration 1427: trace = 2.45178942435481 (4.08699e-10% change) linmin: converged after 2 iterations. - iteration 1187: trace = 2.451789452697859 (6.84029e-09% change) - linmin: converged after 17 iterations. - iteration 1188: trace = 2.451789452451036 (1.00671e-08% change) - linmin: converged after 5 iterations. - iteration 1189: trace = 2.451789452391796 (2.41622e-09% change) - resetting CG direction... - linmin: converged after 18 iterations. - iteration 1190: trace = 2.451789452334151 (2.35112e-09% change) - large trace change predicted (9.16378e-09%) - linmin: converged after 3 iterations. - iteration 1191: trace = 2.451789452109475 (9.16375e-09% change) - linmin: converged after 15 iterations. - iteration 1192: trace = 2.451789451950074 (6.50145e-09% change) - linmin: converged after 31 iterations. - iteration 1193: trace = 2.451789451879825 (2.8652e-09% change) - large trace change predicted (6.53685e-09%) + iteration 1428: trace = 2.451789424342393 (5.06417e-10% change) linmin: converged after 4 iterations. - iteration 1194: trace = 2.451789451719554 (6.53691e-09% change) - linmin: converged after 10 iterations. - iteration 1195: trace = 2.45178945160773 (4.56089e-09% change) - linmin: converged after 18 iterations. - iteration 1196: trace = 2.451789451553128 (2.22703e-09% change) - large trace change predicted (5.65989e-09%) - linmin: converged after 26 iterations. - iteration 1197: trace = 2.45178945141436 (5.65985e-09% change) - linmin: converged after 19 iterations. - iteration 1198: trace = 2.451789451241763 (7.03964e-09% change) + iteration 1429: trace = 2.451789424327985 (5.87672e-10% change) linmin: converged after 4 iterations. - iteration 1199: trace = 2.451789451126908 (4.68457e-09% change) - large trace change predicted (9.36931e-09%) + iteration 1430: trace = 2.451789424317377 (4.32662e-10% change) linmin: converged after 8 iterations. - iteration 1200: trace = 2.45178945089719 (9.3694e-09% change) - linmin: converged after 26 iterations. - iteration 1201: trace = 2.451789450723077 (7.10144e-09% change) - linmin: converged after 5 iterations. - iteration 1202: trace = 2.451789450640961 (3.34923e-09% change) - large trace change predicted (1.11309e-08%) - linmin: converged after 4 iterations. - iteration 1203: trace = 2.451789450368054 (1.1131e-08% change) - linmin: converged after 4 iterations. - iteration 1204: trace = 2.45178945005646 (1.27088e-08% change) - linmin: converged after 22 iterations. - iteration 1205: trace = 2.451789449939653 (4.76417e-09% change) - large trace change predicted (1.8365e-08%) - linmin: converged after 10 iterations. - iteration 1206: trace = 2.451789449489383 (1.83649e-08% change) - linmin: converged after 4 iterations. - iteration 1207: trace = 2.451789449160268 (1.34235e-08% change) - linmin: converged after 26 iterations. - iteration 1208: trace = 2.451789449004344 (6.35961e-09% change) - large trace change predicted (2.29834e-08%) - linmin: converged after 4 iterations. - iteration 1209: trace = 2.451789448440838 (2.29835e-08% change) - linmin: converged after 12 iterations. - iteration 1210: trace = 2.45178944813881 (1.23187e-08% change) - linmin: converged after 15 iterations. - iteration 1211: trace = 2.451789447946779 (7.83229e-09% change) - linmin: converged after 4 iterations. - iteration 1212: trace = 2.451789447651878 (1.2028e-08% change) - linmin: converged after 4 iterations. - iteration 1213: trace = 2.451789447408313 (9.93416e-09% change) - linmin: converged after 18 iterations. - iteration 1214: trace = 2.45178944736742 (1.66789e-09% change) - large trace change predicted (5.24522e-09%) - linmin: converged after 15 iterations. - iteration 1215: trace = 2.451789447238819 (5.24519e-09% change) - linmin: converged after 19 iterations. - iteration 1216: trace = 2.451789447156592 (3.35376e-09% change) - linmin: converged after 26 iterations. - iteration 1217: trace = 2.45178944711895 (1.5353e-09% change) - large trace change predicted (6.89067e-09%) - linmin: converged after 24 iterations. - iteration 1218: trace = 2.451789446950006 (6.89064e-09% change) - linmin: converged after 7 iterations. - iteration 1219: trace = 2.451789446732954 (8.85277e-09% change) - linmin: converged after 2 iterations. - iteration 1220: trace = 2.451789446535058 (8.07151e-09% change) - linmin: converged after 24 iterations. - iteration 1221: trace = 2.451789446293877 (9.83693e-09% change) - linmin: converged after 3 iterations. - iteration 1222: trace = 2.451789445815967 (1.94923e-08% change) + iteration 1431: trace = 2.451789424302469 (6.08031e-10% change) + large trace change predicted (1.8507e-09%) linmin: converged after 6 iterations. - iteration 1223: trace = 2.451789445384576 (1.7595e-08% change) - linmin: converged after 24 iterations. - iteration 1224: trace = 2.451789445221217 (6.66282e-09% change) + iteration 1432: trace = 2.451789424257093 (1.85074e-09% change) linmin: converged after 4 iterations. - iteration 1225: trace = 2.451789444930302 (1.18654e-08% change) - large trace change predicted (2.38292e-08%) - linmin: converged after 9 iterations. - iteration 1226: trace = 2.451789444346066 (2.3829e-08% change) - linmin: converged after 24 iterations. - iteration 1227: trace = 2.451789444229092 (4.77096e-09% change) - large trace change predicted (2.11461e-08%) - linmin: converged after 11 iterations. - iteration 1228: trace = 2.451789443710641 (2.11458e-08% change) - linmin: converged after 27 iterations. - iteration 1229: trace = 2.451789443500719 (8.562e-09% change) - linmin: converged after 12 iterations. - iteration 1230: trace = 2.451789443342569 (6.45041e-09% change) - linmin: converged after 20 iterations. - iteration 1231: trace = 2.45178944317527 (6.82353e-09% change) - linmin: converged after 3 iterations. - iteration 1232: trace = 2.451789443052179 (5.02047e-09% change) - linmin: converged after 3 iterations. - iteration 1233: trace = 2.451789443001578 (2.06383e-09% change) - linmin: converged after 4 iterations. - iteration 1234: trace = 2.451789442926398 (3.06634e-09% change) - linmin: converged after 2 iterations. - iteration 1235: trace = 2.451789442781727 (5.90063e-09% change) - linmin: converged after 36 iterations. - iteration 1236: trace = 2.451789442737156 (1.81786e-09% change) - large trace change predicted (1.20492e-08%) - linmin: converged after 13 iterations. - iteration 1237: trace = 2.451789442441735 (1.20492e-08% change) + iteration 1433: trace = 2.451789424186408 (2.88302e-09% change) linmin: converged after 4 iterations. - iteration 1238: trace = 2.451789442200093 (9.85575e-09% change) - linmin: converged after 23 iterations. - iteration 1239: trace = 2.451789441987182 (8.6839e-09% change) - linmin: converged after 4 iterations. - iteration 1240: trace = 2.451789441667105 (1.30548e-08% change) - linmin: converged after 7 iterations. - iteration 1241: trace = 2.451789441241778 (1.73476e-08% change) - linmin: converged after 13 iterations. - iteration 1242: trace = 2.451789441091672 (6.12231e-09% change) - large trace change predicted (1.68267e-08%) - linmin: converged after 4 iterations. - iteration 1243: trace = 2.451789440679111 (1.68269e-08% change) - linmin: converged after 4 iterations. - iteration 1244: trace = 2.451789440433159 (1.00315e-08% change) - linmin: converged after 21 iterations. - iteration 1245: trace = 2.451789440332957 (4.0869e-09% change) - large trace change predicted (1.06262e-08%) - linmin: converged after 7 iterations. - iteration 1246: trace = 2.451789440072424 (1.06262e-08% change) - linmin: converged after 4 iterations. - iteration 1247: trace = 2.451789439816958 (1.04196e-08% change) - linmin: converged after 4 iterations. - iteration 1248: trace = 2.451789439638582 (7.27534e-09% change) + iteration 1434: trace = 2.451789424139416 (1.91663e-09% change) linmin: converged after 3 iterations. - iteration 1249: trace = 2.451789439544426 (3.84027e-09% change) - large trace change predicted (1.204e-08%) - linmin: converged after 4 iterations. - iteration 1250: trace = 2.451789439249227 (1.20402e-08% change) - linmin: converged after 15 iterations. - iteration 1251: trace = 2.451789439129806 (4.87078e-09% change) - linmin: converged after 4 iterations. - iteration 1252: trace = 2.451789438969213 (6.55003e-09% change) - linmin: converged after 4 iterations. - iteration 1253: trace = 2.451789438735243 (9.5428e-09% change) + iteration 1435: trace = 2.451789424111537 (1.13709e-09% change) linmin: converged after 2 iterations. - iteration 1254: trace = 2.451789438648958 (3.51929e-09% change) + iteration 1436: trace = 2.451789424061937 (2.02299e-09% change) + linmin: converged after 21 iterations. + iteration 1437: trace = 2.451789424023691 (1.55995e-09% change) linmin: converged after 5 iterations. - iteration 1255: trace = 2.4517894385467 (4.17074e-09% change) - large trace change predicted (9.20671e-09%) - linmin: converged after 26 iterations. - iteration 1256: trace = 2.45178943832097 (9.20673e-09% change) - linmin: converged after 3 iterations. - iteration 1257: trace = 2.451789438226698 (3.84503e-09% change) - large trace change predicted (1.40748e-08%) - linmin: converged after 4 iterations. - iteration 1258: trace = 2.451789437881618 (1.40746e-08% change) - large trace change predicted (1.02602e-07%) + iteration 1438: trace = 2.451789424015026 (3.53418e-10% change) + large trace change predicted (8.77729e-10%) + linmin: converged after 7 iterations. + iteration 1439: trace = 2.451789423993505 (8.77731e-10% change) linmin: converged after 10 iterations. - iteration 1259: trace = 2.451789435366005 (1.02603e-07% change) - resetting CG direction... + iteration 1440: trace = 2.451789423981422 (4.92851e-10% change) linmin: converged after 4 iterations. - iteration 1260: trace = 2.451789433878098 (6.06866e-08% change) - linmin: converged after 7 iterations. - iteration 1261: trace = 2.451789433256536 (2.53514e-08% change) + iteration 1441: trace = 2.451789423977745 (1.49974e-10% change) + large trace change predicted (5.97156e-10%) linmin: converged after 2 iterations. - iteration 1262: trace = 2.451789433047301 (8.53395e-09% change) - linmin: converged after 6 iterations. - iteration 1263: trace = 2.451789432970581 (3.12916e-09% change) - linmin: converged after 21 iterations. - iteration 1264: trace = 2.451789432843702 (5.17495e-09% change) - linmin: converged after 24 iterations. - iteration 1265: trace = 2.451789432739367 (4.25545e-09% change) - linmin: converged after 22 iterations. - iteration 1266: trace = 2.451789432623807 (4.71331e-09% change) - linmin: converged after 21 iterations. - iteration 1267: trace = 2.451789432576843 (1.91547e-09% change) - large trace change predicted (5.83693e-09%) - linmin: converged after 4 iterations. - iteration 1268: trace = 2.451789432433737 (5.83683e-09% change) - linmin: converged after 4 iterations. - iteration 1269: trace = 2.451789432391423 (1.72583e-09% change) - large trace change predicted (5.45718e-09%) - linmin: converged after 4 iterations. - iteration 1270: trace = 2.451789432257627 (5.45706e-09% change) - linmin: converged after 4 iterations. - iteration 1271: trace = 2.451789432155805 (4.15297e-09% change) - linmin: converged after 4 iterations. - iteration 1272: trace = 2.451789432106585 (2.00752e-09% change) - large trace change predicted (5.58408e-09%) - linmin: converged after 9 iterations. - iteration 1273: trace = 2.451789431969674 (5.58412e-09% change) - linmin: converged after 21 iterations. - iteration 1274: trace = 2.451789431830889 (5.66054e-09% change) - linmin: converged after 4 iterations. - iteration 1275: trace = 2.451789431776769 (2.2074e-09% change) - large trace change predicted (6.62686e-09%) - linmin: converged after 4 iterations. - iteration 1276: trace = 2.451789431614293 (6.62681e-09% change) - linmin: converged after 6 iterations. - iteration 1277: trace = 2.451789431420385 (7.90887e-09% change) - linmin: converged after 24 iterations. - iteration 1278: trace = 2.451789431314295 (4.32702e-09% change) - linmin: converged after 21 iterations. - iteration 1279: trace = 2.451789431150426 (6.68365e-09% change) - linmin: converged after 17 iterations. - iteration 1280: trace = 2.451789431008692 (5.78085e-09% change) - linmin: converged after 21 iterations. - iteration 1281: trace = 2.451789430897196 (4.54754e-09% change) - linmin: converged after 19 iterations. - iteration 1282: trace = 2.451789430809749 (3.56668e-09% change) - linmin: converged after 23 iterations. - iteration 1283: trace = 2.451789430674089 (5.53308e-09% change) + iteration 1442: trace = 2.451789423963102 (5.97217e-10% change) linmin: converged after 7 iterations. - iteration 1284: trace = 2.451789430653522 (8.38843e-10% change) - large trace change predicted (2.42467e-09%) - linmin: converged after 4 iterations. - iteration 1285: trace = 2.451789430594074 (2.42468e-09% change) - linmin: converged after 22 iterations. - iteration 1286: trace = 2.451789430545888 (1.96535e-09% change) - linmin: converged after 4 iterations. - iteration 1287: trace = 2.451789430482413 (2.58893e-09% change) - linmin: converged after 13 iterations. - iteration 1288: trace = 2.451789430463206 (7.83399e-10% change) - large trace change predicted (2.52053e-09%) - linmin: converged after 26 iterations. - iteration 1289: trace = 2.451789430401406 (2.5206e-09% change) - linmin: converged after 4 iterations. - iteration 1290: trace = 2.451789430305257 (3.92158e-09% change) - linmin: converged after 21 iterations. - iteration 1291: trace = 2.451789430266636 (1.5752e-09% change) - large trace change predicted (4.75857e-09%) - linmin: converged after 3 iterations. - iteration 1292: trace = 2.451789430149964 (4.75865e-09% change) - linmin: converged after 27 iterations. - iteration 1293: trace = 2.451789430024553 (5.11509e-09% change) + iteration 1443: trace = 2.45178942395679 (2.57438e-10% change) + linmin: converged after 2 iterations. + iteration 1444: trace = 2.451789423950569 (2.53761e-10% change) + large trace change predicted (6.14887e-10%) linmin: converged after 12 iterations. - iteration 1294: trace = 2.451789429962301 (2.53904e-09% change) - linmin: converged after 4 iterations. - iteration 1295: trace = 2.451789429845037 (4.78281e-09% change) - linmin: converged after 3 iterations. - iteration 1296: trace = 2.45178942967521 (6.92665e-09% change) - linmin: converged after 22 iterations. - iteration 1297: trace = 2.451789429603708 (2.91632e-09% change) - large trace change predicted (8.59973e-09%) - linmin: converged after 4 iterations. - iteration 1298: trace = 2.451789429392857 (8.5999e-09% change) - linmin: converged after 31 iterations. - iteration 1299: trace = 2.451789429256205 (5.57356e-09% change) - linmin: converged after 4 iterations. - iteration 1300: trace = 2.451789429222892 (1.35872e-09% change) - linmin: converged after 5 iterations. - iteration 1301: trace = 2.451789429170611 (2.13234e-09% change) - linmin: converged after 4 iterations. - iteration 1302: trace = 2.451789429130043 (1.65465e-09% change) - linmin: converged after 17 iterations. - iteration 1303: trace = 2.451789429119601 (4.25888e-10% change) - large trace change predicted (1.07072e-09%) + iteration 1445: trace = 2.451789423935494 (6.14859e-10% change) linmin: converged after 2 iterations. - iteration 1304: trace = 2.45178942909335 (1.07067e-09% change) + iteration 1446: trace = 2.45178942392939 (2.48943e-10% change) + large trace change predicted (7.2325e-10%) linmin: converged after 3 iterations. - iteration 1305: trace = 2.451789429051677 (1.69973e-09% change) - linmin: converged after 10 iterations. - iteration 1306: trace = 2.451789429038133 (5.52406e-10% change) - large trace change predicted (2.85414e-09%) + iteration 1447: trace = 2.451789423911657 (7.23265e-10% change) linmin: converged after 4 iterations. - iteration 1307: trace = 2.451789428968158 (2.85404e-09% change) + iteration 1448: trace = 2.451789423888258 (9.54349e-10% change) + linmin: converged after 3 iterations. + iteration 1449: trace = 2.451789423880006 (3.36573e-10% change) + large trace change predicted (8.13994e-10%) linmin: converged after 4 iterations. - iteration 1308: trace = 2.451789428904058 (2.61439e-09% change) + iteration 1450: trace = 2.451789423860045 (8.14155e-10% change) + linmin: converged after 9 iterations. + iteration 1451: trace = 2.451789423827012 (1.34731e-09% change) + linmin: converged after 5 iterations. + iteration 1452: trace = 2.451789423816114 (4.44508e-10% change) + large trace change predicted (1.13737e-09%) + linmin: converged after 5 iterations. + iteration 1453: trace = 2.451789423788227 (1.1374e-09% change) linmin: converged after 4 iterations. - iteration 1309: trace = 2.451789428839541 (2.63144e-09% change) - linmin: converged after 7 iterations. - iteration 1310: trace = 2.451789428783396 (2.28997e-09% change) - large trace change predicted (6.34187e-09%) - linmin: converged after 21 iterations. - iteration 1311: trace = 2.451789428627906 (6.34187e-09% change) + iteration 1454: trace = 2.451789423754938 (1.35774e-09% change) + linmin: converged after 12 iterations. + iteration 1455: trace = 2.451789423735751 (7.82584e-10% change) linmin: converged after 6 iterations. - iteration 1312: trace = 2.451789428579326 (1.98142e-09% change) - linmin: converged after 4 iterations. - iteration 1313: trace = 2.451789428516601 (2.55833e-09% change) + iteration 1456: trace = 2.451789423720412 (6.256e-10% change) linmin: converged after 4 iterations. - iteration 1314: trace = 2.451789428410657 (4.32111e-09% change) - linmin: converged after 5 iterations. - iteration 1315: trace = 2.451789428382971 (1.12919e-09% change) - large trace change predicted (3.50463e-09%) - linmin: converged after 25 iterations. - iteration 1316: trace = 2.451789428297045 (3.50462e-09% change) - linmin: converged after 16 iterations. - iteration 1317: trace = 2.451789428229989 (2.73497e-09% change) + iteration 1457: trace = 2.451789423691985 (1.15944e-09% change) + linmin: converged after 20 iterations. + iteration 1458: trace = 2.451789423679707 (5.00784e-10% change) + linmin: converged after 6 iterations. + iteration 1459: trace = 2.451789423675136 (1.86436e-10% change) linmin: converged after 3 iterations. - iteration 1318: trace = 2.451789428206863 (9.43263e-10% change) - linmin: converged after 2 iterations. - iteration 1319: trace = 2.451789428162945 (1.79124e-09% change) - linmin: converged after 21 iterations. - iteration 1320: trace = 2.451789428107597 (2.25748e-09% change) - linmin: converged after 4 iterations. - iteration 1321: trace = 2.451789428079873 (1.13075e-09% change) - linmin: converged after 2 iterations. - iteration 1322: trace = 2.451789428055299 (1.00229e-09% change) + iteration 1460: trace = 2.45178942366807 (2.88194e-10% change) linmin: converged after 6 iterations. - iteration 1323: trace = 2.45178942802734 (1.14033e-09% change) + iteration 1461: trace = 2.451789423658372 (3.95549e-10% change) + linmin: converged after 15 iterations. + iteration 1462: trace = 2.451789423654565 (1.55263e-10% change) + large trace change predicted (3.66793e-10%) + linmin: converged after 6 iterations. + iteration 1463: trace = 2.45178942364557 (3.66876e-10% change) linmin: converged after 3 iterations. - iteration 1324: trace = 2.451789428007094 (8.25802e-10% change) - linmin: converged after 4 iterations. - iteration 1325: trace = 2.451789427995403 (4.76821e-10% change) - large trace change predicted (1.59393e-09%) + iteration 1464: trace = 2.451789423635328 (4.17755e-10% change) linmin: converged after 9 iterations. - iteration 1326: trace = 2.451789427956322 (1.59397e-09% change) + iteration 1465: trace = 2.451789423631667 (1.49304e-10% change) + large trace change predicted (5.01838e-10%) + linmin: converged after 9 iterations. + iteration 1466: trace = 2.451789423619365 (5.01781e-10% change) linmin: converged after 3 iterations. - iteration 1327: trace = 2.451789427914213 (1.71748e-09% change) - linmin: converged after 7 iterations. - iteration 1328: trace = 2.451789427885572 (1.16819e-09% change) - linmin: converged after 2 iterations. - iteration 1329: trace = 2.451789427860202 (1.03473e-09% change) - resetting CG direction... + iteration 1467: trace = 2.451789423607968 (4.64848e-10% change) linmin: converged after 3 iterations. - iteration 1330: trace = 2.451789427837171 (9.39369e-10% change) - linmin: converged after 5 iterations. - iteration 1331: trace = 2.451789427813297 (9.73747e-10% change) + iteration 1468: trace = 2.451789423603517 (1.81527e-10% change) linmin: converged after 4 iterations. - iteration 1332: trace = 2.451789427779709 (1.36991e-09% change) + iteration 1469: trace = 2.451789423595886 (3.11251e-10% change) + resetting CG direction... + linmin: converged after 9 iterations. + iteration 1470: trace = 2.451789423589095 (2.76964e-10% change) + linmin: converged after 9 iterations. + iteration 1471: trace = 2.451789423585441 (1.49033e-10% change) + large trace change predicted (3.94877e-10%) linmin: converged after 6 iterations. - iteration 1333: trace = 2.451789427758982 (8.45382e-10% change) - linmin: converged after 5 iterations. - iteration 1334: trace = 2.451789427739425 (7.9769e-10% change) - linmin: converged after 18 iterations. - iteration 1335: trace = 2.451789427713917 (1.04038e-09% change) - linmin: converged after 16 iterations. - iteration 1336: trace = 2.451789427699441 (5.90425e-10% change) - linmin: converged after 20 iterations. - iteration 1337: trace = 2.45178942767709 (9.11602e-10% change) - linmin: converged after 4 iterations. - iteration 1338: trace = 2.45178942763282 (1.80562e-09% change) + iteration 1472: trace = 2.45178942357576 (3.94878e-10% change) + linmin: converged after 10 iterations. + iteration 1473: trace = 2.451789423563796 (4.87942e-10% change) linmin: converged after 4 iterations. - iteration 1339: trace = 2.451789427621961 (4.42896e-10% change) - large trace change predicted (1.8204e-09%) - linmin: converged after 7 iterations. - iteration 1340: trace = 2.451789427577328 (1.82041e-09% change) + iteration 1474: trace = 2.451789423558835 (2.02357e-10% change) + linmin: converged after 5 iterations. + iteration 1475: trace = 2.451789423549865 (3.65844e-10% change) linmin: converged after 4 iterations. - iteration 1341: trace = 2.451789427541467 (1.46267e-09% change) - linmin: converged after 11 iterations. - iteration 1342: trace = 2.451789427520964 (8.36253e-10% change) - large trace change predicted (1.73539e-09%) - linmin: converged after 30 iterations. - iteration 1343: trace = 2.451789427478416 (1.73539e-09% change) + iteration 1476: trace = 2.45178942354266 (2.93863e-10% change) + linmin: converged after 9 iterations. + iteration 1477: trace = 2.451789423538757 (1.59212e-10% change) + large trace change predicted (3.46387e-10%) linmin: converged after 4 iterations. - iteration 1344: trace = 2.451789427413101 (2.66395e-09% change) - linmin: converged after 16 iterations. - iteration 1345: trace = 2.45178942739219 (8.52898e-10% change) - large trace change predicted (3.48547e-09%) - linmin: converged after 21 iterations. - iteration 1346: trace = 2.451789427306734 (3.48544e-09% change) - linmin: converged after 18 iterations. - iteration 1347: trace = 2.451789427233634 (2.9815e-09% change) - linmin: converged after 8 iterations. - iteration 1348: trace = 2.451789427203547 (1.22716e-09% change) - large trace change predicted (4.76998e-09%) + iteration 1478: trace = 2.451789423530265 (3.46354e-10% change) linmin: converged after 8 iterations. - iteration 1349: trace = 2.451789427086593 (4.77013e-09% change) + iteration 1479: trace = 2.45178942352331 (2.83647e-10% change) linmin: converged after 3 iterations. - iteration 1350: trace = 2.451789427029377 (2.33366e-09% change) - linmin: converged after 4 iterations. - iteration 1351: trace = 2.451789426949519 (3.25711e-09% change) - linmin: converged after 11 iterations. - iteration 1352: trace = 2.451789426938215 (4.61063e-10% change) - large trace change predicted (1.99861e-09%) - linmin: converged after 20 iterations. - iteration 1353: trace = 2.451789426889213 (1.99863e-09% change) - linmin: converged after 4 iterations. - iteration 1354: trace = 2.451789426874615 (5.95406e-10% change) - linmin: converged after 4 iterations. - iteration 1355: trace = 2.451789426861922 (5.17684e-10% change) - linmin: converged after 4 iterations. - iteration 1356: trace = 2.451789426839075 (9.3187e-10% change) - linmin: converged after 9 iterations. - iteration 1357: trace = 2.451789426822449 (6.78109e-10% change) + iteration 1480: trace = 2.451789423519322 (1.6269e-10% change) + large trace change predicted (4.48814e-10%) + linmin: converged after 12 iterations. + iteration 1481: trace = 2.451789423508319 (4.48764e-10% change) linmin: converged after 2 iterations. - iteration 1358: trace = 2.451789426800897 (8.79035e-10% change) - large trace change predicted (1.82979e-09%) - linmin: converged after 16 iterations. - iteration 1359: trace = 2.451789426756036 (1.82972e-09% change) - linmin: converged after 22 iterations. - iteration 1360: trace = 2.451789426687717 (2.78648e-09% change) - linmin: converged after 20 iterations. - iteration 1361: trace = 2.451789426665331 (9.13033e-10% change) - large trace change predicted (3.55266e-09%) - linmin: converged after 4 iterations. - iteration 1362: trace = 2.451789426578227 (3.55269e-09% change) - linmin: converged after 16 iterations. - iteration 1363: trace = 2.451789426483567 (3.86085e-09% change) - linmin: converged after 7 iterations. - iteration 1364: trace = 2.451789426448853 (1.41586e-09% change) - linmin: converged after 18 iterations. - iteration 1365: trace = 2.451789426396778 (2.12395e-09% change) - large trace change predicted (4.86206e-09%) - linmin: converged after 4 iterations. - iteration 1366: trace = 2.451789426277574 (4.86193e-09% change) - linmin: converged after 4 iterations. - iteration 1367: trace = 2.45178942617991 (3.98336e-09% change) - linmin: converged after 13 iterations. - iteration 1368: trace = 2.451789426157195 (9.26473e-10% change) - large trace change predicted (2.34013e-09%) - linmin: converged after 21 iterations. - iteration 1369: trace = 2.451789426099818 (2.3402e-09% change) - linmin: converged after 3 iterations. - iteration 1370: trace = 2.45178942606264 (1.51637e-09% change) + iteration 1482: trace = 2.451789423502793 (2.25378e-10% change) + large trace change predicted (8.91863e-10%) linmin: converged after 8 iterations. - iteration 1371: trace = 2.451789426053544 (3.70988e-10% change) - large trace change predicted (8.90213e-10%) - linmin: converged after 3 iterations. - iteration 1372: trace = 2.451789426031716 (8.90283e-10% change) - linmin: converged after 4 iterations. - iteration 1373: trace = 2.451789426013754 (7.32629e-10% change) - linmin: converged after 4 iterations. - iteration 1374: trace = 2.451789426007426 (2.5809e-10% change) - large trace change predicted (1.31908e-09%) - linmin: converged after 4 iterations. - iteration 1375: trace = 2.451789425975084 (1.31911e-09% change) - linmin: converged after 22 iterations. - iteration 1376: trace = 2.451789425925529 (2.02118e-09% change) - linmin: converged after 4 iterations. - iteration 1377: trace = 2.451789425903246 (9.08867e-10% change) - large trace change predicted (2.20418e-09%) - linmin: converged after 6 iterations. - iteration 1378: trace = 2.451789425849205 (2.20415e-09% change) + iteration 1483: trace = 2.45178942348093 (8.91714e-10% change) + linmin: converged after 8 iterations. + iteration 1484: trace = 2.45178942345999 (8.54076e-10% change) linmin: converged after 2 iterations. - iteration 1379: trace = 2.451789425776035 (2.98435e-09% change) - linmin: converged after 4 iterations. - iteration 1380: trace = 2.45178942575533 (8.44476e-10% change) - large trace change predicted (4.19777e-09%) + iteration 1485: trace = 2.451789423448743 (4.58708e-10% change) linmin: converged after 5 iterations. - iteration 1381: trace = 2.451789425652413 (4.19762e-09% change) - linmin: converged after 4 iterations. - iteration 1382: trace = 2.451789425595878 (2.30586e-09% change) + iteration 1486: trace = 2.451789423436185 (5.12214e-10% change) + large trace change predicted (1.15337e-09%) linmin: converged after 11 iterations. - iteration 1383: trace = 2.451789425563314 (1.3282e-09% change) - linmin: converged after 8 iterations. - iteration 1384: trace = 2.451789425505613 (2.35342e-09% change) - linmin: converged after 4 iterations. - iteration 1385: trace = 2.451789425453373 (2.13069e-09% change) + iteration 1487: trace = 2.451789423407909 (1.15326e-09% change) linmin: converged after 6 iterations. - iteration 1386: trace = 2.451789425436828 (6.74795e-10% change) - large trace change predicted (2.05032e-09%) - linmin: converged after 18 iterations. - iteration 1387: trace = 2.451789425386556 (2.05045e-09% change) + iteration 1488: trace = 2.451789423384935 (9.37051e-10% change) linmin: converged after 4 iterations. - iteration 1388: trace = 2.451789425349372 (1.51657e-09% change) - linmin: converged after 15 iterations. - iteration 1389: trace = 2.451789425332057 (7.06239e-10% change) - large trace change predicted (2.23419e-09%) + iteration 1489: trace = 2.451789423374425 (4.28677e-10% change) linmin: converged after 6 iterations. - iteration 1390: trace = 2.451789425277283 (2.23404e-09% change) - linmin: converged after 15 iterations. - iteration 1391: trace = 2.451789425231565 (1.86466e-09% change) + iteration 1490: trace = 2.451789423356797 (7.18972e-10% change) linmin: converged after 2 iterations. - iteration 1392: trace = 2.451789425218463 (5.34384e-10% change) - large trace change predicted (1.21945e-09%) - linmin: converged after 9 iterations. - iteration 1393: trace = 2.451789425188565 (1.21945e-09% change) + iteration 1491: trace = 2.451789423341468 (6.2522e-10% change) linmin: converged after 3 iterations. - iteration 1394: trace = 2.451789425157625 (1.26192e-09% change) - linmin: converged after 13 iterations. - iteration 1395: trace = 2.451789425138586 (7.76535e-10% change) - large trace change predicted (1.64594e-09%) + iteration 1492: trace = 2.451789423334398 (2.88339e-10% change) + large trace change predicted (6.12314e-10%) linmin: converged after 4 iterations. - iteration 1396: trace = 2.451789425098232 (1.64592e-09% change) - linmin: converged after 20 iterations. - iteration 1397: trace = 2.451789425038035 (2.45523e-09% change) - linmin: converged after 26 iterations. - iteration 1398: trace = 2.45178942495501 (3.38631e-09% change) - large trace change predicted (1.41341e-08%) - linmin: converged after 28 iterations. - iteration 1399: trace = 2.451789424608471 (1.41341e-08% change) - resetting CG direction... - linmin: converged after 3 iterations. - iteration 1400: trace = 2.451789424330125 (1.13528e-08% change) + iteration 1493: trace = 2.451789423319386 (6.12305e-10% change) + linmin: converged after 4 iterations. + iteration 1494: trace = 2.451789423311791 (3.09784e-10% change) + linmin: converged after 7 iterations. + iteration 1495: trace = 2.451789423307244 (1.85458e-10% change) + linmin: converged after 12 iterations. + iteration 1496: trace = 2.451789423299059 (3.3382e-10% change) linmin: converged after 2 iterations. - iteration 1401: trace = 2.451789424273012 (2.32944e-09% change) - linmin: converged after 18 iterations. - iteration 1402: trace = 2.45178942422672 (1.88812e-09% change) + iteration 1497: trace = 2.45178942328842 (4.3393e-10% change) linmin: converged after 3 iterations. - iteration 1403: trace = 2.451789424185634 (1.67575e-09% change) - linmin: converged after 18 iterations. - iteration 1404: trace = 2.451789424171285 (5.85245e-10% change) - linmin: converged after 13 iterations. - iteration 1405: trace = 2.451789424147403 (9.74073e-10% change) - linmin: converged after 8 iterations. - iteration 1406: trace = 2.451789424122435 (1.01836e-09% change) - linmin: converged after 4 iterations. - iteration 1407: trace = 2.451789424114636 (3.18098e-10% change) - large trace change predicted (1.24764e-09%) + iteration 1498: trace = 2.451789423285878 (1.03696e-10% change) + large trace change predicted (2.67092e-10%) + linmin: converged after 9 iterations. + iteration 1499: trace = 2.45178942327933 (2.67074e-10% change) + linmin: converged after 16 iterations. + iteration 1500: trace = 2.451789423267701 (4.74303e-10% change) + linmin: converged after 16 iterations. + iteration 1501: trace = 2.451789423251549 (6.58783e-10% change) + linmin: converged after 5 iterations. + iteration 1502: trace = 2.45178942324243 (3.71911e-10% change) + large trace change predicted (1.16598e-09%) linmin: converged after 4 iterations. - iteration 1408: trace = 2.451789424084049 (1.24751e-09% change) - linmin: converged after 6 iterations. - iteration 1409: trace = 2.451789424059581 (9.98001e-10% change) + iteration 1503: trace = 2.451789423213841 (1.16607e-09% change) linmin: converged after 4 iterations. - iteration 1410: trace = 2.451789424047643 (4.86892e-10% change) - linmin: converged after 7 iterations. - iteration 1411: trace = 2.451789424031571 (6.55504e-10% change) - linmin: converged after 19 iterations. - iteration 1412: trace = 2.451789424001313 (1.23416e-09% change) + iteration 1504: trace = 2.45178942317604 (1.54177e-09% change) linmin: converged after 10 iterations. - iteration 1413: trace = 2.451789423991946 (3.82018e-10% change) - large trace change predicted (1.3122e-09%) - linmin: converged after 4 iterations. - iteration 1414: trace = 2.451789423959771 (1.31231e-09% change) - linmin: converged after 4 iterations. - iteration 1415: trace = 2.451789423924466 (1.43999e-09% change) - linmin: converged after 15 iterations. - iteration 1416: trace = 2.45178942391048 (5.70428e-10% change) - large trace change predicted (1.56491e-09%) + iteration 1505: trace = 2.451789423154971 (8.59328e-10% change) + linmin: converged after 10 iterations. + iteration 1506: trace = 2.451789423125593 (1.19824e-09% change) + linmin: converged after 7 iterations. + iteration 1507: trace = 2.451789423103063 (9.18884e-10% change) linmin: converged after 5 iterations. - iteration 1417: trace = 2.451789423872111 (1.56495e-09% change) - linmin: converged after 4 iterations. - iteration 1418: trace = 2.451789423828485 (1.77934e-09% change) - linmin: converged after 20 iterations. - iteration 1419: trace = 2.451789423814215 (5.82039e-10% change) - linmin: converged after 21 iterations. - iteration 1420: trace = 2.451789423792063 (9.03506e-10% change) - linmin: converged after 4 iterations. - iteration 1421: trace = 2.451789423752354 (1.61956e-09% change) + iteration 1508: trace = 2.451789423099487 (1.45863e-10% change) + large trace change predicted (4.39356e-10%) + linmin: converged after 7 iterations. + iteration 1509: trace = 2.451789423088715 (4.39364e-10% change) + linmin: converged after 5 iterations. + iteration 1510: trace = 2.45178942308077 (3.24039e-10% change) + linmin: converged after 7 iterations. + iteration 1511: trace = 2.451789423075593 (2.11178e-10% change) + linmin: converged after 5 iterations. + iteration 1512: trace = 2.451789423070623 (2.02683e-10% change) + linmin: converged after 3 iterations. + iteration 1513: trace = 2.451789423063198 (3.02847e-10% change) + linmin: converged after 9 iterations. + iteration 1514: trace = 2.451789423053398 (3.99697e-10% change) linmin: converged after 4 iterations. - iteration 1422: trace = 2.451789423742226 (4.131e-10% change) - large trace change predicted (1.0001e-09%) + iteration 1515: trace = 2.451789423048974 (1.8044e-10% change) + large trace change predicted (5.10469e-10%) + linmin: converged after 9 iterations. + iteration 1516: trace = 2.451789423036459 (5.10457e-10% change) linmin: converged after 19 iterations. - iteration 1423: trace = 2.451789423717707 (1.00005e-09% change) - linmin: converged after 8 iterations. - iteration 1424: trace = 2.451789423706942 (4.39074e-10% change) - linmin: converged after 17 iterations. - iteration 1425: trace = 2.451789423700462 (2.64285e-10% change) - linmin: converged after 18 iterations. - iteration 1426: trace = 2.451789423689513 (4.46554e-10% change) - linmin: converged after 13 iterations. - iteration 1427: trace = 2.451789423673482 (6.53856e-10% change) - linmin: converged after 6 iterations. - iteration 1428: trace = 2.451789423669334 (1.6921e-10% change) - large trace change predicted (4.72408e-10%) - linmin: converged after 4 iterations. - iteration 1429: trace = 2.451789423657752 (4.72383e-10% change) - linmin: converged after 5 iterations. - iteration 1430: trace = 2.451789423642428 (6.24984e-10% change) - linmin: converged after 10 iterations. - iteration 1431: trace = 2.451789423630924 (4.69232e-10% change) + iteration 1517: trace = 2.451789423028642 (3.18841e-10% change) + linmin: converged after 9 iterations. + iteration 1518: trace = 2.451789423024311 (1.76637e-10% change) + large trace change predicted (7.88906e-10%) linmin: converged after 14 iterations. - iteration 1432: trace = 2.451789423615611 (6.2455e-10% change) - linmin: converged after 2 iterations. - iteration 1433: trace = 2.451789423588781 (1.09432e-09% change) - linmin: converged after 4 iterations. - iteration 1434: trace = 2.451789423564947 (9.72099e-10% change) + iteration 1519: trace = 2.451789423004969 (7.88906e-10% change) linmin: converged after 6 iterations. - iteration 1435: trace = 2.451789423526965 (1.54914e-09% change) - linmin: converged after 17 iterations. - iteration 1436: trace = 2.451789423512263 (5.99644e-10% change) - large trace change predicted (2.27356e-09%) - linmin: converged after 5 iterations. - iteration 1437: trace = 2.451789423456522 (2.27349e-09% change) + iteration 1520: trace = 2.451789422995583 (3.82797e-10% change) + large trace change predicted (8.94279e-10%) linmin: converged after 4 iterations. - iteration 1438: trace = 2.451789423435572 (8.54492e-10% change) - linmin: converged after 23 iterations. - iteration 1439: trace = 2.451789423416287 (7.86551e-10% change) - linmin: converged after 11 iterations. - iteration 1440: trace = 2.451789423403261 (5.31305e-10% change) - linmin: converged after 6 iterations. - iteration 1441: trace = 2.451789423395268 (3.25977e-10% change) - linmin: converged after 3 iterations. - iteration 1442: trace = 2.451789423391876 (1.38364e-10% change) - linmin: converged after 6 iterations. - iteration 1443: trace = 2.45178942338634 (2.25777e-10% change) + iteration 1521: trace = 2.451789422973657 (8.94304e-10% change) + linmin: converged after 4 iterations. + iteration 1522: trace = 2.451789422951352 (9.09737e-10% change) + linmin: converged after 19 iterations. + iteration 1523: trace = 2.451789422943365 (3.2576e-10% change) + large trace change predicted (8.54241e-10%) linmin: converged after 2 iterations. - iteration 1444: trace = 2.45178942338033 (2.45139e-10% change) - linmin: converged after 3 iterations. - iteration 1445: trace = 2.451789423375478 (1.97901e-10% change) - large trace change predicted (6.00098e-10%) - linmin: converged after 14 iterations. - iteration 1446: trace = 2.451789423360763 (6.0017e-10% change) - linmin: converged after 3 iterations. - iteration 1447: trace = 2.45178942335683 (1.60426e-10% change) - large trace change predicted (4.48501e-10%) + iteration 1524: trace = 2.451789422922417 (8.54402e-10% change) linmin: converged after 15 iterations. - iteration 1448: trace = 2.451789423345835 (4.4842e-10% change) - linmin: converged after 6 iterations. - iteration 1449: trace = 2.45178942332878 (6.95643e-10% change) - linmin: converged after 9 iterations. - iteration 1450: trace = 2.451789423320378 (3.42677e-10% change) - large trace change predicted (1.0177e-09%) - linmin: converged after 4 iterations. - iteration 1451: trace = 2.45178942329543 (1.01754e-09% change) + iteration 1525: trace = 2.451789422901643 (8.47302e-10% change) + linmin: converged after 7 iterations. + iteration 1526: trace = 2.451789422889206 (5.07251e-10% change) linmin: converged after 3 iterations. - iteration 1452: trace = 2.451789423276987 (7.52245e-10% change) + iteration 1527: trace = 2.451789422883571 (2.29834e-10% change) linmin: converged after 4 iterations. - iteration 1453: trace = 2.451789423268175 (3.59414e-10% change) - large trace change predicted (8.42111e-10%) - linmin: converged after 9 iterations. - iteration 1454: trace = 2.451789423247528 (8.42103e-10% change) - linmin: converged after 16 iterations. - iteration 1455: trace = 2.451789423223894 (9.6393e-10% change) - linmin: converged after 12 iterations. - iteration 1456: trace = 2.451789423208913 (6.11037e-10% change) - linmin: converged after 8 iterations. - iteration 1457: trace = 2.451789423202641 (2.55826e-10% change) - linmin: converged after 10 iterations. - iteration 1458: trace = 2.451789423192569 (4.108e-10% change) - linmin: converged after 7 iterations. - iteration 1459: trace = 2.451789423181072 (4.68924e-10% change) - linmin: converged after 15 iterations. - iteration 1460: trace = 2.451789423178502 (1.04801e-10% change) - large trace change predicted (3.50148e-10%) + iteration 1528: trace = 2.451789422872836 (4.3786e-10% change) linmin: converged after 6 iterations. - iteration 1461: trace = 2.451789423169914 (3.50267e-10% change) - linmin: converged after 16 iterations. - iteration 1462: trace = 2.451789423164941 (2.02846e-10% change) - linmin: converged after 17 iterations. - iteration 1463: trace = 2.451789423162954 (8.10551e-11% change) -Finished solving for bands 1 to 10 after 1463 iterations. + iteration 1529: trace = 2.451789422862979 (4.02015e-10% change) + linmin: converged after 4 iterations. + iteration 1530: trace = 2.451789422860642 (9.53099e-11% change) +Finished solving for bands 1 to 10 after 1530 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: 43.23119640350342 +elapsed time for k point: 128.36357617378235 solve_kpoint (0.5,0,0): Solving for bands 1 to 10... linmin: converged after 4 iterations. - iteration 1: trace = 2.528836223782001 (1.93408% change) - linmin: converged after 4 iterations. - iteration 2: trace = 2.510710721454537 (0.719331% change) - linmin: converged after 4 iterations. - iteration 3: trace = 2.494945406997686 (0.6299% change) - linmin: converged after 4 iterations. - iteration 4: trace = 2.491433574138305 (0.140857% change) - large trace change predicted (0.375525%) - linmin: converged after 10 iterations. - iteration 5: trace = 2.481386186433904 (0.404092% change) - linmin: converged after 4 iterations. - iteration 6: trace = 2.478821681916148 (0.103403% change) - linmin: converged after 4 iterations. - iteration 7: trace = 2.475784112846906 (0.122616% change) - linmin: converged after 4 iterations. - iteration 8: trace = 2.473421556558818 (0.0954721% change) - linmin: converged after 4 iterations. - iteration 9: trace = 2.47247156210758 (0.0384155% change) - linmin: converged after 4 iterations. - iteration 10: trace = 2.471069106423442 (0.0567389% change) - linmin: converged after 4 iterations. - iteration 11: trace = 2.470689347126524 (0.0153694% change) - large trace change predicted (0.0415687%) - linmin: converged after 4 iterations. - iteration 12: trace = 2.469653327122731 (0.0419412% change) - linmin: converged after 4 iterations. - iteration 13: trace = 2.469044099555911 (0.0246716% change) - linmin: converged after 3 iterations. - iteration 14: trace = 2.468577470692296 (0.018901% change) - linmin: converged after 3 iterations. - iteration 15: trace = 2.467728690942992 (0.0343893% change) - linmin: converged after 3 iterations. - iteration 16: trace = 2.46745300556574 (0.0111722% change) - large trace change predicted (0.040824%) - linmin: converged after 4 iterations. - iteration 17: trace = 2.466432221684716 (0.0413785% change) - linmin: converged after 4 iterations. - iteration 18: trace = 2.466143780684861 (0.0116953% change) - linmin: converged after 3 iterations. - iteration 19: trace = 2.465689795665475 (0.0184104% change) - linmin: converged after 4 iterations. - iteration 20: trace = 2.465064631640342 (0.0253577% change) - linmin: converged after 3 iterations. - iteration 21: trace = 2.464844089931834 (0.00894709% change) - large trace change predicted (0.0298112%) - linmin: converged after 5 iterations. - iteration 22: trace = 2.464107085009973 (0.0299051% change) - linmin: converged after 4 iterations. - iteration 23: trace = 2.463924808079277 (0.00739755% change) - large trace change predicted (0.0205069%) - linmin: converged after 3 iterations. - iteration 24: trace = 2.463417662980171 (0.0205849% change) - linmin: converged after 4 iterations. - iteration 25: trace = 2.462917884177778 (0.0202901% change) - linmin: converged after 4 iterations. - iteration 26: trace = 2.462692763668878 (0.00914082% change) - large trace change predicted (0.0279878%) - linmin: converged after 4 iterations. - iteration 27: trace = 2.4620093727337 (0.0277536% change) - linmin: converged after 4 iterations. - iteration 28: trace = 2.461750403472557 (0.0105192% change) - large trace change predicted (0.0224547%) - linmin: converged after 4 iterations. - iteration 29: trace = 2.461203412627468 (0.0222221% change) - linmin: converged after 4 iterations. - iteration 30: trace = 2.460687193110629 (0.0209765% change) - linmin: converged after 4 iterations. - iteration 31: trace = 2.460471923393098 (0.00874874% change) - large trace change predicted (0.0259481%) - linmin: converged after 4 iterations. - iteration 32: trace = 2.459844983792497 (0.0254837% change) + switching to approximate line minimization (decrease time by 94.4918%) + iteration 1: trace = 2.528837095285166 (1.93409% change) + iteration 2: trace = 2.510858251863433 (0.713489% change) + iteration 3: trace = 2.495329155126529 (0.620396% change) + iteration 4: trace = 2.492174334221403 (0.126509% change) + iteration 5: trace = 2.481780032698341 (0.417949% change) + iteration 6: trace = 2.480017780545143 (0.0710328% change) + iteration 7: trace = 2.475922146928206 (0.165282% change) + iteration 8: trace = 2.474883683164355 (0.0419513% change) + iteration 9: trace = 2.47254781233659 (0.0944276% change) + iteration 10: trace = 2.471727131022876 (0.0331972% change) + iteration 11: trace = 2.470802218857992 (0.0374267% change) + iteration 12: trace = 2.470129600008784 (0.0272264% change) + iteration 13: trace = 2.469336583139664 (0.0321094% change) + iteration 14: trace = 2.468729964330679 (0.0245691% change) + iteration 15: trace = 2.468367916851461 (0.0146664% change) + iteration 16: trace = 2.467628372949986 (0.0299653% change) + iteration 17: trace = 2.467366840835219 (0.0105991% change) + iteration 18: trace = 2.466409152914381 (0.0388217% change) + iteration 19: trace = 2.466192676302784 (0.00877738% change) + iteration 20: trace = 2.465530196957176 (0.026866% change) + iteration 21: trace = 2.465291923384657 (0.00966466% change) + iteration 22: trace = 2.464807273218434 (0.0196609% change) + iteration 23: trace = 2.464561741147602 (0.00996201% change) + iteration 24: trace = 2.464106925898004 (0.0184559% change) + iteration 25: trace = 2.46388061983065 (0.00918452% change) + iteration 26: trace = 2.463507583486189 (0.0151413% change) + iteration 27: trace = 2.463150232467101 (0.0145068% change) + iteration 28: trace = 2.462921197072097 (0.00929891% change) + iteration 29: trace = 2.462506968476019 (0.01682% change) + iteration 30: trace = 2.462325147373917 (0.00738385% change) + iteration 31: trace = 2.461815122594828 (0.0207153% change) + iteration 32: trace = 2.461635590126288 (0.00729295% change) + iteration 33: trace = 2.461080127484315 (0.0225673% change) + iteration 34: trace = 2.460837200318117 (0.00987124% change) + iteration 35: trace = 2.460555334606348 (0.0114547% change) + iteration 36: trace = 2.46004163232253 (0.0208797% change) + iteration 37: trace = 2.459897812076284 (0.00584642% change) + iteration 38: trace = 2.459500266730666 (0.0161624% change) + iteration 39: trace = 2.459330898478729 (0.00688652% change) + iteration 40: trace = 2.459017658287857 (0.0127376% change) + iteration 41: trace = 2.458770976071861 (0.0100322% change) + iteration 42: trace = 2.458612014409954 (0.0064653% change) + iteration 43: trace = 2.45814282055153 (0.0190855% change) + iteration 44: trace = 2.458003013677237 (0.00568766% change) + iteration 45: trace = 2.457849552028645 (0.00624354% change) + iteration 46: trace = 2.457515705391185 (0.0135838% change) + iteration 47: trace = 2.457419484373341 (0.00391545% change) + iteration 48: trace = 2.457277520888466 (0.0057771% change) + iteration 49: trace = 2.457158120093661 (0.00485919% change) + iteration 50: trace = 2.457107065037983 (0.00207783% change) + iteration 51: trace = 2.456963483529607 (0.00584369% change) + iteration 52: trace = 2.456879075781684 (0.00343551% change) + iteration 53: trace = 2.45683897195997 (0.00163232% change) + iteration 54: trace = 2.456720169005017 (0.00483572% change) + iteration 55: trace = 2.456638941079395 (0.00330641% change) + iteration 56: trace = 2.456589541065151 (0.0020109% change) + iteration 57: trace = 2.456493311459338 (0.00391728% change) + iteration 58: trace = 2.45644514310195 (0.00196088% change) + iteration 59: trace = 2.456408485738116 (0.0014923% change) + iteration 60: trace = 2.456312023063136 (0.00392706% change) + iteration 61: trace = 2.456254676741623 (0.00233468% change) + iteration 62: trace = 2.456221629857297 (0.00134543% change) + iteration 63: trace = 2.456120677558209 (0.00411015% change) + iteration 64: trace = 2.456031332198309 (0.00363773% change) + iteration 65: trace = 2.455998891271976 (0.00132088% change) + iteration 66: trace = 2.455930760324252 (0.0027741% change) + iteration 67: trace = 2.455837789052885 (0.00378565% change) + iteration 68: trace = 2.455795290028151 (0.00173055% change) + iteration 69: trace = 2.455724533016154 (0.00288127% change) + resetting CG direction... + iteration 70: trace = 2.455646687216629 (0.00317002% change) + iteration 71: trace = 2.455472593596999 (0.00708977% change) + iteration 72: trace = 2.455285363360157 (0.00762531% change) + iteration 73: trace = 2.455162301813824 (0.00501223% change) + iteration 74: trace = 2.454833942889834 (0.0133751% change) + iteration 75: trace = 2.45464384459291 (0.00774414% change) + iteration 76: trace = 2.45447153916897 (0.00701982% change) + iteration 77: trace = 2.454288358163551 (0.00746343% change) + iteration 78: trace = 2.454241911867877 (0.00189247% change) + iteration 79: trace = 2.454144191501273 (0.00398177% change) + iteration 80: trace = 2.454064083702076 (0.00326424% change) + iteration 81: trace = 2.454027302149209 (0.00149881% change) + iteration 82: trace = 2.453898852241847 (0.00523439% change) + iteration 83: trace = 2.453843794825198 (0.0022437% change) + iteration 84: trace = 2.453680586814532 (0.00665134% change) + iteration 85: trace = 2.453475346635203 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trace = 2.449294131143378 (5.03466e-07% change) + iteration 683: trace = 2.449294110241975 (8.53364e-07% change) + iteration 684: trace = 2.449294104523797 (2.33462e-07% change) + iteration 685: trace = 2.449294092826836 (4.77565e-07% change) + iteration 686: trace = 2.449294083531136 (3.79526e-07% change) + iteration 687: trace = 2.449294079553081 (1.62416e-07% change) + iteration 688: trace = 2.449294072527802 (2.86829e-07% change) + iteration 689: trace = 2.449294063617386 (3.63795e-07% change) + iteration 690: trace = 2.449294060961279 (1.08444e-07% change) + iteration 691: trace = 2.449294054563852 (2.61195e-07% change) + iteration 692: trace = 2.449294043703832 (4.43394e-07% change) + iteration 693: trace = 2.44929403966661 (1.64832e-07% change) + iteration 694: trace = 2.449294023659132 (6.53555e-07% change) + iteration 695: trace = 2.449294009580703 (5.74795e-07% change) + iteration 696: trace = 2.449294002815968 (2.76191e-07% change) + iteration 697: trace = 2.449293993007286 (4.0047e-07% change) + iteration 698: trace = 2.449293982634528 (4.235e-07% change) + iteration 699: trace = 2.449293977705261 (2.01253e-07% change) + resetting CG direction... + iteration 700: trace = 2.449293973062273 (1.89564e-07% change) + iteration 701: trace = 2.449293964183319 (3.62511e-07% change) + iteration 702: trace = 2.449293955393771 (3.5886e-07% change) + iteration 703: trace = 2.44929395034996 (2.05929e-07% change) + iteration 704: trace = 2.449293936499057 (5.65506e-07% change) + iteration 705: trace = 2.44929392378627 (5.19039e-07% change) + iteration 706: trace = 2.449293919924887 (1.57653e-07% change) + iteration 707: trace = 2.449293909943706 (4.07513e-07% change) + iteration 708: trace = 2.449293905513437 (1.80879e-07% change) + iteration 709: trace = 2.449293901316994 (1.71333e-07% change) + iteration 710: trace = 2.449293895314629 (2.45065e-07% change) + iteration 711: trace = 2.449293889728289 (2.2808e-07% change) + iteration 712: trace = 2.449293885594809 (1.68762e-07% change) + iteration 713: trace = 2.449293877720086 (3.2151e-07% change) + iteration 714: trace = 2.449293870856418 (2.8023e-07% change) + iteration 715: trace = 2.44929386616968 (1.91351e-07% change) + iteration 716: trace = 2.44929384954024 (6.78948e-07% change) + iteration 717: trace = 2.449293837997495 (4.71268e-07% change) + iteration 718: trace = 2.449293831411095 (2.6891e-07% change) + iteration 719: trace = 2.449293819989424 (4.66325e-07% change) + iteration 720: trace = 2.449293805528533 (5.90411e-07% change) + iteration 721: trace = 2.4492937996945 (2.38192e-07% change) + iteration 722: trace = 2.44929378228428 (7.10826e-07% change) + iteration 723: trace = 2.449293773079291 (3.75822e-07% change) + iteration 724: trace = 2.449293764693057 (3.42394e-07% change) + iteration 725: trace = 2.449293752314885 (5.05377e-07% change) + switching back to exact line minimization + iteration 726: trace = 2.44929374606363 (2.55227e-07% change) linmin: converged after 4 iterations. - iteration 33: trace = 2.459427602421306 (0.0169692% change) + iteration 727: trace = 2.449293736058626 (4.08485e-07% change) + linmin: converged after 12 iterations. + iteration 728: trace = 2.449293726573267 (3.87269e-07% change) + linmin: converged after 19 iterations. + iteration 729: trace = 2.449293720194317 (2.6044e-07% change) + linmin: converged after 6 iterations. + iteration 730: trace = 2.449293717233317 (1.20892e-07% change) + linmin: converged after 13 iterations. + iteration 731: trace = 2.449293712707229 (1.84792e-07% change) + large trace change predicted (4.01062e-07%) linmin: converged after 4 iterations. - iteration 34: trace = 2.459157446319106 (0.0109851% change) - large trace change predicted (0.0241643%) + iteration 732: trace = 2.44929370288374 (4.01074e-07% change) + linmin: converged after 18 iterations. + iteration 733: trace = 2.449293700076857 (1.146e-07% change) + large trace change predicted (5.94853e-07%) linmin: converged after 5 iterations. - iteration 35: trace = 2.458586737331902 (0.0232102% change) - linmin: converged after 4 iterations. - iteration 36: trace = 2.458222225323346 (0.0148272% change) - linmin: converged after 4 iterations. - iteration 37: trace = 2.457860085379453 (0.0147329% change) + iteration 734: trace = 2.449293685506647 (5.94874e-07% change) + linmin: converged after 16 iterations. + iteration 735: trace = 2.449293674964588 (4.30412e-07% change) linmin: converged after 5 iterations. - iteration 38: trace = 2.457513773299919 (0.014091% change) + iteration 736: trace = 2.449293669723095 (2.14e-07% change) + large trace change predicted (6.54406e-07%) linmin: converged after 3 iterations. - iteration 39: trace = 2.457345537405587 (0.00684601% change) + iteration 737: trace = 2.449293653694319 (6.54424e-07% change) linmin: converged after 6 iterations. - iteration 40: trace = 2.45703034207314 (0.0128275% change) - linmin: converged after 4 iterations. - iteration 41: trace = 2.456937176544063 (0.00379187% change) - linmin: converged after 4 iterations. - iteration 42: trace = 2.456770809803269 (0.00677154% change) + iteration 738: trace = 2.449293642202627 (4.69184e-07% change) linmin: converged after 4 iterations. - iteration 43: trace = 2.456644867623719 (0.00512646% change) - linmin: converged after 4 iterations. - iteration 44: trace = 2.456574907473046 (0.00284783% change) - large trace change predicted (0.00678889%) - linmin: converged after 4 iterations. - iteration 45: trace = 2.45640989898521 (0.00671724% change) - linmin: converged after 4 iterations. - iteration 46: trace = 2.456322333503604 (0.00356484% change) - linmin: converged after 4 iterations. - iteration 47: trace = 2.456238010855364 (0.00343294% change) - linmin: converged after 5 iterations. - iteration 48: trace = 2.456190495724837 (0.00193449% change) - large trace change predicted (0.00555259%) - linmin: converged after 4 iterations. - iteration 49: trace = 2.456054376501079 (0.00554204% change) - linmin: converged after 10 iterations. - iteration 50: trace = 2.456008476736466 (0.00186886% change) - large trace change predicted (0.00438779%) - linmin: converged after 3 iterations. - iteration 51: trace = 2.455900532670498 (0.0043952% change) - linmin: converged after 4 iterations. - iteration 52: trace = 2.455832272134057 (0.00277949% change) - linmin: converged after 3 iterations. - iteration 53: trace = 2.455712405685762 (0.00488101% change) - linmin: converged after 3 iterations. - iteration 54: trace = 2.455665064720349 (0.00192781% change) - large trace change predicted (0.00469267%) - linmin: converged after 3 iterations. - iteration 55: trace = 2.455549299739854 (0.00471431% change) - linmin: converged after 8 iterations. - iteration 56: trace = 2.455472788491667 (0.0031159% change) - linmin: converged after 3 iterations. - iteration 57: trace = 2.45535529713201 (0.00478499% change) - linmin: converged after 3 iterations. - iteration 58: trace = 2.455240382596921 (0.00468027% change) - linmin: converged after 3 iterations. - iteration 59: trace = 2.455056695397887 (0.00748171% change) - linmin: converged after 3 iterations. - iteration 60: trace = 2.454878903542058 (0.00724213% change) + iteration 739: trace = 2.449293637947875 (1.73713e-07% change) + large trace change predicted (3.55223e-07%) + linmin: converged after 14 iterations. + iteration 740: trace = 2.4492936292474 (3.55224e-07% change) linmin: converged after 3 iterations. - iteration 61: trace = 2.454746685563653 (0.00538607% change) - linmin: converged after 4 iterations. - iteration 62: trace = 2.454558719119076 (0.00765756% change) + iteration 741: trace = 2.449293615618384 (5.56447e-07% change) linmin: converged after 5 iterations. - iteration 63: trace = 2.454456214757973 (0.00417617% change) - large trace change predicted (0.0093065%) - linmin: converged after 4 iterations. - iteration 64: trace = 2.454226050106184 (0.00937786% change) + iteration 742: trace = 2.449293610773098 (1.97824e-07% change) + large trace change predicted (7.51464e-07%) linmin: converged after 3 iterations. - iteration 65: trace = 2.454124993638424 (0.00411774% change) - linmin: converged after 3 iterations. - iteration 66: trace = 2.453937947114079 (0.00762201% change) - linmin: converged after 5 iterations. - iteration 67: trace = 2.453808924524141 (0.00525792% change) - linmin: converged after 5 iterations. - iteration 68: trace = 2.453622752439474 (0.00758735% change) - linmin: converged after 8 iterations. - iteration 69: trace = 2.453502290651681 (0.00490967% change) - resetting CG direction... - linmin: converged after 4 iterations. - iteration 70: trace = 2.453443032160796 (0.00241529% change) - large trace change predicted (0.00624621%) - linmin: converged after 10 iterations. - iteration 71: trace = 2.453289852552315 (0.00624365% change) + iteration 743: trace = 2.449293592368343 (7.51431e-07% change) linmin: converged after 4 iterations. - iteration 72: trace = 2.453139627224052 (0.00612361% change) + iteration 744: trace = 2.449293586491582 (2.39937e-07% change) + linmin: converged after 16 iterations. + iteration 745: trace = 2.449293579389011 (2.89984e-07% change) linmin: converged after 3 iterations. - iteration 73: trace = 2.453047589137037 (0.00375192% change) - large trace change predicted (0.00966943%) - linmin: converged after 4 iterations. - iteration 74: trace = 2.452811120127543 (0.00964027% change) + iteration 746: trace = 2.449293568313645 (4.52186e-07% change) + linmin: converged after 13 iterations. + iteration 747: trace = 2.44929355950456 (3.59658e-07% change) + linmin: converged after 10 iterations. + iteration 748: trace = 2.449293556576734 (1.19538e-07% change) + large trace change predicted (4.50257e-07%) linmin: converged after 4 iterations. - iteration 75: trace = 2.452613550181715 (0.00805516% change) - linmin: converged after 12 iterations. - iteration 76: trace = 2.452556513243382 (0.00232558% change) - large trace change predicted (0.00551969%) + iteration 749: trace = 2.44929354554865 (4.50256e-07% change) + linmin: converged after 10 iterations. + iteration 750: trace = 2.449293539684156 (2.39436e-07% change) linmin: converged after 4 iterations. - iteration 77: trace = 2.452421751157438 (0.00549491% change) + iteration 751: trace = 2.44929353471324 (2.02953e-07% change) linmin: converged after 4 iterations. - iteration 78: trace = 2.452338171908109 (0.00340809% change) + iteration 752: trace = 2.449293525913828 (3.59263e-07% change) + linmin: converged after 6 iterations. + iteration 753: trace = 2.449293510510274 (6.28898e-07% change) linmin: converged after 3 iterations. - iteration 79: trace = 2.452304528611742 (0.0013719% change) - large trace change predicted (0.00452318%) + iteration 754: trace = 2.449293507041907 (1.41607e-07% change) + large trace change predicted (6.58884e-07%) + linmin: converged after 14 iterations. + iteration 755: trace = 2.44929349090285 (6.58927e-07% change) linmin: converged after 7 iterations. - iteration 80: trace = 2.452193711038556 (0.00451902% change) - linmin: converged after 3 iterations. - iteration 81: trace = 2.45208375148069 (0.00448423% change) + iteration 756: trace = 2.449293478033173 (5.25444e-07% change) linmin: converged after 5 iterations. - iteration 82: trace = 2.452050074217855 (0.00137342% change) - large trace change predicted (0.00426051%) - linmin: converged after 3 iterations. - iteration 83: trace = 2.451945262619128 (0.00427454% change) - linmin: converged after 3 iterations. - iteration 84: trace = 2.451876310389238 (0.00281218% change) - linmin: converged after 3 iterations. - iteration 85: trace = 2.451838832456642 (0.00152855% change) - large trace change predicted (0.00517283%) - linmin: converged after 3 iterations. - iteration 86: trace = 2.451711427988326 (0.00519642% change) - linmin: converged after 3 iterations. - iteration 87: trace = 2.451670646216947 (0.00166341% change) - linmin: converged after 3 iterations. - iteration 88: trace = 2.451615519044859 (0.00224858% change) - linmin: converged after 3 iterations. - iteration 89: trace = 2.451565621590008 (0.00203531% change) - linmin: converged after 3 iterations. - iteration 90: trace = 2.451543027522145 (0.000921622% change) - large trace change predicted (0.00192522%) - linmin: converged after 3 iterations. - iteration 91: trace = 2.451495728261631 (0.00192939% change) - linmin: converged after 3 iterations. - iteration 92: trace = 2.451437605040677 (0.00237096% change) + iteration 757: trace = 2.449293472993872 (2.05745e-07% change) + large trace change predicted (5.42863e-07%) linmin: converged after 4 iterations. - iteration 93: trace = 2.451416673918753 (0.000853834% change) - linmin: converged after 3 iterations. - iteration 94: trace = 2.451379894691538 (0.00150034% change) - linmin: converged after 3 iterations. - iteration 95: trace = 2.451331042382565 (0.00199287% change) - linmin: converged after 4 iterations. - iteration 96: trace = 2.451320221847723 (0.000441416% change) - large trace change predicted (0.00157851%) + iteration 758: trace = 2.449293459697691 (5.42858e-07% change) linmin: converged after 4 iterations. - iteration 97: trace = 2.451281413782899 (0.00158316% change) - linmin: converged after 3 iterations. - iteration 98: trace = 2.451252091299369 (0.00119622% change) - linmin: converged after 3 iterations. - iteration 99: trace = 2.451242581911746 (0.000387941% change) - large trace change predicted (0.00130295%) - linmin: converged after 3 iterations. - iteration 100: trace = 2.451210624800765 (0.00130372% change) - linmin: converged after 3 iterations. - iteration 101: trace = 2.451185412647113 (0.00102856% change) - linmin: converged after 3 iterations. - iteration 102: trace = 2.451169674858531 (0.00064205% change) - large trace change predicted (0.00233933%) - linmin: converged after 5 iterations. - iteration 103: trace = 2.451112375676283 (0.00233765% change) - linmin: converged after 5 iterations. - iteration 104: trace = 2.451069764357206 (0.00173846% change) - linmin: converged after 3 iterations. - iteration 105: trace = 2.451014350329364 (0.00226084% change) + iteration 759: trace = 2.449293445537357 (5.7814e-07% change) linmin: converged after 4 iterations. - iteration 106: trace = 2.450936365136954 (0.0031818% change) - linmin: converged after 3 iterations. - iteration 107: trace = 2.450891633901529 (0.00182508% change) + iteration 760: trace = 2.449293442287569 (1.32683e-07% change) + large trace change predicted (4.29599e-07%) linmin: converged after 4 iterations. - iteration 108: trace = 2.450830588419405 (0.00249078% change) + iteration 761: trace = 2.449293431765553 (4.29594e-07% change) linmin: converged after 4 iterations. - iteration 109: trace = 2.450789777787804 (0.00166519% change) - linmin: converged after 4 iterations. - iteration 110: trace = 2.450776845576188 (0.000527677% change) - large trace change predicted (0.0011851%) - linmin: converged after 3 iterations. - iteration 111: trace = 2.450747795704801 (0.00118534% change) - linmin: converged after 3 iterations. - iteration 112: trace = 2.45070867046777 (0.00159647% change) - linmin: converged after 4 iterations. - iteration 113: trace = 2.450695835826789 (0.000523713% change) - large trace change predicted (0.00227204%) - linmin: converged after 3 iterations. - iteration 114: trace = 2.450640084149246 (0.00227496% change) - linmin: converged after 3 iterations. - iteration 115: trace = 2.450616935395414 (0.000944605% change) - linmin: converged after 9 iterations. - iteration 116: trace = 2.45059690168018 (0.0008175% change) - linmin: converged after 4 iterations. - iteration 117: trace = 2.450567708239303 (0.00119129% change) - linmin: converged after 10 iterations. - iteration 118: trace = 2.450560050181016 (0.000312502% change) - linmin: converged after 3 iterations. - iteration 119: trace = 2.450544723924295 (0.00062542% change) - linmin: converged after 3 iterations. - iteration 120: trace = 2.450518156850831 (0.00108414% change) - linmin: converged after 3 iterations. - iteration 121: trace = 2.450508153452435 (0.000408216% change) - large trace change predicted (0.00138829%) - linmin: converged after 7 iterations. - iteration 122: trace = 2.450474160996835 (0.00138717% change) - linmin: converged after 5 iterations. - iteration 123: trace = 2.450413549363673 (0.0024735% change) - linmin: converged after 4 iterations. - iteration 124: trace = 2.450399865463202 (0.000558434% change) - large trace change predicted (0.00263932%) - linmin: converged after 5 iterations. - iteration 125: trace = 2.450335324898945 (0.00263391% change) - linmin: converged after 5 iterations. - iteration 126: trace = 2.450316241452061 (0.000778813% change) - large trace change predicted (0.00253213%) - linmin: converged after 4 iterations. - iteration 127: trace = 2.45025425553424 (0.00252974% change) - linmin: converged after 5 iterations. - iteration 128: trace = 2.450208223330985 (0.00187869% change) - linmin: converged after 6 iterations. - iteration 129: trace = 2.450190012010325 (0.000743259% change) - large trace change predicted (0.00218248%) - linmin: converged after 6 iterations. - iteration 130: trace = 2.450136625348235 (0.0021789% change) - linmin: converged after 3 iterations. - iteration 131: trace = 2.45007660677115 (0.00244963% change) + iteration 762: trace = 2.449293422362398 (3.83913e-07% change) + linmin: converged after 13 iterations. + iteration 763: trace = 2.449293418996041 (1.37442e-07% change) + large trace change predicted (5.7045e-07%) + linmin: converged after 21 iterations. + iteration 764: trace = 2.449293405024895 (5.70415e-07% change) linmin: converged after 5 iterations. - iteration 132: trace = 2.450058966325326 (0.000719998% change) + iteration 765: trace = 2.449293397974333 (2.87861e-07% change) + linmin: converged after 2 iterations. + iteration 766: trace = 2.449293393989558 (1.62691e-07% change) linmin: converged after 3 iterations. - iteration 133: trace = 2.450024373740196 (0.00141192% change) + iteration 767: trace = 2.449293387098369 (2.81354e-07% change) linmin: converged after 7 iterations. - iteration 134: trace = 2.449978667631108 (0.00186555% change) - linmin: converged after 5 iterations. - iteration 135: trace = 2.449968895169002 (0.00039888% change) - large trace change predicted (0.00120772%) - linmin: converged after 3 iterations. - iteration 136: trace = 2.449939300285809 (0.00120798% change) - linmin: converged after 5 iterations. - iteration 137: trace = 2.449919722834263 (0.000799103% change) + iteration 768: trace = 2.449293383060647 (1.64853e-07% change) linmin: converged after 4 iterations. - iteration 138: trace = 2.449912947473968 (0.000276555% change) - linmin: converged after 3 iterations. - iteration 139: trace = 2.449900616488089 (0.000503325% change) + iteration 769: trace = 2.449293380741572 (9.46834e-08% change) resetting CG direction... - linmin: converged after 3 iterations. - iteration 140: trace = 2.449894928085868 (0.000232189% change) - linmin: converged after 3 iterations. - iteration 141: trace = 2.449892297164892 (0.000107389% change) - large trace change predicted (0.000347819%) - linmin: converged after 3 iterations. - iteration 142: trace = 2.449883775175338 (0.000347852% change) - linmin: converged after 3 iterations. - iteration 143: trace = 2.449876756247481 (0.000286501% change) - linmin: converged after 3 iterations. - iteration 144: trace = 2.449872120281262 (0.000189233% change) - large trace change predicted (0.000699813%) - linmin: converged after 3 iterations. - iteration 145: trace = 2.449854947385739 (0.000700974% change) - linmin: converged after 3 iterations. - iteration 146: trace = 2.449848346406646 (0.000269444% change) - linmin: converged after 3 iterations. - iteration 147: trace = 2.449839794164459 (0.000349093% change) - linmin: converged after 3 iterations. - iteration 148: trace = 2.44982675320189 (0.00053232% change) - linmin: converged after 3 iterations. - iteration 149: trace = 2.44982009809765 (0.000271656% change) - linmin: converged after 5 iterations. - iteration 150: trace = 2.449813599191857 (0.000265281% change) - linmin: converged after 3 iterations. - iteration 151: trace = 2.449804672061759 (0.000364401% change) - linmin: converged after 3 iterations. - iteration 152: trace = 2.449797710245926 (0.000284179% change) - linmin: converged after 3 iterations. - iteration 153: trace = 2.449789793231324 (0.000323171% change) - linmin: converged after 3 iterations. - iteration 154: trace = 2.449775125541931 (0.000598734% change) - linmin: converged after 3 iterations. - iteration 155: trace = 2.449771197568826 (0.00016034% change) - large trace change predicted (0.00043704%) - linmin: converged after 3 iterations. - iteration 156: trace = 2.449760491406805 (0.000437028% change) - linmin: converged after 3 iterations. - iteration 157: trace = 2.449754538208532 (0.000243012% change) - linmin: converged after 4 iterations. - iteration 158: trace = 2.44975190290616 (0.000107574% change) - linmin: converged after 3 iterations. - iteration 159: trace = 2.449747997430265 (0.000159423% change) - linmin: converged after 3 iterations. - iteration 160: trace = 2.449743927761397 (0.000166126% change) + linmin: converged after 6 iterations. + iteration 770: trace = 2.449293378560334 (8.90558e-08% change) + linmin: converged after 10 iterations. + iteration 771: trace = 2.449293375118193 (1.40536e-07% change) linmin: converged after 8 iterations. - iteration 161: trace = 2.449742718999893 (4.93424e-05% change) - large trace change predicted (0.000191012%) - linmin: converged after 3 iterations. - iteration 162: trace = 2.449738039373347 (0.000191025% change) - linmin: converged after 3 iterations. - iteration 163: trace = 2.44973159509182 (0.00026306% change) - linmin: converged after 3 iterations. - iteration 164: trace = 2.449729576492104 (8.24009e-05% change) - large trace change predicted (0.000358109%) - linmin: converged after 3 iterations. - iteration 165: trace = 2.449720797798945 (0.000358354% change) - linmin: converged after 3 iterations. - iteration 166: trace = 2.449714042868065 (0.000275743% change) - linmin: converged after 3 iterations. - iteration 167: trace = 2.449711750524444 (9.3576e-05% change) - large trace change predicted (0.000277937%) - linmin: converged after 3 iterations. - iteration 168: trace = 2.44970493912474 (0.000278049% change) - linmin: converged after 3 iterations. - iteration 169: trace = 2.449697452299737 (0.000305622% change) + iteration 772: trace = 2.449293369252413 (2.39489e-07% change) linmin: converged after 4 iterations. - iteration 170: trace = 2.449695298508223 (8.79208e-05% change) - large trace change predicted (0.000350526%) + iteration 773: trace = 2.449293366409639 (1.16065e-07% change) + large trace change predicted (2.99612e-07%) + linmin: converged after 10 iterations. + iteration 774: trace = 2.449293359071037 (2.99621e-07% change) + linmin: converged after 10 iterations. + iteration 775: trace = 2.449293348118467 (4.47173e-07% change) + linmin: converged after 10 iterations. + iteration 776: trace = 2.449293345234544 (1.17745e-07% change) + large trace change predicted (3.99333e-07%) linmin: converged after 5 iterations. - iteration 171: trace = 2.44968670212081 (0.000350917% change) - linmin: converged after 3 iterations. - iteration 172: trace = 2.449677776996352 (0.000364338% change) - linmin: converged after 4 iterations. - iteration 173: trace = 2.449674469734727 (0.000135008% change) - large trace change predicted (0.000279896%) + iteration 777: trace = 2.44929333545348 (3.99342e-07% change) linmin: converged after 4 iterations. - iteration 174: trace = 2.44966760675598 (0.000280159% change) - linmin: converged after 3 iterations. - iteration 175: trace = 2.449659910863249 (0.000314161% change) - linmin: converged after 3 iterations. - iteration 176: trace = 2.449657742566564 (8.85142e-05% change) - large trace change predicted (0.000235374%) + iteration 778: trace = 2.449293328467707 (2.85216e-07% change) + linmin: converged after 7 iterations. + iteration 779: trace = 2.449293325597724 (1.17176e-07% change) + large trace change predicted (4.1754e-07%) + linmin: converged after 16 iterations. + iteration 780: trace = 2.449293315370831 (4.17545e-07% change) linmin: converged after 4 iterations. - iteration 177: trace = 2.449651976958328 (0.000235364% change) + iteration 781: trace = 2.44929330779151 (3.09449e-07% change) + linmin: converged after 7 iterations. + iteration 782: trace = 2.449293301575526 (2.53787e-07% change) linmin: converged after 5 iterations. - iteration 178: trace = 2.449647863086536 (0.000167937% change) - linmin: converged after 3 iterations. - iteration 179: trace = 2.449645899921092 (8.01408e-05% change) - large trace change predicted (0.000191846%) - linmin: converged after 3 iterations. - iteration 180: trace = 2.449641202496829 (0.00019176% change) + iteration 783: trace = 2.449293290943529 (4.34084e-07% change) + linmin: converged after 18 iterations. + iteration 784: trace = 2.449293281071938 (4.03038e-07% change) linmin: converged after 4 iterations. - iteration 181: trace = 2.449636735161266 (0.000182367% change) - linmin: converged after 3 iterations. - iteration 182: trace = 2.449634470661315 (9.24423e-05% change) - large trace change predicted (0.000270107%) + iteration 785: trace = 2.449293278515001 (1.04395e-07% change) + large trace change predicted (4.52546e-07%) + linmin: converged after 9 iterations. + iteration 786: trace = 2.449293267431147 (4.52533e-07% change) linmin: converged after 5 iterations. - iteration 183: trace = 2.449627871274931 (0.000269403% change) - linmin: converged after 4 iterations. - iteration 184: trace = 2.449623554131188 (0.000176237% change) - linmin: converged after 4 iterations. - iteration 185: trace = 2.449620056907789 (0.000142766% change) - large trace change predicted (0.000335748%) - linmin: converged after 4 iterations. - iteration 186: trace = 2.449611849363315 (0.000335054% change) - linmin: converged after 4 iterations. - iteration 187: trace = 2.449608040109787 (0.000155504% change) - linmin: converged after 3 iterations. - iteration 188: trace = 2.449605467155713 (0.000105035% change) - large trace change predicted (0.000303699%) - linmin: converged after 4 iterations. - iteration 189: trace = 2.449598032848582 (0.00030349% change) - linmin: converged after 4 iterations. - iteration 190: trace = 2.449593219874764 (0.00019648% change) + iteration 787: trace = 2.44929326157263 (2.39192e-07% change) + linmin: converged after 10 iterations. + iteration 788: trace = 2.449293259364913 (9.01369e-08% change) + large trace change predicted (1.85644e-07%) + linmin: converged after 11 iterations. + iteration 789: trace = 2.449293254817974 (1.85643e-07% change) linmin: converged after 4 iterations. - iteration 191: trace = 2.449588354301449 (0.000198628% change) - large trace change predicted (0.000570807%) + iteration 790: trace = 2.449293248461073 (2.5954e-07% change) linmin: converged after 4 iterations. - iteration 192: trace = 2.449574368305194 (0.000570955% change) - linmin: converged after 3 iterations. - iteration 193: trace = 2.449571037661758 (0.000135968% change) - large trace change predicted (0.000443751%) - linmin: converged after 3 iterations. - iteration 194: trace = 2.449560154441408 (0.000444292% change) - linmin: converged after 3 iterations. - iteration 195: trace = 2.449553072147829 (0.000289126% change) + iteration 791: trace = 2.44929324676806 (6.91225e-08% change) + large trace change predicted (2.15931e-07%) linmin: converged after 4 iterations. - iteration 196: trace = 2.449550235492469 (0.000115803% change) - linmin: converged after 5 iterations. - iteration 197: trace = 2.4495459453966 (0.000175138% change) - linmin: converged after 3 iterations. - iteration 198: trace = 2.449540040244491 (0.000241072% change) + iteration 792: trace = 2.449293241479301 (2.1593e-07% change) linmin: converged after 4 iterations. - iteration 199: trace = 2.449538438544594 (6.53878e-05% change) - large trace change predicted (0.000254687%) - linmin: converged after 3 iterations. - iteration 200: trace = 2.449532193103362 (0.000254964% change) - linmin: converged after 3 iterations. - iteration 201: trace = 2.449527758252526 (0.000181049% change) + iteration 793: trace = 2.449293235317755 (2.51564e-07% change) linmin: converged after 4 iterations. - iteration 202: trace = 2.449524350155484 (0.000139133% change) - large trace change predicted (0.000355804%) - linmin: converged after 3 iterations. - iteration 203: trace = 2.449515628717529 (0.000356047% change) - linmin: converged after 3 iterations. - iteration 204: trace = 2.44950434102122 (0.000460814% change) - linmin: converged after 5 iterations. - iteration 205: trace = 2.449499987722562 (0.000177722% change) + iteration 794: trace = 2.449293233472821 (7.53252e-08% change) + large trace change predicted (2.6498e-07%) + linmin: converged after 10 iterations. + iteration 795: trace = 2.449293226982576 (2.64984e-07% change) + linmin: converged after 6 iterations. + iteration 796: trace = 2.449293218586284 (3.42805e-07% change) + linmin: converged after 9 iterations. + iteration 797: trace = 2.449293216795594 (7.31105e-08% change) + large trace change predicted (2.56793e-07%) + linmin: converged after 18 iterations. + iteration 798: trace = 2.449293210505888 (2.56797e-07% change) + linmin: converged after 10 iterations. + iteration 799: trace = 2.449293204810226 (2.32543e-07% change) linmin: converged after 4 iterations. - iteration 206: trace = 2.449492604326722 (0.000301425% change) + iteration 800: trace = 2.449293201001959 (1.55484e-07% change) linmin: converged after 4 iterations. - iteration 207: trace = 2.44948359743051 (0.000367705% change) + iteration 801: trace = 2.449293197322712 (1.50217e-07% change) + large trace change predicted (3.12912e-07%) + linmin: converged after 21 iterations. + iteration 802: trace = 2.449293189658681 (3.12908e-07% change) linmin: converged after 4 iterations. - iteration 208: trace = 2.449477982953384 (0.000229211% change) - large trace change predicted (0.000702352%) - linmin: converged after 12 iterations. - iteration 209: trace = 2.449460783306508 (0.000702178% change) - resetting CG direction... - linmin: converged after 3 iterations. - iteration 210: trace = 2.449456833401014 (0.000161256% change) - linmin: converged after 3 iterations. - iteration 211: trace = 2.44945356137018 (0.000133582% change) - linmin: converged after 3 iterations. - iteration 212: trace = 2.449447706901437 (0.000239012% change) - linmin: converged after 3 iterations. - iteration 213: trace = 2.449445022868559 (0.000109577% change) + iteration 803: trace = 2.449293186604344 (1.24703e-07% change) linmin: converged after 4 iterations. - iteration 214: trace = 2.449441809454352 (0.00013119% change) + iteration 804: trace = 2.449293181650352 (2.02262e-07% change) linmin: converged after 3 iterations. - iteration 215: trace = 2.449436494333873 (0.000216993% change) - linmin: converged after 4 iterations. - iteration 216: trace = 2.449435634144355 (3.51179e-05% change) - large trace change predicted (0.000115454%) + iteration 805: trace = 2.449293175289371 (2.59707e-07% change) linmin: converged after 7 iterations. - iteration 217: trace = 2.449432806490806 (0.000115441% change) - linmin: converged after 5 iterations. - iteration 218: trace = 2.449430943565843 (7.60554e-05% change) - linmin: converged after 3 iterations. - iteration 219: trace = 2.449430283245927 (2.69581e-05% change) - large trace change predicted (7.00848e-05%) - linmin: converged after 3 iterations. - iteration 220: trace = 2.4494285668072 (7.0075e-05% change) - linmin: converged after 3 iterations. - iteration 221: trace = 2.449426521749749 (8.34912e-05% change) + iteration 806: trace = 2.449293170300556 (2.03684e-07% change) linmin: converged after 5 iterations. - iteration 222: trace = 2.449425564425491 (3.90836e-05% change) - linmin: converged after 2 iterations. - iteration 223: trace = 2.449424332606356 (5.02901e-05% change) - large trace change predicted (0.000110628%) - linmin: converged after 4 iterations. - iteration 224: trace = 2.449421624089753 (0.000110578% change) - linmin: converged after 3 iterations. - iteration 225: trace = 2.449420972287295 (2.66105e-05% change) - large trace change predicted (0.000117549%) - linmin: converged after 3 iterations. - iteration 226: trace = 2.44941809362175 (0.000117524% change) - linmin: converged after 4 iterations. - iteration 227: trace = 2.449415830015894 (9.24141e-05% change) - linmin: converged after 3 iterations. - iteration 228: trace = 2.449414718488296 (4.53793e-05% change) - large trace change predicted (0.000115058%) + iteration 807: trace = 2.449293168794989 (6.14694e-08% change) + linmin: converged after 7 iterations. + iteration 808: trace = 2.449293166297478 (1.01969e-07% change) + linmin: converged after 8 iterations. + iteration 809: trace = 2.449293164629502 (6.81003e-08% change) linmin: converged after 4 iterations. - iteration 229: trace = 2.44941189853066 (0.000115128% change) - linmin: converged after 3 iterations. - iteration 230: trace = 2.44940933423477 (0.00010469% change) - linmin: converged after 3 iterations. - iteration 231: trace = 2.449408340684099 (4.05629e-05% change) - large trace change predicted (8.16384e-05%) - linmin: converged after 5 iterations. - iteration 232: trace = 2.449406340469369 (8.16612e-05% change) - linmin: converged after 3 iterations. - iteration 233: trace = 2.449405028464091 (5.35642e-05% change) - linmin: converged after 3 iterations. - iteration 234: trace = 2.449404092537489 (3.82104e-05% change) - large trace change predicted (8.28283e-05%) - linmin: converged after 3 iterations. - iteration 235: trace = 2.44940206187908 (8.29042e-05% change) - linmin: converged after 3 iterations. - iteration 236: trace = 2.449399970633329 (8.53778e-05% change) - linmin: converged after 3 iterations. - iteration 237: trace = 2.449399438628353 (2.17198e-05% change) - large trace change predicted (4.51547e-05%) - linmin: converged after 5 iterations. - iteration 238: trace = 2.449398332309524 (4.5167e-05% change) - linmin: converged after 3 iterations. - iteration 239: trace = 2.449397249574377 (4.42041e-05% change) - linmin: converged after 17 iterations. - iteration 240: trace = 2.449396918889177 (1.35007e-05% change) - large trace change predicted (4.03617e-05%) + iteration 810: trace = 2.449293163304676 (5.40901e-08% change) + large trace change predicted (1.94275e-07%) linmin: converged after 4 iterations. - iteration 241: trace = 2.449395930071235 (4.03699e-05% change) - linmin: converged after 3 iterations. - iteration 242: trace = 2.449395427205492 (2.05302e-05% change) + iteration 811: trace = 2.449293158546322 (1.94275e-07% change) linmin: converged after 4 iterations. - iteration 243: trace = 2.449394631572639 (3.24828e-05% change) - linmin: converged after 3 iterations. - iteration 244: trace = 2.449393535117366 (4.47643e-05% change) - linmin: converged after 3 iterations. - iteration 245: trace = 2.449392892400704 (2.62398e-05% change) - large trace change predicted (5.28152e-05%) - linmin: converged after 3 iterations. - iteration 246: trace = 2.449391598931955 (5.28077e-05% change) + iteration 812: trace = 2.449293152702124 (2.38608e-07% change) linmin: converged after 4 iterations. - iteration 247: trace = 2.449389530665272 (8.44401e-05% change) + iteration 813: trace = 2.449293150906728 (7.33026e-08% change) + large trace change predicted (1.70286e-07%) linmin: converged after 4 iterations. - iteration 248: trace = 2.449389083026784 (1.82755e-05% change) - large trace change predicted (4.96657e-05%) - linmin: converged after 3 iterations. - iteration 249: trace = 2.449387866663815 (4.96599e-05% change) - linmin: converged after 5 iterations. - iteration 250: trace = 2.449386564837664 (5.31491e-05% change) + iteration 814: trace = 2.449293146735906 (1.70287e-07% change) linmin: converged after 4 iterations. - iteration 251: trace = 2.449385904981976 (2.69396e-05% change) - large trace change predicted (6.63516e-05%) + iteration 815: trace = 2.449293141046376 (2.32293e-07% change) linmin: converged after 4 iterations. - iteration 252: trace = 2.449384280072972 (6.63395e-05% change) + iteration 816: trace = 2.449293137910131 (1.28047e-07% change) linmin: converged after 5 iterations. - iteration 253: trace = 2.449382919473211 (5.55487e-05% change) + iteration 817: trace = 2.449293133885659 (1.64312e-07% change) + linmin: converged after 13 iterations. + iteration 818: trace = 2.449293128079159 (2.37068e-07% change) + linmin: converged after 7 iterations. + iteration 819: trace = 2.449293126151441 (7.87051e-08% change) + large trace change predicted (1.66285e-07%) + linmin: converged after 7 iterations. + iteration 820: trace = 2.449293122078739 (1.66281e-07% change) + linmin: converged after 11 iterations. + iteration 821: trace = 2.449293116987697 (2.07858e-07% change) + linmin: converged after 6 iterations. + iteration 822: trace = 2.449293115887193 (4.49315e-08% change) + large trace change predicted (2.25876e-07%) linmin: converged after 4 iterations. - iteration 254: trace = 2.44938248846367 (1.75967e-05% change) - large trace change predicted (3.57597e-05%) - linmin: converged after 3 iterations. - iteration 255: trace = 2.449381612567119 (3.57599e-05% change) - linmin: converged after 3 iterations. - iteration 256: trace = 2.449380478365786 (4.63056e-05% change) + iteration 823: trace = 2.449293110354801 (2.25877e-07% change) linmin: converged after 4 iterations. - iteration 257: trace = 2.44938005351113 (1.73454e-05% change) - large trace change predicted (4.27343e-05%) - linmin: converged after 8 iterations. - iteration 258: trace = 2.449379006781027 (4.27345e-05% change) - linmin: converged after 3 iterations. - iteration 259: trace = 2.449378058758882 (3.87046e-05% change) - linmin: converged after 3 iterations. - iteration 260: trace = 2.44937765001109 (1.66878e-05% change) + iteration 824: trace = 2.449293107354476 (1.22498e-07% change) + linmin: converged after 10 iterations. + iteration 825: trace = 2.449293106025682 (5.42522e-08% change) linmin: converged after 7 iterations. - iteration 261: trace = 2.449376845670606 (3.28386e-05% change) - linmin: converged after 4 iterations. - iteration 262: trace = 2.449375720676586 (4.59298e-05% change) - linmin: converged after 2 iterations. - iteration 263: trace = 2.449375362732151 (1.46137e-05% change) - large trace change predicted (6.46068e-05%) - linmin: converged after 3 iterations. - iteration 264: trace = 2.449373780814214 (6.45846e-05% change) + iteration 826: trace = 2.449293103628695 (9.78644e-08% change) linmin: converged after 6 iterations. - iteration 265: trace = 2.449372755734355 (4.18507e-05% change) - linmin: converged after 3 iterations. - iteration 266: trace = 2.449371792432491 (3.93285e-05% change) - large trace change predicted (8.58709e-05%) + iteration 827: trace = 2.449293101145195 (1.01397e-07% change) linmin: converged after 4 iterations. - iteration 267: trace = 2.449369690449359 (8.58173e-05% change) - linmin: converged after 5 iterations. - iteration 268: trace = 2.449368874852692 (3.32982e-05% change) - linmin: converged after 9 iterations. - iteration 269: trace = 2.449367793256231 (4.41582e-05% change) + iteration 828: trace = 2.449293100541579 (2.46445e-08% change) + large trace change predicted (7.92465e-08%) + linmin: converged after 11 iterations. + iteration 829: trace = 2.449293098600594 (7.92467e-08% change) linmin: converged after 4 iterations. - iteration 270: trace = 2.449366630582098 (4.74683e-05% change) - linmin: converged after 3 iterations. - iteration 271: trace = 2.449366243658539 (1.57969e-05% change) + iteration 830: trace = 2.44929309683898 (7.19234e-08% change) linmin: converged after 3 iterations. - iteration 272: trace = 2.44936563589116 (2.48133e-05% change) - large trace change predicted (5.39394e-05%) + iteration 831: trace = 2.449293096168579 (2.73712e-08% change) + large trace change predicted (1.13166e-07%) linmin: converged after 4 iterations. - iteration 273: trace = 2.449364314802962 (5.39359e-05% change) - linmin: converged after 4 iterations. - iteration 274: trace = 2.449363950319062 (1.48808e-05% change) - large trace change predicted (4.77899e-05%) - linmin: converged after 4 iterations. - iteration 275: trace = 2.44936277967462 (4.77938e-05% change) + iteration 832: trace = 2.44929309339681 (1.13166e-07% change) + linmin: converged after 8 iterations. + iteration 833: trace = 2.449293089062443 (1.76964e-07% change) + linmin: converged after 18 iterations. + iteration 834: trace = 2.449293087562691 (6.1232e-08% change) linmin: converged after 4 iterations. - iteration 276: trace = 2.449361829792793 (3.87808e-05% change) + iteration 835: trace = 2.449293084570974 (1.22146e-07% change) + linmin: converged after 16 iterations. + iteration 836: trace = 2.449293081277256 (1.34476e-07% change) + linmin: converged after 6 iterations. + iteration 837: trace = 2.44929308025127 (4.1889e-08% change) + large trace change predicted (8.60764e-08%) linmin: converged after 3 iterations. - iteration 277: trace = 2.449361467655149 (1.4785e-05% change) - linmin: converged after 4 iterations. - iteration 278: trace = 2.449360860224534 (2.47996e-05% change) - linmin: converged after 4 iterations. - iteration 279: trace = 2.449360329464341 (2.16693e-05% change) + iteration 838: trace = 2.449293078143015 (8.60761e-08% change) + large trace change predicted (7.30738e-07%) + linmin: converged after 5 iterations. + iteration 839: trace = 2.449293060245251 (7.30732e-07% change) resetting CG direction... - linmin: converged after 3 iterations. - iteration 280: trace = 2.449360193325828 (5.55813e-06% change) - linmin: converged after 3 iterations. - iteration 281: trace = 2.44935994618302 (1.00901e-05% change) + linmin: converged after 11 iterations. + iteration 840: trace = 2.449293054537464 (2.33038e-07% change) linmin: converged after 4 iterations. - iteration 282: trace = 2.449359517939592 (1.74839e-05% change) + iteration 841: trace = 2.449293047241663 (2.97874e-07% change) linmin: converged after 4 iterations. - iteration 283: trace = 2.449359305809744 (8.66063e-06% change) - large trace change predicted (2.59609e-05%) - linmin: converged after 3 iterations. - iteration 284: trace = 2.449358669905291 (2.59621e-05% change) + iteration 842: trace = 2.449293044456269 (1.13722e-07% change) linmin: converged after 3 iterations. - iteration 285: trace = 2.449357632577434 (4.2351e-05% change) - linmin: converged after 5 iterations. - iteration 286: trace = 2.449357341680221 (1.18765e-05% change) - large trace change predicted (3.95153e-05%) + iteration 843: trace = 2.449293042213387 (9.15727e-08% change) + linmin: converged after 2 iterations. + iteration 844: trace = 2.449293039024727 (1.30187e-07% change) linmin: converged after 4 iterations. - iteration 287: trace = 2.449356373621772 (3.9523e-05% change) + iteration 845: trace = 2.449293037610063 (5.77581e-08% change) linmin: converged after 5 iterations. - iteration 288: trace = 2.449355959338408 (1.6914e-05% change) - linmin: converged after 3 iterations. - iteration 289: trace = 2.44935569552776 (1.07706e-05% change) - large trace change predicted (3.00168e-05%) - linmin: converged after 4 iterations. - iteration 290: trace = 2.449354960250441 (3.00192e-05% change) - linmin: converged after 4 iterations. - iteration 291: trace = 2.449354411930939 (2.23863e-05% change) - linmin: converged after 3 iterations. - iteration 292: trace = 2.449353722148272 (2.81618e-05% change) - linmin: converged after 4 iterations. - iteration 293: trace = 2.449352721232571 (4.08645e-05% change) + iteration 846: trace = 2.449293036143242 (5.98875e-08% change) linmin: converged after 4 iterations. - iteration 294: trace = 2.449351915117644 (3.29114e-05% change) + iteration 847: trace = 2.449293033472586 (1.09038e-07% change) linmin: converged after 4 iterations. - iteration 295: trace = 2.449351557043779 (1.46191e-05% change) - large trace change predicted (3.86143e-05%) + iteration 848: trace = 2.449293031098547 (9.69275e-08% change) + linmin: converged after 8 iterations. + iteration 849: trace = 2.449293030006221 (4.45976e-08% change) linmin: converged after 4 iterations. - iteration 296: trace = 2.449350611060736 (3.86218e-05% change) + iteration 850: trace = 2.449293027986834 (8.24478e-08% change) + linmin: converged after 5 iterations. + iteration 851: trace = 2.449293026809358 (4.80741e-08% change) + linmin: converged after 6 iterations. + iteration 852: trace = 2.449293026153198 (2.67898e-08% change) linmin: converged after 4 iterations. - iteration 297: trace = 2.449350207537366 (1.64747e-05% change) - linmin: converged after 3 iterations. - iteration 298: trace = 2.449349864380816 (1.40101e-05% change) + iteration 853: trace = 2.449293024849047 (5.3246e-08% change) linmin: converged after 4 iterations. - iteration 299: trace = 2.449349481121152 (1.56474e-05% change) + iteration 854: trace = 2.449293022835012 (8.22293e-08% change) linmin: converged after 4 iterations. - iteration 300: trace = 2.449349187572277 (1.19848e-05% change) - linmin: converged after 3 iterations. - iteration 301: trace = 2.449348824996862 (1.48029e-05% change) + iteration 855: trace = 2.449293022122792 (2.90786e-08% change) + large trace change predicted (1.00649e-07%) + linmin: converged after 6 iterations. + iteration 856: trace = 2.44929301965759 (1.0065e-07% change) linmin: converged after 4 iterations. - iteration 302: trace = 2.449348207170472 (2.52241e-05% change) - linmin: converged after 3 iterations. - iteration 303: trace = 2.449347842976861 (1.4869e-05% change) - linmin: converged after 10 iterations. - iteration 304: trace = 2.449347307150961 (2.18763e-05% change) - linmin: converged after 3 iterations. - iteration 305: trace = 2.449346702238563 (2.46969e-05% change) + iteration 857: trace = 2.449293016705111 (1.20544e-07% change) + linmin: converged after 13 iterations. + iteration 858: trace = 2.449293015415832 (5.26389e-08% change) + large trace change predicted (1.24555e-07%) linmin: converged after 4 iterations. - iteration 306: trace = 2.449346058070105 (2.62996e-05% change) - linmin: converged after 3 iterations. - iteration 307: trace = 2.449345847039887 (8.61578e-06% change) - large trace change predicted (3.02896e-05%) - linmin: converged after 3 iterations. - iteration 308: trace = 2.449345104999269 (3.02955e-05% change) + iteration 859: trace = 2.449293012365084 (1.24556e-07% change) linmin: converged after 4 iterations. - iteration 309: trace = 2.449344654488271 (1.83931e-05% change) + iteration 860: trace = 2.449293009993358 (9.68331e-08% change) linmin: converged after 4 iterations. - iteration 310: trace = 2.449344396125454 (1.05482e-05% change) - large trace change predicted (2.61846e-05%) + iteration 861: trace = 2.449293008091429 (7.76522e-08% change) + large trace change predicted (1.74451e-07%) linmin: converged after 4 iterations. - iteration 311: trace = 2.449343754628772 (2.61905e-05% change) + iteration 862: trace = 2.449293003818583 (1.74452e-07% change) linmin: converged after 5 iterations. - iteration 312: trace = 2.449343060104885 (2.83555e-05% change) - linmin: converged after 3 iterations. - iteration 313: trace = 2.449342746894462 (1.27875e-05% change) - large trace change predicted (3.15839e-05%) + iteration 863: trace = 2.449293000301527 (1.43595e-07% change) linmin: converged after 4 iterations. - iteration 314: trace = 2.449341973236189 (3.15864e-05% change) + iteration 864: trace = 2.449292998146363 (8.79913e-08% change) + linmin: converged after 7 iterations. + iteration 865: trace = 2.44929299622672 (7.83754e-08% change) + large trace change predicted (1.62132e-07%) linmin: converged after 4 iterations. - iteration 315: trace = 2.449341668470169 (1.24428e-05% change) - linmin: converged after 3 iterations. - iteration 316: trace = 2.449341323890793 (1.40682e-05% change) + iteration 866: trace = 2.449292992255662 (1.62131e-07% change) linmin: converged after 4 iterations. - iteration 317: trace = 2.449340724041253 (2.44902e-05% change) - linmin: converged after 3 iterations. - iteration 318: trace = 2.449340627848021 (3.92731e-06% change) - large trace change predicted (1.54826e-05%) - linmin: converged after 3 iterations. - iteration 319: trace = 2.449340248658823 (1.54813e-05% change) + iteration 867: trace = 2.449292989837132 (9.8744e-08% change) + linmin: converged after 7 iterations. + iteration 868: trace = 2.449292988823855 (4.13702e-08% change) + large trace change predicted (1.06397e-07%) linmin: converged after 3 iterations. - iteration 320: trace = 2.449339906894235 (1.39533e-05% change) - linmin: converged after 12 iterations. - iteration 321: trace = 2.44933971144219 (7.97978e-06% change) - large trace change predicted (1.99027e-05%) - linmin: converged after 5 iterations. - iteration 322: trace = 2.449339224131502 (1.98956e-05% change) - linmin: converged after 4 iterations. - iteration 323: trace = 2.449338376540003 (3.46049e-05% change) + iteration 869: trace = 2.449292986217885 (1.06397e-07% change) linmin: converged after 4 iterations. - iteration 324: trace = 2.449338127844788 (1.01536e-05% change) - linmin: converged after 4 iterations. - iteration 325: trace = 2.44933764652807 (1.96509e-05% change) - linmin: converged after 5 iterations. - iteration 326: trace = 2.449336972861738 (2.7504e-05% change) - linmin: converged after 3 iterations. - iteration 327: trace = 2.449336737184612 (9.62208e-06% change) - large trace change predicted (2.5633e-05%) + iteration 870: trace = 2.449292984789381 (5.83231e-08% change) linmin: converged after 3 iterations. - iteration 328: trace = 2.449336109518837 (2.5626e-05% change) - linmin: converged after 6 iterations. - iteration 329: trace = 2.449334963984735 (4.67692e-05% change) - linmin: converged after 5 iterations. - iteration 330: trace = 2.44933466764013 (1.2099e-05% change) - large trace change predicted (4.6207e-05%) - linmin: converged after 3 iterations. - iteration 331: trace = 2.44933353585055 (4.62081e-05% change) + iteration 871: trace = 2.449292984130662 (2.68943e-08% change) + large trace change predicted (7.1166e-08%) linmin: converged after 4 iterations. - iteration 332: trace = 2.449332528715524 (4.11187e-05% change) + iteration 872: trace = 2.449292982387593 (7.11662e-08% change) linmin: converged after 4 iterations. - iteration 333: trace = 2.44933215481141 (1.52656e-05% change) - large trace change predicted (3.17647e-05%) + iteration 873: trace = 2.449292981694867 (2.82827e-08% change) + large trace change predicted (8.056e-08%) linmin: converged after 4 iterations. - iteration 334: trace = 2.44933137674793 (3.17664e-05% change) - linmin: converged after 3 iterations. - iteration 335: trace = 2.449330585861198 (3.22899e-05% change) - linmin: converged after 3 iterations. - iteration 336: trace = 2.449330374173485 (8.64268e-06% change) - linmin: converged after 5 iterations. - iteration 337: trace = 2.449330012869878 (1.47511e-05% change) - linmin: converged after 4 iterations. - iteration 338: trace = 2.449329486830409 (2.14769e-05% change) - linmin: converged after 5 iterations. - iteration 339: trace = 2.449329323158688 (6.68231e-06% change) - large trace change predicted (1.97878e-05%) - linmin: converged after 3 iterations. - iteration 340: trace = 2.449328838430115 (1.97903e-05% change) - linmin: converged after 4 iterations. - iteration 341: trace = 2.449328336325411 (2.04997e-05% change) - linmin: converged after 3 iterations. - iteration 342: trace = 2.449328094843118 (9.85912e-06% change) + iteration 874: trace = 2.449292979721697 (8.05608e-08% change) linmin: converged after 3 iterations. - iteration 343: trace = 2.44932761440938 (1.96149e-05% change) - linmin: converged after 3 iterations. - iteration 344: trace = 2.449326676215543 (3.83041e-05% change) - linmin: converged after 3 iterations. - iteration 345: trace = 2.44932626318696 (1.68629e-05% change) - large trace change predicted (3.78492e-05%) - linmin: converged after 5 iterations. - iteration 346: trace = 2.44932533598196 (3.78555e-05% change) - linmin: converged after 3 iterations. - iteration 347: trace = 2.449324546731702 (3.22232e-05% change) + iteration 875: trace = 2.449292977943702 (7.25922e-08% change) linmin: converged after 4 iterations. - iteration 348: trace = 2.449324227406307 (1.30373e-05% change) - large trace change predicted (6.02654e-05%) - linmin: converged after 5 iterations. - iteration 349: trace = 2.449322750975162 (6.02791e-05% change) - resetting CG direction... + iteration 876: trace = 2.449292976407728 (6.27109e-08% change) + large trace change predicted (1.35742e-07%) + linmin: converged after 15 iterations. + iteration 877: trace = 2.449292973082943 (1.35745e-07% change) linmin: converged after 5 iterations. - iteration 350: trace = 2.449321892900501 (3.50331e-05% change) - linmin: converged after 7 iterations. - iteration 351: trace = 2.449321683898963 (8.53304e-06% change) - large trace change predicted (2.65235e-05%) - linmin: converged after 3 iterations. - iteration 352: trace = 2.44932103422288 (2.65247e-05% change) - linmin: converged after 4 iterations. - iteration 353: trace = 2.449320437074354 (2.43802e-05% change) - linmin: converged after 2 iterations. - iteration 354: trace = 2.449320221649538 (8.79529e-06% change) - large trace change predicted (3.12902e-05%) + iteration 878: trace = 2.449292969376248 (1.51337e-07% change) linmin: converged after 6 iterations. - iteration 355: trace = 2.449319455292288 (3.12886e-05% change) + iteration 879: trace = 2.449292967789971 (6.47647e-08% change) + linmin: converged after 7 iterations. + iteration 880: trace = 2.449292965734754 (8.39106e-08% change) linmin: converged after 2 iterations. - iteration 356: trace = 2.4493191233144 (1.35539e-05% change) + iteration 881: trace = 2.449292962362575 (1.3768e-07% change) linmin: converged after 2 iterations. - iteration 357: trace = 2.449318967676911 (6.35432e-06% change) - linmin: converged after 3 iterations. - iteration 358: trace = 2.449318672615042 (1.20467e-05% change) - linmin: converged after 3 iterations. - iteration 359: trace = 2.449318385140851 (1.17369e-05% change) + iteration 882: trace = 2.449292960414982 (7.95166e-08% change) linmin: converged after 5 iterations. - iteration 360: trace = 2.449318301710792 (3.40626e-06% change) - large trace change predicted (1.14743e-05%) - linmin: converged after 3 iterations. - iteration 361: trace = 2.449318020705964 (1.14728e-05% change) - linmin: converged after 3 iterations. - iteration 362: trace = 2.449317813628271 (8.4545e-06% change) - linmin: converged after 13 iterations. - iteration 363: trace = 2.449317706580891 (4.3705e-06% change) - large trace change predicted (1.71581e-05%) + iteration 883: trace = 2.449292958054287 (9.63827e-08% change) + linmin: converged after 8 iterations. + iteration 884: trace = 2.449292954771521 (1.34029e-07% change) linmin: converged after 4 iterations. - iteration 364: trace = 2.449317286438743 (1.71534e-05% change) - linmin: converged after 5 iterations. - iteration 365: trace = 2.449317121722504 (6.72499e-06% change) - large trace change predicted (1.88753e-05%) - linmin: converged after 3 iterations. - iteration 366: trace = 2.44931665952607 (1.88704e-05% change) - linmin: converged after 5 iterations. - iteration 367: trace = 2.449316284035032 (1.53304e-05% change) - linmin: converged after 3 iterations. - iteration 368: trace = 2.44931598779728 (1.20947e-05% change) - linmin: converged after 3 iterations. - iteration 369: trace = 2.449315617308174 (1.51262e-05% change) + iteration 885: trace = 2.449292953363309 (5.74946e-08% change) + linmin: converged after 11 iterations. + iteration 886: trace = 2.449292951878316 (6.06294e-08% change) + large trace change predicted (1.28578e-07%) linmin: converged after 4 iterations. - iteration 370: trace = 2.449315100622467 (2.10951e-05% change) + iteration 887: trace = 2.4492929487291 (1.28577e-07% change) linmin: converged after 4 iterations. - iteration 371: trace = 2.449314966477075 (5.47685e-06% change) - large trace change predicted (1.54796e-05%) + iteration 888: trace = 2.449292947683299 (4.26981e-08% change) linmin: converged after 4 iterations. - iteration 372: trace = 2.449314587271526 (1.54821e-05% change) + iteration 889: trace = 2.449292945713821 (8.04101e-08% change) linmin: converged after 3 iterations. - iteration 373: trace = 2.449314209642466 (1.54177e-05% change) - linmin: converged after 3 iterations. - iteration 374: trace = 2.449314060042585 (6.10783e-06% change) - linmin: converged after 5 iterations. - iteration 375: trace = 2.44931376699174 (1.19646e-05% change) - linmin: converged after 3 iterations. - iteration 376: trace = 2.449313392413096 (1.52932e-05% change) + iteration 890: trace = 2.449292943422134 (9.35652e-08% change) linmin: converged after 4 iterations. - iteration 377: trace = 2.449313196464976 (8.00012e-06% change) - linmin: converged after 3 iterations. - iteration 378: trace = 2.44931311062353 (3.50472e-06% change) - linmin: converged after 3 iterations. - iteration 379: trace = 2.449312940551659 (6.94366e-06% change) - linmin: converged after 3 iterations. - iteration 380: trace = 2.449312827552721 (4.6135e-06% change) - linmin: converged after 6 iterations. - iteration 381: trace = 2.449312747911022 (3.25159e-06% change) - large trace change predicted (7.49008e-06%) - linmin: converged after 3 iterations. - iteration 382: trace = 2.44931256444564 (7.49048e-06% change) - linmin: converged after 3 iterations. - iteration 383: trace = 2.44931247121995 (3.8062e-06% change) + iteration 891: trace = 2.449292941842418 (6.44969e-08% change) linmin: converged after 4 iterations. - iteration 384: trace = 2.44931233049468 (5.7455e-06% change) - large trace change predicted (1.2039e-05%) + iteration 892: trace = 2.449292941019616 (3.35934e-08% change) + large trace change predicted (1.16032e-07%) + linmin: converged after 16 iterations. + iteration 893: trace = 2.449292938177601 (1.16034e-07% change) linmin: converged after 4 iterations. - iteration 385: trace = 2.449312035633255 (1.20385e-05% change) + iteration 894: trace = 2.449292935356723 (1.15171e-07% change) + linmin: converged after 12 iterations. + iteration 895: trace = 2.449292934502187 (3.48891e-08% change) + large trace change predicted (1.19186e-07%) linmin: converged after 4 iterations. - iteration 386: trace = 2.449311885456354 (6.13139e-06% change) - large trace change predicted (1.24054e-05%) - linmin: converged after 3 iterations. - iteration 387: trace = 2.449311581661915 (1.24033e-05% change) - linmin: converged after 3 iterations. - iteration 388: trace = 2.449311389087495 (7.86239e-06% change) - linmin: converged after 2 iterations. - iteration 389: trace = 2.449311268698603 (4.91521e-06% change) + iteration 896: trace = 2.44929293158298 (1.19186e-07% change) + linmin: converged after 10 iterations. + iteration 897: trace = 2.449292927468612 (1.67982e-07% change) linmin: converged after 6 iterations. - iteration 390: trace = 2.449311073926549 (7.95212e-06% change) + iteration 898: trace = 2.449292926476688 (4.04984e-08% change) + large trace change predicted (1.5837e-07%) + linmin: converged after 13 iterations. + iteration 899: trace = 2.449292922597719 (1.58371e-07% change) + linmin: converged after 4 iterations. + iteration 900: trace = 2.449292921186258 (5.76273e-08% change) + linmin: converged after 8 iterations. + iteration 901: trace = 2.449292919601827 (6.46893e-08% change) + linmin: converged after 25 iterations. + iteration 902: trace = 2.449292917201763 (9.79901e-08% change) linmin: converged after 5 iterations. - iteration 391: trace = 2.44931073475165 (1.38478e-05% change) - linmin: converged after 6 iterations. - iteration 392: trace = 2.449310656267942 (3.20432e-06% change) - large trace change predicted (9.56188e-06%) - linmin: converged after 3 iterations. - iteration 393: trace = 2.44931042209365 (9.56082e-06% change) + iteration 903: trace = 2.44929291449914 (1.10343e-07% change) linmin: converged after 3 iterations. - iteration 394: trace = 2.449310228419627 (7.90729e-06% change) - linmin: converged after 4 iterations. - iteration 395: trace = 2.449310150478858 (3.18215e-06% change) - large trace change predicted (8.64275e-06%) - linmin: converged after 11 iterations. - iteration 396: trace = 2.449309938782913 (8.64308e-06% change) - linmin: converged after 4 iterations. - iteration 397: trace = 2.44930975921922 (7.3312e-06% change) - linmin: converged after 4 iterations. - iteration 398: trace = 2.449309705724143 (2.18409e-06% change) - large trace change predicted (8.31773e-06%) + iteration 904: trace = 2.449292913554923 (3.85506e-08% change) + large trace change predicted (9.62439e-08%) + linmin: converged after 5 iterations. + iteration 905: trace = 2.449292911197671 (9.62422e-08% change) linmin: converged after 4 iterations. - iteration 399: trace = 2.449309502012794 (8.31709e-06% change) - linmin: converged after 2 iterations. - iteration 400: trace = 2.449309392642907 (4.46534e-06% change) + iteration 906: trace = 2.449292909018267 (8.8981e-08% change) linmin: converged after 4 iterations. - iteration 401: trace = 2.44930934131938 (2.09543e-06% change) - large trace change predicted (8.87334e-06%) - linmin: converged after 3 iterations. - iteration 402: trace = 2.449309123997631 (8.87278e-06% change) - linmin: converged after 8 iterations. - iteration 403: trace = 2.449308922222955 (8.23802e-06% change) + iteration 907: trace = 2.449292908294122 (2.95654e-08% change) + large trace change predicted (7.32e-08%) + linmin: converged after 7 iterations. + iteration 908: trace = 2.449292906501265 (7.3199e-08% change) linmin: converged after 4 iterations. - iteration 404: trace = 2.449308823311691 (4.03833e-06% change) - large trace change predicted (8.17136e-06%) - linmin: converged after 8 iterations. - iteration 405: trace = 2.449308623174232 (8.17118e-06% change) - linmin: converged after 5 iterations. - iteration 406: trace = 2.449308380629756 (9.90257e-06% change) - linmin: converged after 5 iterations. - iteration 407: trace = 2.44930832157959 (2.41089e-06% change) - large trace change predicted (9.74911e-06%) - linmin: converged after 5 iterations. - iteration 408: trace = 2.449308082812707 (9.74834e-06% change) - linmin: converged after 3 iterations. - iteration 409: trace = 2.449307928331722 (6.30713e-06% change) + iteration 909: trace = 2.449292904960258 (6.29164e-08% change) + resetting CG direction... linmin: converged after 4 iterations. - iteration 410: trace = 2.449307863381324 (2.65179e-06% change) - linmin: converged after 11 iterations. - iteration 411: trace = 2.449307750719834 (4.59973e-06% change) + iteration 910: trace = 2.44929290454285 (1.7042e-08% change) linmin: converged after 9 iterations. - iteration 412: trace = 2.44930759617264 (6.30983e-06% change) - linmin: converged after 8 iterations. - iteration 413: trace = 2.449307507967606 (3.60122e-06% change) - large trace change predicted (7.30561e-06%) - linmin: converged after 3 iterations. - iteration 414: trace = 2.449307329057715 (7.30451e-06% change) - linmin: converged after 18 iterations. - iteration 415: trace = 2.449307207178362 (4.97607e-06% change) - linmin: converged after 3 iterations. - iteration 416: trace = 2.449307129373056 (3.17663e-06% change) - linmin: converged after 3 iterations. - iteration 417: trace = 2.449307006639951 (5.01093e-06% change) - linmin: converged after 2 iterations. - iteration 418: trace = 2.449306966864445 (1.62395e-06% change) + iteration 911: trace = 2.449292903785397 (3.09254e-08% change) linmin: converged after 6 iterations. - iteration 419: trace = 2.449306914000276 (2.15833e-06% change) - resetting CG direction... - linmin: converged after 4 iterations. - iteration 420: trace = 2.449306875380481 (1.57676e-06% change) - linmin: converged after 2 iterations. - iteration 421: trace = 2.449306850612654 (1.01122e-06% change) - large trace change predicted (3.39569e-06%) - linmin: converged after 5 iterations. - iteration 422: trace = 2.449306767437286 (3.39587e-06% change) - linmin: converged after 5 iterations. - iteration 423: trace = 2.449306675578913 (3.75038e-06% change) + iteration 912: trace = 2.449292902312294 (6.0144e-08% change) linmin: converged after 7 iterations. - iteration 424: trace = 2.449306620981348 (2.2291e-06% change) - large trace change predicted (8.29323e-06%) + iteration 913: trace = 2.449292901452379 (3.51087e-08% change) + large trace change predicted (8.1629e-08%) + linmin: converged after 6 iterations. + iteration 914: trace = 2.449292899453003 (8.16307e-08% change) + linmin: converged after 6 iterations. + iteration 915: trace = 2.449292897088744 (9.65282e-08% change) + linmin: converged after 18 iterations. + iteration 916: trace = 2.449292896491 (2.44048e-08% change) + large trace change predicted (9.41324e-08%) + linmin: converged after 16 iterations. + iteration 917: trace = 2.449292894185371 (9.41345e-08% change) + linmin: converged after 18 iterations. + iteration 918: trace = 2.449292892266222 (7.83552e-08% change) linmin: converged after 4 iterations. - iteration 425: trace = 2.449306417828372 (8.29431e-06% change) - linmin: converged after 3 iterations. - iteration 426: trace = 2.449306328329006 (3.65407e-06% change) - linmin: converged after 3 iterations. - iteration 427: trace = 2.449306220976023 (4.383e-06% change) + iteration 919: trace = 2.449292891553617 (2.90944e-08% change) + large trace change predicted (8.93424e-08%) + linmin: converged after 9 iterations. + iteration 920: trace = 2.449292889365351 (8.93428e-08% change) + linmin: converged after 6 iterations. + iteration 921: trace = 2.449292886904068 (1.0049e-07% change) + linmin: converged after 6 iterations. + iteration 922: trace = 2.449292886179944 (2.95646e-08% change) + large trace change predicted (7.85154e-08%) linmin: converged after 4 iterations. - iteration 428: trace = 2.449306118848337 (4.16966e-06% change) - linmin: converged after 3 iterations. - iteration 429: trace = 2.449306055279931 (2.59536e-06% change) - linmin: converged after 3 iterations. - iteration 430: trace = 2.449305938052055 (4.78617e-06% change) - linmin: converged after 3 iterations. - iteration 431: trace = 2.449305785141147 (6.24303e-06% change) - linmin: converged after 3 iterations. - iteration 432: trace = 2.449305689851015 (3.8905e-06% change) + iteration 923: trace = 2.44929288425689 (7.85147e-08% change) linmin: converged after 4 iterations. - iteration 433: trace = 2.44930558817213 (4.15134e-06% change) - large trace change predicted (8.77595e-06%) - linmin: converged after 3 iterations. - iteration 434: trace = 2.449305373204743 (8.77667e-06% change) - linmin: converged after 3 iterations. - iteration 435: trace = 2.449305304858868 (2.79042e-06% change) - large trace change predicted (6.12304e-06%) - linmin: converged after 3 iterations. - iteration 436: trace = 2.449305154891053 (6.12287e-06% change) - linmin: converged after 2 iterations. - iteration 437: trace = 2.449305036000753 (4.85404e-06% change) - linmin: converged after 2 iterations. - iteration 438: trace = 2.44930496041736 (3.08591e-06% change) - linmin: converged after 10 iterations. - iteration 439: trace = 2.449304917601723 (1.74807e-06% change) - large trace change predicted (5.15328e-06%) + iteration 924: trace = 2.449292880986884 (1.33508e-07% change) linmin: converged after 4 iterations. - iteration 440: trace = 2.449304791369659 (5.15379e-06% change) + iteration 925: trace = 2.449292880249262 (3.01157e-08% change) + large trace change predicted (7.82372e-08%) linmin: converged after 4 iterations. - iteration 441: trace = 2.449304741458016 (2.03779e-06% change) + iteration 926: trace = 2.449292878333018 (7.82366e-08% change) + linmin: converged after 6 iterations. + iteration 927: trace = 2.449292876992451 (5.47328e-08% change) linmin: converged after 7 iterations. - iteration 442: trace = 2.449304654473372 (3.5514e-06% change) - linmin: converged after 3 iterations. - iteration 443: trace = 2.449304509184595 (5.93184e-06% change) + iteration 928: trace = 2.449292876400499 (2.41683e-08% change) linmin: converged after 5 iterations. - iteration 444: trace = 2.449304456294106 (2.15941e-06% change) - large trace change predicted (4.95564e-06%) + iteration 929: trace = 2.449292875366039 (4.22351e-08% change) linmin: converged after 4 iterations. - iteration 445: trace = 2.449304334903203 (4.95614e-06% change) - linmin: converged after 4 iterations. - iteration 446: trace = 2.449304173873083 (6.57452e-06% change) - linmin: converged after 11 iterations. - iteration 447: trace = 2.449304134298035 (1.61577e-06% change) - large trace change predicted (5.56691e-06%) - linmin: converged after 3 iterations. - iteration 448: trace = 2.449303997940504 (5.56719e-06% change) - linmin: converged after 3 iterations. - iteration 449: trace = 2.449303877039199 (4.93615e-06% change) - linmin: converged after 3 iterations. - iteration 450: trace = 2.449303809660057 (2.75095e-06% change) - linmin: converged after 15 iterations. - iteration 451: trace = 2.449303703251061 (4.34446e-06% change) - linmin: converged after 4 iterations. - iteration 452: trace = 2.449303521720978 (7.4115e-06% change) - linmin: converged after 3 iterations. - iteration 453: trace = 2.449303479410832 (1.72744e-06% change) - large trace change predicted (6.30616e-06%) - linmin: converged after 4 iterations. - iteration 454: trace = 2.44930332494781 (6.30641e-06% change) - linmin: converged after 2 iterations. - iteration 455: trace = 2.449303196299648 (5.25244e-06% change) - linmin: converged after 5 iterations. - iteration 456: trace = 2.44930315680863 (1.61234e-06% change) - large trace change predicted (4.36591e-06%) - linmin: converged after 3 iterations. - iteration 457: trace = 2.449303049879013 (4.36572e-06% change) + iteration 930: trace = 2.449292873851601 (6.18316e-08% change) + linmin: converged after 13 iterations. + iteration 931: trace = 2.449292873378862 (1.9301e-08% change) + large trace change predicted (5.01659e-08%) linmin: converged after 4 iterations. - iteration 458: trace = 2.449302998882024 (2.0821e-06% change) - linmin: converged after 5 iterations. - iteration 459: trace = 2.449302971831586 (1.10441e-06% change) - large trace change predicted (2.85974e-06%) + iteration 932: trace = 2.449292872150153 (5.01659e-08% change) linmin: converged after 7 iterations. - iteration 460: trace = 2.449302901795706 (2.85942e-06% change) - linmin: converged after 3 iterations. - iteration 461: trace = 2.449302804517566 (3.97167e-06% change) - linmin: converged after 4 iterations. - iteration 462: trace = 2.449302758683433 (1.87131e-06% change) - large trace change predicted (7.37638e-06%) - linmin: converged after 3 iterations. - iteration 463: trace = 2.449302578077613 (7.37376e-06% change) - linmin: converged after 6 iterations. - iteration 464: trace = 2.449302439055304 (5.676e-06% change) - linmin: converged after 4 iterations. - iteration 465: trace = 2.449302385527099 (2.18545e-06% change) - large trace change predicted (6.13002e-06%) + iteration 933: trace = 2.449292870696293 (5.93584e-08% change) + linmin: converged after 21 iterations. + iteration 934: trace = 2.449292869934296 (3.11109e-08% change) + linmin: converged after 7 iterations. + iteration 935: trace = 2.449292868697059 (5.0514e-08% change) + linmin: converged after 16 iterations. + iteration 936: trace = 2.449292866517419 (8.89905e-08% change) linmin: converged after 10 iterations. - iteration 466: trace = 2.449302235400487 (6.12936e-06% change) - linmin: converged after 5 iterations. - iteration 467: trace = 2.449302087328288 (6.04549e-06% change) - linmin: converged after 11 iterations. - iteration 468: trace = 2.449302021521985 (2.68674e-06% change) - large trace change predicted (8.49346e-06%) - linmin: converged after 3 iterations. - iteration 469: trace = 2.44930181348616 (8.49368e-06% change) - linmin: converged after 3 iterations. - iteration 470: trace = 2.449301644772229 (6.88825e-06% change) - linmin: converged after 4 iterations. - iteration 471: trace = 2.449301544563133 (4.09133e-06% change) - linmin: converged after 3 iterations. - iteration 472: trace = 2.449301367402688 (7.2331e-06% change) - linmin: converged after 8 iterations. - iteration 473: trace = 2.449301158918312 (8.51199e-06% change) - linmin: converged after 3 iterations. - iteration 474: trace = 2.449301103788178 (2.25085e-06% change) - large trace change predicted (4.70311e-06%) - linmin: converged after 4 iterations. - iteration 475: trace = 2.449300988580139 (4.70371e-06% change) + iteration 937: trace = 2.449292866002108 (2.10392e-08% change) + large trace change predicted (5.15186e-08%) linmin: converged after 6 iterations. - iteration 476: trace = 2.449300896772737 (3.74831e-06% change) - linmin: converged after 3 iterations. - iteration 477: trace = 2.449300866357832 (1.24178e-06% change) - large trace change predicted (3.92601e-06%) + iteration 938: trace = 2.449292864740252 (5.15192e-08% change) linmin: converged after 3 iterations. - iteration 478: trace = 2.44930077018778 (3.92643e-06% change) - linmin: converged after 2 iterations. - iteration 479: trace = 2.449300683770554 (3.52824e-06% change) + iteration 939: trace = 2.449292863531798 (4.93389e-08% change) linmin: converged after 4 iterations. - iteration 480: trace = 2.449300656479704 (1.11423e-06% change) - large trace change predicted (3.23321e-06%) - linmin: converged after 2 iterations. - iteration 481: trace = 2.449300577278313 (3.23363e-06% change) - linmin: converged after 6 iterations. - iteration 482: trace = 2.449300466061751 (4.54075e-06% change) - linmin: converged after 2 iterations. - iteration 483: trace = 2.449300428023244 (1.55304e-06% change) - large trace change predicted (7.25073e-06%) - linmin: converged after 3 iterations. - iteration 484: trace = 2.449300250425539 (7.25096e-06% change) + iteration 940: trace = 2.449292862344326 (4.84823e-08% change) linmin: converged after 4 iterations. - iteration 485: trace = 2.449300131892638 (4.83946e-06% change) - linmin: converged after 2 iterations. - iteration 486: trace = 2.449300072898354 (2.40862e-06% change) - large trace change predicted (8.52883e-06%) - linmin: converged after 6 iterations. - iteration 487: trace = 2.449299863989046 (8.52935e-06% change) - linmin: converged after 3 iterations. - iteration 488: trace = 2.449299665082108 (8.12097e-06% change) - large trace change predicted (1.9404e-05%) + iteration 941: trace = 2.449292861491443 (3.48216e-08% change) + large trace change predicted (7.93036e-08%) linmin: converged after 3 iterations. - iteration 489: trace = 2.44929918983289 (1.94035e-05% change) - resetting CG direction... - linmin: converged after 2 iterations. - iteration 490: trace = 2.449298962043534 (9.30019e-06% change) - linmin: converged after 9 iterations. - iteration 491: trace = 2.449298755844723 (8.41869e-06% change) - linmin: converged after 5 iterations. - iteration 492: trace = 2.449298620798816 (5.51366e-06% change) + iteration 942: trace = 2.449292859549073 (7.93033e-08% change) linmin: converged after 4 iterations. - iteration 493: trace = 2.449298572090829 (1.98865e-06% change) - large trace change predicted (6.48881e-06%) - linmin: converged after 2 iterations. - iteration 494: trace = 2.449298413153169 (6.48911e-06% change) + iteration 943: trace = 2.449292858548698 (4.08434e-08% change) linmin: converged after 4 iterations. - iteration 495: trace = 2.449298359767387 (2.17964e-06% change) + iteration 944: trace = 2.449292857596618 (3.88716e-08% change) linmin: converged after 4 iterations. - iteration 496: trace = 2.449298280489823 (3.23675e-06% change) - linmin: converged after 3 iterations. - iteration 497: trace = 2.449298194838207 (3.49699e-06% change) - linmin: converged after 12 iterations. - iteration 498: trace = 2.449298140239789 (2.22915e-06% change) - linmin: converged after 2 iterations. - iteration 499: trace = 2.449298097612467 (1.74039e-06% change) - linmin: converged after 8 iterations. - iteration 500: trace = 2.449298035490159 (2.53633e-06% change) - linmin: converged after 3 iterations. - iteration 501: trace = 2.449297992034129 (1.77422e-06% change) + iteration 945: trace = 2.449292856180844 (5.78034e-08% change) linmin: converged after 4 iterations. - iteration 502: trace = 2.449297971223781 (8.49645e-07% change) - large trace change predicted (1.87991e-06%) + iteration 946: trace = 2.449292855228878 (3.8867e-08% change) linmin: converged after 5 iterations. - iteration 503: trace = 2.449297925181443 (1.87982e-06% change) + iteration 947: trace = 2.449292854822598 (1.65876e-08% change) linmin: converged after 4 iterations. - iteration 504: trace = 2.449297878139211 (1.92064e-06% change) + iteration 948: trace = 2.449292854343151 (1.95749e-08% change) linmin: converged after 5 iterations. - iteration 505: trace = 2.449297845111048 (1.34847e-06% change) - large trace change predicted (4.69833e-06%) - linmin: converged after 6 iterations. - iteration 506: trace = 2.449297730059884 (4.69731e-06% change) + iteration 949: trace = 2.449292853792568 (2.24792e-08% change) linmin: converged after 4 iterations. - iteration 507: trace = 2.449297699988394 (1.22776e-06% change) - linmin: converged after 3 iterations. - iteration 508: trace = 2.449297642199617 (2.3594e-06% change) - large trace change predicted (4.81107e-06%) - linmin: converged after 3 iterations. - iteration 509: trace = 2.44929752438478 (4.81015e-06% change) + iteration 950: trace = 2.449292853434557 (1.46169e-08% change) + large trace change predicted (5.19585e-08%) + linmin: converged after 8 iterations. + iteration 951: trace = 2.449292852161947 (5.19582e-08% change) linmin: converged after 4 iterations. - iteration 510: trace = 2.44929747911903 (1.84811e-06% change) - large trace change predicted (3.70331e-06%) - linmin: converged after 3 iterations. - iteration 511: trace = 2.449297388423847 (3.70291e-06% change) - linmin: converged after 3 iterations. - iteration 512: trace = 2.449297301422007 (3.55211e-06% change) - linmin: converged after 15 iterations. - iteration 513: trace = 2.44929726710429 (1.40112e-06% change) + iteration 952: trace = 2.449292851865295 (1.21118e-08% change) + large trace change predicted (5.1577e-08%) linmin: converged after 4 iterations. - iteration 514: trace = 2.449297202493594 (2.63793e-06% change) + iteration 953: trace = 2.44929285060201 (5.15775e-08% change) linmin: converged after 4 iterations. - iteration 515: trace = 2.449297118123978 (3.44465e-06% change) - linmin: converged after 5 iterations. - iteration 516: trace = 2.449297098977328 (7.8172e-07% change) - large trace change predicted (2.38664e-06%) - linmin: converged after 9 iterations. - iteration 517: trace = 2.449297040514986 (2.3869e-06% change) + iteration 954: trace = 2.449292849325958 (5.20988e-08% change) + linmin: converged after 6 iterations. + iteration 955: trace = 2.449292848352974 (3.97251e-08% change) linmin: converged after 4 iterations. - iteration 518: trace = 2.449296982513297 (2.3681e-06% change) + iteration 956: trace = 2.449292847744807 (2.48303e-08% change) + large trace change predicted (5.36178e-08%) linmin: converged after 4 iterations. - iteration 519: trace = 2.449296940061365 (1.73323e-06% change) - linmin: converged after 12 iterations. - iteration 520: trace = 2.449296930723386 (3.81251e-07% change) - large trace change predicted (1.41312e-06%) + iteration 957: trace = 2.449292846431551 (5.36177e-08% change) linmin: converged after 8 iterations. - iteration 521: trace = 2.449296896110427 (1.41318e-06% change) + iteration 958: trace = 2.4492928456343 (3.25503e-08% change) linmin: converged after 5 iterations. - iteration 522: trace = 2.449296876492185 (8.00974e-07% change) - linmin: converged after 2 iterations. - iteration 523: trace = 2.449296860085393 (6.69857e-07% change) - large trace change predicted (1.71313e-06%) + iteration 959: trace = 2.449292844731436 (3.68622e-08% change) + linmin: converged after 13 iterations. + iteration 960: trace = 2.449292843497219 (5.03908e-08% change) linmin: converged after 4 iterations. - iteration 524: trace = 2.449296818124541 (1.71318e-06% change) + iteration 961: trace = 2.449292842226763 (5.18703e-08% change) linmin: converged after 7 iterations. - iteration 525: trace = 2.449296788553737 (1.20732e-06% change) - linmin: converged after 10 iterations. - iteration 526: trace = 2.449296751865314 (1.49792e-06% change) - linmin: converged after 4 iterations. - iteration 527: trace = 2.449296681629323 (2.8676e-06% change) + iteration 962: trace = 2.449292841978572 (1.01332e-08% change) + large trace change predicted (5.20032e-08%) linmin: converged after 5 iterations. - iteration 528: trace = 2.449296661715937 (8.13025e-07% change) + iteration 963: trace = 2.449292840704855 (5.20034e-08% change) linmin: converged after 4 iterations. - iteration 529: trace = 2.44929662364585 (1.55433e-06% change) + iteration 964: trace = 2.449292840163329 (2.21095e-08% change) + linmin: converged after 6 iterations. + iteration 965: trace = 2.449292839881509 (1.15062e-08% change) + large trace change predicted (2.48593e-08%) + linmin: converged after 11 iterations. + iteration 966: trace = 2.449292839272627 (2.48595e-08% change) linmin: converged after 4 iterations. - iteration 530: trace = 2.449296567946919 (2.27408e-06% change) - linmin: converged after 3 iterations. - iteration 531: trace = 2.449296554510048 (5.48601e-07% change) - large trace change predicted (2.41023e-06%) - linmin: converged after 3 iterations. - iteration 532: trace = 2.449296495480694 (2.41005e-06% change) + iteration 967: trace = 2.44929283865214 (2.53333e-08% change) linmin: converged after 4 iterations. - iteration 533: trace = 2.449296442332612 (2.16993e-06% change) + iteration 968: trace = 2.449292838529148 (5.02156e-09% change) + large trace change predicted (1.80041e-08%) linmin: converged after 5 iterations. - iteration 534: trace = 2.449296422451371 (8.11712e-07% change) + iteration 969: trace = 2.449292838088176 (1.80041e-08% change) linmin: converged after 4 iterations. - iteration 535: trace = 2.449296389842277 (1.33137e-06% change) - linmin: converged after 5 iterations. - iteration 536: trace = 2.449296332679542 (2.33384e-06% change) - linmin: converged after 4 iterations. - iteration 537: trace = 2.449296319700671 (5.29902e-07% change) - large trace change predicted (1.61254e-06%) - linmin: converged after 4 iterations. - iteration 538: trace = 2.449296280205539 (1.61251e-06% change) - linmin: converged after 10 iterations. - iteration 539: trace = 2.449296248674388 (1.28736e-06% change) + iteration 970: trace = 2.449292837695716 (1.60234e-08% change) + linmin: converged after 28 iterations. + iteration 971: trace = 2.449292837548503 (6.01041e-09% change) + large trace change predicted (3.2849e-08%) linmin: converged after 4 iterations. - iteration 540: trace = 2.4492962396169 (3.698e-07% change) - large trace change predicted (1.30988e-06%) - linmin: converged after 5 iterations. - iteration 541: trace = 2.449296207534937 (1.30984e-06% change) - linmin: converged after 11 iterations. - iteration 542: trace = 2.449296174568539 (1.34595e-06% change) - linmin: converged after 5 iterations. - iteration 543: trace = 2.449296165985985 (3.50409e-07% change) - large trace change predicted (1.77249e-06%) + iteration 972: trace = 2.449292836743934 (3.2849e-08% change) linmin: converged after 4 iterations. - iteration 544: trace = 2.449296122573905 (1.77243e-06% change) + iteration 973: trace = 2.449292835810597 (3.81064e-08% change) linmin: converged after 4 iterations. - iteration 545: trace = 2.449296091985974 (1.24885e-06% change) - linmin: converged after 10 iterations. - iteration 546: trace = 2.449296075552141 (6.70961e-07% change) - large trace change predicted (1.84229e-06%) - linmin: converged after 7 iterations. - iteration 547: trace = 2.449296030429687 (1.84226e-06% change) + iteration 974: trace = 2.449292835518034 (1.19448e-08% change) + large trace change predicted (2.55413e-08%) linmin: converged after 4 iterations. - iteration 548: trace = 2.449295973818217 (2.31134e-06% change) - linmin: converged after 5 iterations. - iteration 549: trace = 2.449295963073737 (4.38676e-07% change) - large trace change predicted (1.57194e-06%) + iteration 975: trace = 2.449292834892451 (2.55414e-08% change) linmin: converged after 8 iterations. - iteration 550: trace = 2.449295924573315 (1.5719e-06% change) + iteration 976: trace = 2.449292834224147 (2.72856e-08% change) + linmin: converged after 7 iterations. + iteration 977: trace = 2.449292833984173 (9.7977e-09% change) + large trace change predicted (3.6443e-08%) linmin: converged after 4 iterations. - iteration 551: trace = 2.449295901411956 (9.45633e-07% change) + iteration 978: trace = 2.44929283309159 (3.64425e-08% change) linmin: converged after 7 iterations. - iteration 552: trace = 2.449295887073358 (5.85417e-07% change) - large trace change predicted (1.17467e-06%) + iteration 979: trace = 2.449292831910895 (4.82056e-08% change) + resetting CG direction... linmin: converged after 4 iterations. - iteration 553: trace = 2.449295858302852 (1.17464e-06% change) - linmin: converged after 5 iterations. - iteration 554: trace = 2.449295825594148 (1.33543e-06% change) - linmin: converged after 6 iterations. - iteration 555: trace = 2.449295811533763 (5.74058e-07% change) + iteration 980: trace = 2.44929283114439 (3.12949e-08% change) + linmin: converged after 19 iterations. + iteration 981: trace = 2.449292830205404 (3.8337e-08% change) linmin: converged after 4 iterations. - iteration 556: trace = 2.449295783511515 (1.14409e-06% change) - linmin: converged after 8 iterations. - iteration 557: trace = 2.449295754158801 (1.19841e-06% change) - linmin: converged after 16 iterations. - iteration 558: trace = 2.449295746000531 (3.33086e-07% change) - large trace change predicted (6.75053e-07%) - linmin: converged after 2 iterations. - iteration 559: trace = 2.449295729466491 (6.75053e-07% change) - resetting CG direction... - linmin: converged after 12 iterations. - iteration 560: trace = 2.449295723699159 (2.35469e-07% change) - linmin: converged after 8 iterations. - iteration 561: trace = 2.449295719145353 (1.85923e-07% change) - large trace change predicted (7.18669e-07%) - linmin: converged after 10 iterations. - iteration 562: trace = 2.449295701542916 (7.18673e-07% change) + iteration 982: trace = 2.449292829955271 (1.02125e-08% change) + large trace change predicted (2.5433e-08%) linmin: converged after 3 iterations. - iteration 563: trace = 2.449295677695274 (9.73653e-07% change) - linmin: converged after 5 iterations. - iteration 564: trace = 2.449295666842978 (4.43078e-07% change) - large trace change predicted (1.70343e-06%) - linmin: converged after 18 iterations. - iteration 565: trace = 2.4492956251186 (1.70353e-06% change) + iteration 983: trace = 2.449292829332331 (2.54335e-08% change) + linmin: converged after 6 iterations. + iteration 984: trace = 2.449292828641338 (2.82119e-08% change) + linmin: converged after 6 iterations. + iteration 985: trace = 2.449292828398266 (9.92418e-09% change) + large trace change predicted (2.89171e-08%) + linmin: converged after 8 iterations. + iteration 986: trace = 2.449292827690007 (2.89169e-08% change) linmin: converged after 4 iterations. - iteration 566: trace = 2.449295608568285 (6.75717e-07% change) + iteration 987: trace = 2.449292827107856 (2.37681e-08% change) linmin: converged after 3 iterations. - iteration 567: trace = 2.449295588398641 (8.23488e-07% change) - linmin: converged after 2 iterations. - iteration 568: trace = 2.449295567387004 (8.57865e-07% change) + iteration 988: trace = 2.449292826855348 (1.03094e-08% change) linmin: converged after 4 iterations. - iteration 569: trace = 2.449295556837434 (4.30719e-07% change) - large trace change predicted (9.50373e-07%) + iteration 989: trace = 2.449292826523894 (1.35326e-08% change) linmin: converged after 6 iterations. - iteration 570: trace = 2.449295533559557 (9.50391e-07% change) + iteration 990: trace = 2.449292826062264 (1.88475e-08% change) linmin: converged after 5 iterations. - iteration 571: trace = 2.449295498742708 (1.4215e-06% change) + iteration 991: trace = 2.449292825943055 (4.86708e-09% change) + large trace change predicted (1.34708e-08%) linmin: converged after 5 iterations. - iteration 572: trace = 2.449295471337947 (1.11888e-06% change) - linmin: converged after 14 iterations. - iteration 573: trace = 2.449295454315248 (6.95004e-07% change) - large trace change predicted (1.66534e-06%) + iteration 992: trace = 2.449292825613118 (1.34707e-08% change) linmin: converged after 4 iterations. - iteration 574: trace = 2.449295413523881 (1.66543e-06% change) + iteration 993: trace = 2.449292825174655 (1.79016e-08% change) linmin: converged after 4 iterations. - iteration 575: trace = 2.449295394090539 (7.93426e-07% change) - linmin: converged after 6 iterations. - iteration 576: trace = 2.449295370806793 (9.5063e-07% change) - linmin: converged after 5 iterations. - iteration 577: trace = 2.449295350994837 (8.08884e-07% change) - linmin: converged after 3 iterations. - iteration 578: trace = 2.449295333125299 (7.29579e-07% change) - linmin: converged after 13 iterations. - iteration 579: trace = 2.449295322520059 (4.32991e-07% change) - large trace change predicted (1.06468e-06%) - linmin: converged after 2 iterations. - iteration 580: trace = 2.449295296442627 (1.06469e-06% change) - linmin: converged after 3 iterations. - iteration 581: trace = 2.449295283122905 (5.43819e-07% change) + iteration 994: trace = 2.449292824850318 (1.3242e-08% change) linmin: converged after 2 iterations. - iteration 582: trace = 2.449295263991757 (7.81088e-07% change) - linmin: converged after 10 iterations. - iteration 583: trace = 2.449295240008144 (9.79205e-07% change) + iteration 995: trace = 2.449292824494099 (1.45438e-08% change) + large trace change predicted (4.01832e-08%) linmin: converged after 16 iterations. - iteration 584: trace = 2.449295227655927 (5.04317e-07% change) - large trace change predicted (1.4574e-06%) - linmin: converged after 4 iterations. - iteration 585: trace = 2.449295191960348 (1.45738e-06% change) - linmin: converged after 3 iterations. - iteration 586: trace = 2.449295158881031 (1.35056e-06% change) - linmin: converged after 4 iterations. - iteration 587: trace = 2.449295148138336 (4.38604e-07% change) - linmin: converged after 5 iterations. - iteration 588: trace = 2.44929512938227 (7.65774e-07% change) - linmin: converged after 5 iterations. - iteration 589: trace = 2.449295100364133 (1.18475e-06% change) - linmin: converged after 3 iterations. - iteration 590: trace = 2.449295077814086 (9.20675e-07% change) - linmin: converged after 5 iterations. - iteration 591: trace = 2.449295063016357 (6.04163e-07% change) - large trace change predicted (1.70647e-06%) + iteration 996: trace = 2.449292823509905 (4.01827e-08% change) + linmin: converged after 11 iterations. + iteration 997: trace = 2.449292823183713 (1.33178e-08% change) + linmin: converged after 7 iterations. + iteration 998: trace = 2.449292822570423 (2.50395e-08% change) linmin: converged after 4 iterations. - iteration 592: trace = 2.449295021218325 (1.70653e-06% change) - linmin: converged after 5 iterations. - iteration 593: trace = 2.449294996460564 (1.01081e-06% change) - linmin: converged after 3 iterations. - iteration 594: trace = 2.44929498378478 (5.17528e-07% change) - large trace change predicted (1.04482e-06%) + iteration 999: trace = 2.449292821673995 (3.65994e-08% change) linmin: converged after 4 iterations. - iteration 595: trace = 2.449294958194812 (1.04479e-06% change) - linmin: converged after 7 iterations. - iteration 596: trace = 2.449294942464789 (6.42227e-07% change) - linmin: converged after 7 iterations. - iteration 597: trace = 2.449294932495997 (4.07007e-07% change) - linmin: converged after 5 iterations. - iteration 598: trace = 2.449294920019993 (5.09371e-07% change) - linmin: converged after 10 iterations. - iteration 599: trace = 2.449294908978184 (4.50816e-07% change) + iteration 1000: trace = 2.449292821261926 (1.6824e-08% change) linmin: converged after 6 iterations. - iteration 600: trace = 2.44929489979332 (3.75e-07% change) - large trace change predicted (1.29985e-06%) - linmin: converged after 12 iterations. - iteration 601: trace = 2.449294867959889 (1.2997e-06% change) + iteration 1001: trace = 2.449292820457822 (3.283e-08% change) linmin: converged after 4 iterations. - iteration 602: trace = 2.449294840706553 (1.1127e-06% change) + iteration 1002: trace = 2.449292819454572 (4.09608e-08% change) + linmin: converged after 6 iterations. + iteration 1003: trace = 2.449292819196724 (1.05274e-08% change) + large trace change predicted (2.99858e-08%) linmin: converged after 4 iterations. - iteration 603: trace = 2.449294823564626 (6.99872e-07% change) + iteration 1004: trace = 2.449292818462298 (2.99853e-08% change) linmin: converged after 5 iterations. - iteration 604: trace = 2.449294793758948 (1.21691e-06% change) + iteration 1005: trace = 2.449292817645189 (3.3361e-08% change) linmin: converged after 4 iterations. - iteration 605: trace = 2.449294764735275 (1.18498e-06% change) + iteration 1006: trace = 2.449292817266911 (1.54444e-08% change) + large trace change predicted (3.46602e-08%) linmin: converged after 4 iterations. - iteration 606: trace = 2.449294752754349 (4.89158e-07% change) - large trace change predicted (1.57869e-06%) - linmin: converged after 20 iterations. - iteration 607: trace = 2.449294714089068 (1.57863e-06% change) - linmin: converged after 5 iterations. - iteration 608: trace = 2.449294678734368 (1.44346e-06% change) - linmin: converged after 5 iterations. - iteration 609: trace = 2.449294660647144 (7.38467e-07% change) - large trace change predicted (1.52257e-06%) - linmin: converged after 4 iterations. - iteration 610: trace = 2.449294623353037 (1.52265e-06% change) - linmin: converged after 5 iterations. - iteration 611: trace = 2.449294595482258 (1.13791e-06% change) - linmin: converged after 7 iterations. - iteration 612: trace = 2.449294572783566 (9.26744e-07% change) + iteration 1007: trace = 2.44929281641797 (3.46606e-08% change) linmin: converged after 6 iterations. - iteration 613: trace = 2.449294538089499 (1.41649e-06% change) - linmin: converged after 19 iterations. - iteration 614: trace = 2.449294527705394 (4.23963e-07% change) - large trace change predicted (9.49395e-07%) - linmin: converged after 2 iterations. - iteration 615: trace = 2.449294504451907 (9.49395e-07% change) - linmin: converged after 4 iterations. - iteration 616: trace = 2.449294485497237 (7.73883e-07% change) - linmin: converged after 7 iterations. - iteration 617: trace = 2.449294476527676 (3.6621e-07% change) + iteration 1008: trace = 2.449292815760407 (2.68471e-08% change) linmin: converged after 5 iterations. - iteration 618: trace = 2.44929446043988 (6.56834e-07% change) - linmin: converged after 6 iterations. - iteration 619: trace = 2.449294436000751 (9.97803e-07% change) - linmin: converged after 19 iterations. - iteration 620: trace = 2.449294427867938 (3.32047e-07% change) - linmin: converged after 4 iterations. - iteration 621: trace = 2.449294414804712 (5.33346e-07% change) - large trace change predicted (1.14812e-06%) - linmin: converged after 10 iterations. - iteration 622: trace = 2.449294386682773 (1.14816e-06% change) - linmin: converged after 3 iterations. - iteration 623: trace = 2.449294368487843 (7.42864e-07% change) + iteration 1009: trace = 2.449292815402227 (1.46238e-08% change) linmin: converged after 7 iterations. - iteration 624: trace = 2.449294347157103 (8.70893e-07% change) - linmin: converged after 4 iterations. - iteration 625: trace = 2.449294316655181 (1.24534e-06% change) - linmin: converged after 5 iterations. - iteration 626: trace = 2.449294298191574 (7.53834e-07% change) - linmin: converged after 5 iterations. - iteration 627: trace = 2.449294268452204 (1.2142e-06% change) - linmin: converged after 2 iterations. - iteration 628: trace = 2.449294212478974 (2.28528e-06% change) - linmin: converged after 4 iterations. - iteration 629: trace = 2.449294147611416 (2.64842e-06% change) - resetting CG direction... - linmin: converged after 4 iterations. - iteration 630: trace = 2.449294105642093 (1.71353e-06% change) + iteration 1010: trace = 2.449292815205523 (8.03103e-09% change) linmin: converged after 2 iterations. - iteration 631: trace = 2.449294056000651 (2.02677e-06% change) - linmin: converged after 21 iterations. - iteration 632: trace = 2.449294036115356 (8.11879e-07% change) - linmin: converged after 3 iterations. - iteration 633: trace = 2.449294020774135 (6.26353e-07% change) - large trace change predicted (1.26364e-06%) - linmin: converged after 5 iterations. - iteration 634: trace = 2.449293989823266 (1.26366e-06% change) + iteration 1011: trace = 2.44929281482456 (1.5554e-08% change) linmin: converged after 5 iterations. - iteration 635: trace = 2.449293976441921 (5.46335e-07% change) - linmin: converged after 7 iterations. - iteration 636: trace = 2.449293959433588 (6.94418e-07% change) + iteration 1012: trace = 2.449292814451411 (1.5235e-08% change) linmin: converged after 4 iterations. - iteration 637: trace = 2.449293942145088 (7.05856e-07% change) - linmin: converged after 9 iterations. - iteration 638: trace = 2.449293935059972 (2.89272e-07% change) - linmin: converged after 4 iterations. - iteration 639: trace = 2.449293922056752 (5.30897e-07% change) - linmin: converged after 5 iterations. - iteration 640: trace = 2.449293909693623 (5.04763e-07% change) - linmin: converged after 3 iterations. - iteration 641: trace = 2.449293905490843 (1.71592e-07% change) - large trace change predicted (4.64502e-07%) - linmin: converged after 10 iterations. - iteration 642: trace = 2.44929389411432 (4.64482e-07% change) + iteration 1013: trace = 2.449292814270234 (7.39709e-09% change) + large trace change predicted (3.12767e-08%) + linmin: converged after 6 iterations. + iteration 1014: trace = 2.44929281350417 (3.12769e-08% change) linmin: converged after 4 iterations. - iteration 643: trace = 2.449293885505506 (3.51481e-07% change) + iteration 1015: trace = 2.449292812935441 (2.32202e-08% change) linmin: converged after 4 iterations. - iteration 644: trace = 2.449293872214862 (5.42632e-07% change) - linmin: converged after 5 iterations. - iteration 645: trace = 2.449293867163527 (2.06236e-07% change) - large trace change predicted (1.04214e-06%) - linmin: converged after 5 iterations. - iteration 646: trace = 2.449293841640749 (1.04205e-06% change) - linmin: converged after 7 iterations. - iteration 647: trace = 2.449293834134831 (3.06452e-07% change) - large trace change predicted (6.66378e-07%) - linmin: converged after 7 iterations. - iteration 648: trace = 2.449293817813669 (6.66362e-07% change) + iteration 1016: trace = 2.449292812594618 (1.39152e-08% change) + large trace change predicted (4.04058e-08%) linmin: converged after 4 iterations. - iteration 649: trace = 2.449293797219437 (8.40823e-07% change) - linmin: converged after 16 iterations. - iteration 650: trace = 2.449293788665385 (3.49246e-07% change) - large trace change predicted (7.82241e-07%) - linmin: converged after 3 iterations. - iteration 651: trace = 2.449293769506357 (7.82227e-07% change) + iteration 1017: trace = 2.449292811604957 (4.0406e-08% change) linmin: converged after 3 iterations. - iteration 652: trace = 2.449293751428543 (7.38083e-07% change) - linmin: converged after 4 iterations. - iteration 653: trace = 2.449293741139413 (4.20086e-07% change) - linmin: converged after 5 iterations. - iteration 654: trace = 2.449293730736813 (4.24718e-07% change) - linmin: converged after 11 iterations. - iteration 655: trace = 2.449293711268567 (7.94851e-07% change) + iteration 1018: trace = 2.44929281082762 (3.17372e-08% change) linmin: converged after 5 iterations. - iteration 656: trace = 2.449293707029274 (1.73082e-07% change) - large trace change predicted (5.57407e-07%) + iteration 1019: trace = 2.449292810408222 (1.71232e-08% change) + linmin: converged after 6 iterations. + iteration 1020: trace = 2.449292809810755 (2.43935e-08% change) linmin: converged after 3 iterations. - iteration 657: trace = 2.449293693375604 (5.57453e-07% change) - linmin: converged after 4 iterations. - iteration 658: trace = 2.449293681237842 (4.95562e-07% change) - linmin: converged after 9 iterations. - iteration 659: trace = 2.449293673098385 (3.32319e-07% change) - linmin: converged after 14 iterations. - iteration 660: trace = 2.449293670953859 (8.75569e-08% change) - large trace change predicted (2.81185e-07%) - linmin: converged after 16 iterations. - iteration 661: trace = 2.449293664066693 (2.8119e-07% change) - linmin: converged after 2 iterations. - iteration 662: trace = 2.449293657307526 (2.75964e-07% change) + iteration 1021: trace = 2.449292809043234 (3.13364e-08% change) linmin: converged after 4 iterations. - iteration 663: trace = 2.449293655285726 (8.25463e-08% change) - large trace change predicted (3.99534e-07%) - linmin: converged after 3 iterations. - iteration 664: trace = 2.449293645499768 (3.99542e-07% change) + iteration 1022: trace = 2.449292808817448 (9.21842e-09% change) + large trace change predicted (4.5008e-08%) linmin: converged after 4 iterations. - iteration 665: trace = 2.449293635575063 (4.05207e-07% change) - linmin: converged after 18 iterations. - iteration 666: trace = 2.44929363169782 (1.583e-07% change) - large trace change predicted (6.12079e-07%) - linmin: converged after 15 iterations. - iteration 667: trace = 2.449293616706415 (6.12071e-07% change) - linmin: converged after 7 iterations. - iteration 668: trace = 2.449293607473717 (3.76953e-07% change) - linmin: converged after 5 iterations. - iteration 669: trace = 2.449293601686425 (2.36284e-07% change) - linmin: converged after 3 iterations. - iteration 670: trace = 2.449293592741131 (3.65219e-07% change) - linmin: converged after 10 iterations. - iteration 671: trace = 2.449293586156217 (2.6885e-07% change) + iteration 1023: trace = 2.449292807715081 (4.50076e-08% change) linmin: converged after 6 iterations. - iteration 672: trace = 2.449293577520223 (3.52591e-07% change) + iteration 1024: trace = 2.449292806948905 (3.12815e-08% change) linmin: converged after 4 iterations. - iteration 673: trace = 2.449293563832737 (5.58834e-07% change) + iteration 1025: trace = 2.449292806693193 (1.04402e-08% change) + large trace change predicted (2.23668e-08%) linmin: converged after 4 iterations. - iteration 674: trace = 2.449293555680868 (3.32825e-07% change) + iteration 1026: trace = 2.449292806145371 (2.23665e-08% change) linmin: converged after 5 iterations. - iteration 675: trace = 2.44929355059821 (2.07515e-07% change) - linmin: converged after 15 iterations. - iteration 676: trace = 2.449293540668462 (4.05413e-07% change) - linmin: converged after 7 iterations. - iteration 677: trace = 2.449293532501581 (3.33438e-07% change) - linmin: converged after 4 iterations. - iteration 678: trace = 2.449293529614579 (1.17871e-07% change) - large trace change predicted (2.77486e-07%) - linmin: converged after 13 iterations. - iteration 679: trace = 2.449293522818142 (2.77486e-07% change) - linmin: converged after 3 iterations. - iteration 680: trace = 2.44929351758496 (2.13661e-07% change) + iteration 1027: trace = 2.449292805588042 (2.27547e-08% change) linmin: converged after 4 iterations. - iteration 681: trace = 2.449293514767307 (1.15039e-07% change) - large trace change predicted (2.89179e-07%) - linmin: converged after 3 iterations. - iteration 682: trace = 2.449293507684474 (2.89179e-07% change) + iteration 1028: trace = 2.449292805406152 (7.42621e-09% change) + large trace change predicted (2.62925e-08%) linmin: converged after 19 iterations. - iteration 683: trace = 2.449293499046686 (3.52664e-07% change) + iteration 1029: trace = 2.449292804762177 (2.62923e-08% change) linmin: converged after 4 iterations. - iteration 684: trace = 2.449293496326315 (1.11068e-07% change) - large trace change predicted (3.85903e-07%) - linmin: converged after 14 iterations. - iteration 685: trace = 2.449293486874536 (3.85898e-07% change) + iteration 1030: trace = 2.449292804228158 (2.1803e-08% change) linmin: converged after 4 iterations. - iteration 686: trace = 2.449293479702585 (2.92817e-07% change) + iteration 1031: trace = 2.449292804053953 (7.11247e-09% change) + large trace change predicted (2.13145e-08%) + linmin: converged after 2 iterations. + iteration 1032: trace = 2.449292803531893 (2.13147e-08% change) linmin: converged after 6 iterations. - iteration 687: trace = 2.449293476612279 (1.26171e-07% change) - large trace change predicted (4.75683e-07%) - linmin: converged after 9 iterations. - iteration 688: trace = 2.44929346496158 (4.75676e-07% change) - linmin: converged after 19 iterations. - iteration 689: trace = 2.449293455826329 (3.72975e-07% change) + iteration 1033: trace = 2.449292802902641 (2.56912e-08% change) linmin: converged after 4 iterations. - iteration 690: trace = 2.449293453603701 (9.07457e-08% change) - large trace change predicted (2.01899e-07%) - linmin: converged after 3 iterations. - iteration 691: trace = 2.44929344865865 (2.01897e-07% change) + iteration 1034: trace = 2.44929280269703 (8.39469e-09% change) + large trace change predicted (3.96125e-08%) + linmin: converged after 4 iterations. + iteration 1035: trace = 2.449292801726788 (3.96132e-08% change) linmin: converged after 5 iterations. - iteration 692: trace = 2.449293441017769 (3.11963e-07% change) - linmin: converged after 14 iterations. - iteration 693: trace = 2.449293439312106 (6.9639e-08% change) - large trace change predicted (3.88014e-07%) - linmin: converged after 13 iterations. - iteration 694: trace = 2.449293429808462 (3.88016e-07% change) + iteration 1036: trace = 2.449292800841701 (3.61364e-08% change) + linmin: converged after 6 iterations. + iteration 1037: trace = 2.44929280049604 (1.41127e-08% change) linmin: converged after 4 iterations. - iteration 695: trace = 2.449293423730869 (2.48137e-07% change) - linmin: converged after 7 iterations. - iteration 696: trace = 2.449293420629979 (1.26603e-07% change) - linmin: converged after 3 iterations. - iteration 697: trace = 2.449293415912063 (1.92624e-07% change) + iteration 1038: trace = 2.449292799866597 (2.5699e-08% change) linmin: converged after 4 iterations. - iteration 698: trace = 2.449293412433326 (1.4203e-07% change) - linmin: converged after 6 iterations. - iteration 699: trace = 2.449293411750081 (2.78956e-08% change) - resetting CG direction... - linmin: converged after 8 iterations. - iteration 700: trace = 2.449293411140338 (2.48946e-08% change) - large trace change predicted (8.87114e-08%) - linmin: converged after 5 iterations. - iteration 701: trace = 2.449293408967532 (8.87115e-08% change) - linmin: converged after 7 iterations. - iteration 702: trace = 2.449293405174838 (1.54849e-07% change) - linmin: converged after 8 iterations. - iteration 703: trace = 2.449293402660708 (1.02647e-07% change) - large trace change predicted (2.29789e-07%) - linmin: converged after 7 iterations. - iteration 704: trace = 2.449293397032493 (2.29789e-07% change) + iteration 1039: trace = 2.449292799040423 (3.37312e-08% change) linmin: converged after 4 iterations. - iteration 705: trace = 2.449293389321189 (3.14838e-07% change) + iteration 1040: trace = 2.449292798862287 (7.27295e-09% change) + large trace change predicted (3.28663e-08%) + linmin: converged after 5 iterations. + iteration 1041: trace = 2.449292798057297 (3.28662e-08% change) linmin: converged after 4 iterations. - iteration 706: trace = 2.449293387170937 (8.77907e-08% change) - large trace change predicted (2.75883e-07%) - linmin: converged after 13 iterations. - iteration 707: trace = 2.449293380413677 (2.75886e-07% change) + iteration 1042: trace = 2.449292797609994 (1.82625e-08% change) linmin: converged after 4 iterations. - iteration 708: trace = 2.449293376740355 (1.49975e-07% change) + iteration 1043: trace = 2.449292797353295 (1.04806e-08% change) + large trace change predicted (2.77125e-08%) + linmin: converged after 26 iterations. + iteration 1044: trace = 2.449292796674541 (2.77122e-08% change) + linmin: converged after 6 iterations. + iteration 1045: trace = 2.449292795980053 (2.83546e-08% change) + linmin: converged after 6 iterations. + iteration 1046: trace = 2.449292795580729 (1.63037e-08% change) linmin: converged after 4 iterations. - iteration 709: trace = 2.449293374438893 (9.39643e-08% change) - large trace change predicted (2.3725e-07%) - linmin: converged after 13 iterations. - iteration 710: trace = 2.449293368627877 (2.37253e-07% change) + iteration 1047: trace = 2.449292795378947 (8.23835e-09% change) linmin: converged after 5 iterations. - iteration 711: trace = 2.449293361874114 (2.75743e-07% change) + iteration 1048: trace = 2.449292795049538 (1.34492e-08% change) linmin: converged after 4 iterations. - iteration 712: trace = 2.449293358047964 (1.56214e-07% change) - linmin: converged after 5 iterations. - iteration 713: trace = 2.449293350432366 (3.1093e-07% change) - linmin: converged after 2 iterations. - iteration 714: trace = 2.449293343172245 (2.96417e-07% change) + iteration 1049: trace = 2.449292794888249 (6.58512e-09% change) + resetting CG direction... linmin: converged after 4 iterations. - iteration 715: trace = 2.449293341495746 (6.84483e-08% change) - large trace change predicted (3.32879e-07%) - linmin: converged after 5 iterations. - iteration 716: trace = 2.449293333342458 (3.32883e-07% change) + iteration 1050: trace = 2.449292794748513 (5.70517e-09% change) linmin: converged after 4 iterations. - iteration 717: trace = 2.449293327903435 (2.22065e-07% change) - linmin: converged after 5 iterations. - iteration 718: trace = 2.449293326472478 (5.84233e-08% change) - large trace change predicted (1.81779e-07%) - linmin: converged after 8 iterations. - iteration 719: trace = 2.449293322020201 (1.81778e-07% change) + iteration 1051: trace = 2.449292794488551 (1.06138e-08% change) + linmin: converged after 15 iterations. + iteration 1052: trace = 2.449292794293493 (7.96384e-09% change) linmin: converged after 4 iterations. - iteration 720: trace = 2.449293317101661 (2.00815e-07% change) + iteration 1053: trace = 2.449292793935023 (1.46356e-08% change) linmin: converged after 4 iterations. - iteration 721: trace = 2.449293315498709 (6.54455e-08% change) - large trace change predicted (2.28961e-07%) + iteration 1054: trace = 2.449292793299286 (2.5956e-08% change) linmin: converged after 4 iterations. - iteration 722: trace = 2.449293309890793 (2.28961e-07% change) + iteration 1055: trace = 2.449292792688194 (2.49497e-08% change) linmin: converged after 4 iterations. - iteration 723: trace = 2.449293304846273 (2.05958e-07% change) + iteration 1056: trace = 2.449292792506824 (7.405e-09% change) + large trace change predicted (1.7549e-08%) linmin: converged after 6 iterations. - iteration 724: trace = 2.449293302406054 (9.96295e-08% change) - large trace change predicted (3.20586e-07%) + iteration 1057: trace = 2.449292792077 (1.75489e-08% change) linmin: converged after 4 iterations. - iteration 725: trace = 2.449293294553936 (3.20587e-07% change) - linmin: converged after 16 iterations. - iteration 726: trace = 2.449293286065541 (3.46565e-07% change) - linmin: converged after 7 iterations. - iteration 727: trace = 2.449293284358994 (6.96751e-08% change) - large trace change predicted (2.39705e-07%) - linmin: converged after 6 iterations. - iteration 728: trace = 2.449293278487862 (2.39707e-07% change) + iteration 1058: trace = 2.449292791491159 (2.39188e-08% change) linmin: converged after 2 iterations. - iteration 729: trace = 2.449293271830818 (2.71794e-07% change) - linmin: converged after 4 iterations. - iteration 730: trace = 2.449293269646035 (8.92005e-08% change) - large trace change predicted (1.99113e-07%) - linmin: converged after 9 iterations. - iteration 731: trace = 2.44929326476915 (1.99114e-07% change) - linmin: converged after 6 iterations. - iteration 732: trace = 2.449293256929876 (3.20063e-07% change) + iteration 1059: trace = 2.449292791340344 (6.15747e-09% change) + large trace change predicted (2.2893e-08%) linmin: converged after 4 iterations. - iteration 733: trace = 2.449293255017268 (7.80881e-08% change) - large trace change predicted (3.02027e-07%) + iteration 1060: trace = 2.449292790779625 (2.28931e-08% change) linmin: converged after 4 iterations. - iteration 734: trace = 2.449293247619684 (3.02029e-07% change) + iteration 1061: trace = 2.449292790182855 (2.4365e-08% change) linmin: converged after 7 iterations. - iteration 735: trace = 2.449293242918402 (1.91944e-07% change) - linmin: converged after 4 iterations. - iteration 736: trace = 2.449293239792965 (1.27606e-07% change) - linmin: converged after 4 iterations. - iteration 737: trace = 2.449293237127113 (1.08842e-07% change) - linmin: converged after 13 iterations. - iteration 738: trace = 2.449293233197696 (1.60431e-07% change) - linmin: converged after 4 iterations. - iteration 739: trace = 2.449293232153095 (4.26491e-08% change) - large trace change predicted (1.24118e-07%) - linmin: converged after 11 iterations. - iteration 740: trace = 2.449293229113121 (1.24116e-07% change) - linmin: converged after 4 iterations. - iteration 741: trace = 2.449293223275536 (2.38338e-07% change) - linmin: converged after 5 iterations. - iteration 742: trace = 2.449293215989949 (2.97457e-07% change) - linmin: converged after 5 iterations. - iteration 743: trace = 2.449293212828947 (1.29058e-07% change) - large trace change predicted (3.29746e-07%) + iteration 1062: trace = 2.449292789998015 (7.54667e-09% change) + large trace change predicted (2.40342e-08%) linmin: converged after 5 iterations. - iteration 744: trace = 2.449293204752885 (3.2973e-07% change) - linmin: converged after 4 iterations. - iteration 745: trace = 2.449293198921186 (2.38097e-07% change) + iteration 1063: trace = 2.449292789409346 (2.40342e-08% change) + linmin: converged after 11 iterations. + iteration 1064: trace = 2.44929278876337 (2.6374e-08% change) linmin: converged after 4 iterations. - iteration 746: trace = 2.449293195926412 (1.22271e-07% change) - large trace change predicted (3.28784e-07%) + iteration 1065: trace = 2.44929278861029 (6.24998e-09% change) + large trace change predicted (2.34668e-08%) linmin: converged after 4 iterations. - iteration 747: trace = 2.449293187873554 (3.28783e-07% change) - linmin: converged after 10 iterations. - iteration 748: trace = 2.44929318048013 (3.01859e-07% change) + iteration 1066: trace = 2.449292788035523 (2.34667e-08% change) linmin: converged after 7 iterations. - iteration 749: trace = 2.449293176783148 (1.50941e-07% change) - large trace change predicted (3.41874e-07%) - linmin: converged after 5 iterations. - iteration 750: trace = 2.449293168409311 (3.41888e-07% change) - linmin: converged after 6 iterations. - iteration 751: trace = 2.449293161358077 (2.87889e-07% change) - linmin: converged after 4 iterations. - iteration 752: trace = 2.449293158795709 (1.04617e-07% change) - large trace change predicted (3.3662e-07%) + iteration 1067: trace = 2.44929278771365 (1.31415e-08% change) linmin: converged after 5 iterations. - iteration 753: trace = 2.449293150550567 (3.36634e-07% change) - linmin: converged after 15 iterations. - iteration 754: trace = 2.449293146104317 (1.81532e-07% change) - linmin: converged after 17 iterations. - iteration 755: trace = 2.449293142578431 (1.43955e-07% change) - linmin: converged after 7 iterations. - iteration 756: trace = 2.449293137636132 (2.01785e-07% change) - linmin: converged after 3 iterations. - iteration 757: trace = 2.449293134960425 (1.09244e-07% change) + iteration 1068: trace = 2.44929278756272 (6.16218e-09% change) linmin: converged after 5 iterations. - iteration 758: trace = 2.449293133890114 (4.36988e-08% change) - large trace change predicted (2.12186e-07%) - linmin: converged after 8 iterations. - iteration 759: trace = 2.449293128692931 (2.12191e-07% change) - linmin: converged after 2 iterations. - iteration 760: trace = 2.44929312483052 (1.57695e-07% change) + iteration 1069: trace = 2.449292787267259 (1.20631e-08% change) linmin: converged after 4 iterations. - iteration 761: trace = 2.449293122817416 (8.21912e-08% change) - large trace change predicted (2.14328e-07%) - linmin: converged after 18 iterations. - iteration 762: trace = 2.449293117567795 (2.14332e-07% change) - linmin: converged after 5 iterations. - iteration 763: trace = 2.449293109478727 (3.30261e-07% change) - linmin: converged after 16 iterations. - iteration 764: trace = 2.449293107303254 (8.88204e-08% change) - large trace change predicted (2.89887e-07%) + iteration 1070: trace = 2.449292787035459 (9.46395e-09% change) linmin: converged after 7 iterations. - iteration 765: trace = 2.449293100203215 (2.89881e-07% change) - linmin: converged after 13 iterations. - iteration 766: trace = 2.449293092678574 (3.07217e-07% change) - linmin: converged after 4 iterations. - iteration 767: trace = 2.449293089356407 (1.35638e-07% change) - large trace change predicted (4.10872e-07%) - linmin: converged after 4 iterations. - iteration 768: trace = 2.449293079292906 (4.10874e-07% change) - large trace change predicted (1.88903e-06%) - linmin: converged after 4 iterations. - iteration 769: trace = 2.449293033020493 (1.88922e-06% change) - resetting CG direction... + iteration 1071: trace = 2.449292786799388 (9.63832e-09% change) linmin: converged after 7 iterations. - iteration 770: trace = 2.449293017859338 (6.19001e-07% change) + iteration 1072: trace = 2.449292786368752 (1.75821e-08% change) linmin: converged after 4 iterations. - iteration 771: trace = 2.449292997335465 (8.37951e-07% change) - linmin: converged after 3 iterations. - iteration 772: trace = 2.449292990055918 (2.9721e-07% change) - linmin: converged after 3 iterations. - iteration 773: trace = 2.449292986875904 (1.29834e-07% change) - linmin: converged after 6 iterations. - iteration 774: trace = 2.44929298194117 (2.01476e-07% change) - linmin: converged after 2 iterations. - iteration 775: trace = 2.449292977513544 (1.80772e-07% change) + iteration 1073: trace = 2.449292786133097 (9.62137e-09% change) linmin: converged after 4 iterations. - iteration 776: trace = 2.449292975985296 (6.23955e-08% change) - large trace change predicted (1.40361e-07%) - linmin: converged after 5 iterations. - iteration 777: trace = 2.449292972547426 (1.40362e-07% change) - linmin: converged after 6 iterations. - iteration 778: trace = 2.449292970281747 (9.25034e-08% change) + iteration 1074: trace = 2.449292785956286 (7.21886e-09% change) + large trace change predicted (1.83737e-08%) linmin: converged after 4 iterations. - iteration 779: trace = 2.449292968669508 (6.58247e-08% change) + iteration 1075: trace = 2.449292785506262 (1.83736e-08% change) linmin: converged after 4 iterations. - iteration 780: trace = 2.449292965488973 (1.29855e-07% change) + iteration 1076: trace = 2.449292784948675 (2.27652e-08% change) linmin: converged after 4 iterations. - iteration 781: trace = 2.449292963452461 (8.31469e-08% change) + iteration 1077: trace = 2.449292784791586 (6.41367e-09% change) + large trace change predicted (1.58865e-08%) + linmin: converged after 2 iterations. + iteration 1078: trace = 2.449292784402469 (1.58869e-08% change) linmin: converged after 4 iterations. - iteration 782: trace = 2.449292962030898 (5.80397e-08% change) - linmin: converged after 5 iterations. - iteration 783: trace = 2.449292960401037 (6.65441e-08% change) - linmin: converged after 12 iterations. - iteration 784: trace = 2.44929295936435 (4.2326e-08% change) - linmin: converged after 3 iterations. - iteration 785: trace = 2.449292957887395 (6.03013e-08% change) - large trace change predicted (1.64174e-07%) - linmin: converged after 7 iterations. - iteration 786: trace = 2.449292953866421 (1.64169e-07% change) + iteration 1079: trace = 2.449292784067312 (1.36838e-08% change) linmin: converged after 6 iterations. - iteration 787: trace = 2.449292952324942 (6.29357e-08% change) - linmin: converged after 22 iterations. - iteration 788: trace = 2.449292949756055 (1.04883e-07% change) - linmin: converged after 4 iterations. - iteration 789: trace = 2.449292946340921 (1.39433e-07% change) - linmin: converged after 12 iterations. - iteration 790: trace = 2.449292943466925 (1.1734e-07% change) + iteration 1080: trace = 2.449292783690659 (1.5378e-08% change) + linmin: converged after 8 iterations. + iteration 1081: trace = 2.44929278354041 (6.13439e-09% change) + large trace change predicted (1.65632e-08%) linmin: converged after 4 iterations. - iteration 791: trace = 2.449292941449611 (8.23631e-08% change) - large trace change predicted (1.76286e-07%) + iteration 1082: trace = 2.44929278313473 (1.65631e-08% change) linmin: converged after 4 iterations. - iteration 792: trace = 2.449292937131886 (1.76285e-07% change) + iteration 1083: trace = 2.44929278279746 (1.37701e-08% change) linmin: converged after 6 iterations. - iteration 793: trace = 2.44929293471257 (9.87761e-08% change) + iteration 1084: trace = 2.449292782607194 (7.76818e-09% change) linmin: converged after 4 iterations. - iteration 794: trace = 2.449292933570916 (4.66116e-08% change) - large trace change predicted (1.0952e-07%) - linmin: converged after 16 iterations. - iteration 795: trace = 2.449292930888411 (1.09522e-07% change) - linmin: converged after 4 iterations. - iteration 796: trace = 2.449292928472271 (9.86465e-08% change) - linmin: converged after 9 iterations. - iteration 797: trace = 2.44929292752214 (3.87921e-08% change) - large trace change predicted (1.29005e-07%) - linmin: converged after 5 iterations. - iteration 798: trace = 2.449292924362227 (1.29013e-07% change) - linmin: converged after 4 iterations. - iteration 799: trace = 2.449292922608704 (7.1593e-08% change) + iteration 1085: trace = 2.449292782311102 (1.20889e-08% change) linmin: converged after 4 iterations. - iteration 800: trace = 2.449292921987183 (2.53755e-08% change) + iteration 1086: trace = 2.449292782192507 (4.84201e-09% change) linmin: converged after 4 iterations. - iteration 801: trace = 2.449292920856802 (4.61513e-08% change) - linmin: converged after 12 iterations. - iteration 802: trace = 2.449292919242745 (6.58989e-08% change) - linmin: converged after 4 iterations. - iteration 803: trace = 2.449292918906371 (1.37335e-08% change) - large trace change predicted (5.3093e-08%) - linmin: converged after 13 iterations. - iteration 804: trace = 2.449292917605954 (5.30936e-08% change) - linmin: converged after 9 iterations. - iteration 805: trace = 2.449292915746954 (7.58995e-08% change) - linmin: converged after 3 iterations. - iteration 806: trace = 2.449292915173552 (2.34109e-08% change) - large trace change predicted (1.23819e-07%) - linmin: converged after 4 iterations. - iteration 807: trace = 2.449292912140874 (1.23819e-07% change) - linmin: converged after 4 iterations. - iteration 808: trace = 2.449292909165388 (1.21483e-07% change) - linmin: converged after 3 iterations. - iteration 809: trace = 2.449292908355971 (3.3047e-08% change) + iteration 1087: trace = 2.44929278198921 (8.30025e-09% change) + linmin: converged after 2 iterations. + iteration 1088: trace = 2.449292781818605 (6.96546e-09% change) linmin: converged after 8 iterations. - iteration 810: trace = 2.449292907006068 (5.5114e-08% change) - linmin: converged after 4 iterations. - iteration 811: trace = 2.449292904765311 (9.14859e-08% change) - linmin: converged after 4 iterations. - iteration 812: trace = 2.449292904283508 (1.96711e-08% change) - large trace change predicted (7.5548e-08%) - linmin: converged after 6 iterations. - iteration 813: trace = 2.449292902433123 (7.55477e-08% change) + iteration 1089: trace = 2.4492927816567 (6.61028e-09% change) + linmin: converged after 7 iterations. + iteration 1090: trace = 2.449292781579413 (3.1555e-09% change) + large trace change predicted (1.19049e-08%) linmin: converged after 6 iterations. - iteration 814: trace = 2.449292900882532 (6.33077e-08% change) + iteration 1091: trace = 2.449292781287827 (1.19049e-08% change) linmin: converged after 4 iterations. - iteration 815: trace = 2.449292900154227 (2.97353e-08% change) - large trace change predicted (8.10514e-08%) - linmin: converged after 11 iterations. - iteration 816: trace = 2.44929289816905 (8.1051e-08% change) + iteration 1092: trace = 2.449292780971939 (1.28971e-08% change) linmin: converged after 4 iterations. - iteration 817: trace = 2.449292896565611 (6.54654e-08% change) - linmin: converged after 5 iterations. - iteration 818: trace = 2.449292896116787 (1.83246e-08% change) - large trace change predicted (6.52536e-08%) + iteration 1093: trace = 2.449292780822923 (6.08407e-09% change) + linmin: converged after 8 iterations. + iteration 1094: trace = 2.449292780558238 (1.08066e-08% change) linmin: converged after 4 iterations. - iteration 819: trace = 2.449292894518531 (6.52538e-08% change) + iteration 1095: trace = 2.449292780196156 (1.47831e-08% change) linmin: converged after 4 iterations. - iteration 820: trace = 2.449292893654204 (3.52888e-08% change) - linmin: converged after 6 iterations. - iteration 821: trace = 2.449292893082696 (2.33336e-08% change) - linmin: converged after 6 iterations. - iteration 822: trace = 2.449292892102284 (4.00284e-08% change) + iteration 1096: trace = 2.449292780102404 (3.82772e-09% change) + large trace change predicted (1.49721e-08%) + linmin: converged after 18 iterations. + iteration 1097: trace = 2.449292779735689 (1.49723e-08% change) + linmin: converged after 27 iterations. + iteration 1098: trace = 2.449292779477893 (1.05253e-08% change) linmin: converged after 6 iterations. - iteration 823: trace = 2.44929289059465 (6.15539e-08% change) - linmin: converged after 5 iterations. - iteration 824: trace = 2.449292890180633 (1.69035e-08% change) - large trace change predicted (6.98948e-08%) - linmin: converged after 4 iterations. - iteration 825: trace = 2.44929288846872 (6.98942e-08% change) + iteration 1099: trace = 2.449292779351261 (5.17013e-09% change) + large trace change predicted (1.45465e-08%) + linmin: converged after 26 iterations. + iteration 1100: trace = 2.449292778994973 (1.45466e-08% change) + linmin: converged after 10 iterations. + iteration 1101: trace = 2.449292778736185 (1.05658e-08% change) linmin: converged after 4 iterations. - iteration 826: trace = 2.449292887120091 (5.5062e-08% change) + iteration 1102: trace = 2.44929277864646 (3.66327e-09% change) + large trace change predicted (1.23123e-08%) + linmin: converged after 25 iterations. + iteration 1103: trace = 2.449292778344891 (1.23125e-08% change) + linmin: converged after 15 iterations. + iteration 1104: trace = 2.449292778191797 (6.25057e-09% change) + linmin: converged after 21 iterations. + iteration 1105: trace = 2.44929277811682 (3.06115e-09% change) + linmin: converged after 16 iterations. + iteration 1106: trace = 2.449292777968184 (6.06854e-09% change) + linmin: converged after 10 iterations. + iteration 1107: trace = 2.449292777846426 (4.97116e-09% change) + linmin: converged after 22 iterations. + iteration 1108: trace = 2.449292777810729 (1.45743e-09% change) + large trace change predicted (5.80597e-09%) + linmin: converged after 15 iterations. + iteration 1109: trace = 2.449292777668521 (5.80607e-09% change) linmin: converged after 6 iterations. - iteration 827: trace = 2.449292885710225 (5.75621e-08% change) + iteration 1110: trace = 2.449292777570303 (4.01009e-09% change) + linmin: converged after 5 iterations. + iteration 1111: trace = 2.449292777391268 (7.30964e-09% change) linmin: converged after 2 iterations. - iteration 828: trace = 2.449292884715976 (4.05933e-08% change) - large trace change predicted (8.82631e-08%) + iteration 1112: trace = 2.449292777341831 (2.01842e-09% change) + large trace change predicted (1.11767e-08%) + linmin: converged after 9 iterations. + iteration 1113: trace = 2.449292777068081 (1.11767e-08% change) linmin: converged after 6 iterations. - iteration 829: trace = 2.449292882554172 (8.82624e-08% change) - linmin: converged after 7 iterations. - iteration 830: trace = 2.449292882047176 (2.06997e-08% change) - linmin: converged after 16 iterations. - iteration 831: trace = 2.44929288114976 (3.66398e-08% change) - linmin: converged after 16 iterations. - iteration 832: trace = 2.449292879853422 (5.2927e-08% change) - linmin: converged after 7 iterations. - iteration 833: trace = 2.449292879303432 (2.24551e-08% change) - large trace change predicted (4.5898e-08%) - linmin: converged after 4 iterations. - iteration 834: trace = 2.449292878179263 (4.58977e-08% change) - linmin: converged after 8 iterations. - iteration 835: trace = 2.449292876556131 (6.62694e-08% change) - linmin: converged after 4 iterations. - iteration 836: trace = 2.449292875733296 (3.35948e-08% change) + iteration 1114: trace = 2.449292776921226 (5.99581e-09% change) + linmin: converged after 9 iterations. + iteration 1115: trace = 2.449292776827568 (3.8239e-09% change) linmin: converged after 4 iterations. - iteration 837: trace = 2.449292875150569 (2.37917e-08% change) + iteration 1116: trace = 2.449292776652209 (7.15959e-09% change) + linmin: converged after 19 iterations. + iteration 1117: trace = 2.44929277643157 (9.00824e-09% change) linmin: converged after 4 iterations. - iteration 838: trace = 2.449292874393678 (3.09024e-08% change) - linmin: converged after 3 iterations. - iteration 839: trace = 2.449292874080253 (1.27965e-08% change) + iteration 1118: trace = 2.44929277635726 (3.03395e-09% change) + large trace change predicted (6.60153e-08%) + linmin: converged after 14 iterations. + iteration 1119: trace = 2.449292774740356 (6.60151e-08% change) resetting CG direction... - linmin: converged after 21 iterations. - iteration 840: trace = 2.449292873967415 (4.60697e-09% change) - large trace change predicted (1.69055e-08%) - linmin: converged after 17 iterations. - iteration 841: trace = 2.44929287355335 (1.69055e-08% change) - linmin: converged after 4 iterations. - iteration 842: trace = 2.44929287306852 (1.97947e-08% change) - linmin: converged after 7 iterations. - iteration 843: trace = 2.449292872508723 (2.28555e-08% change) - large trace change predicted (4.9977e-08%) - linmin: converged after 9 iterations. - iteration 844: trace = 2.449292871284631 (4.99774e-08% change) - linmin: converged after 21 iterations. - iteration 845: trace = 2.449292870579088 (2.8806e-08% change) - linmin: converged after 13 iterations. - iteration 846: trace = 2.449292869672021 (3.70338e-08% change) + linmin: converged after 2 iterations. + iteration 1120: trace = 2.449292773826969 (3.72919e-08% change) + linmin: converged after 5 iterations. + iteration 1121: trace = 2.449292773661103 (6.77203e-09% change) + large trace change predicted (1.52266e-08%) linmin: converged after 4 iterations. - iteration 847: trace = 2.449292868796988 (3.57259e-08% change) - linmin: converged after 6 iterations. - iteration 848: trace = 2.449292868026058 (3.14756e-08% change) + iteration 1122: trace = 2.449292773288148 (1.5227e-08% change) linmin: converged after 5 iterations. - iteration 849: trace = 2.449292867457215 (2.32248e-08% change) - large trace change predicted (4.70101e-08%) - linmin: converged after 10 iterations. - iteration 850: trace = 2.449292866305782 (4.70108e-08% change) - linmin: converged after 8 iterations. - iteration 851: trace = 2.449292865714547 (2.4139e-08% change) - large trace change predicted (6.01496e-08%) - linmin: converged after 12 iterations. - iteration 852: trace = 2.449292864241292 (6.01502e-08% change) + iteration 1123: trace = 2.449292773110268 (7.26248e-09% change) + linmin: converged after 13 iterations. + iteration 1124: trace = 2.449292773045362 (2.65002e-09% change) + large trace change predicted (7.0019e-09%) linmin: converged after 4 iterations. - iteration 853: trace = 2.449292863098565 (4.66554e-08% change) + iteration 1125: trace = 2.449292772873864 (7.00194e-09% change) + linmin: converged after 13 iterations. + iteration 1126: trace = 2.449292772780487 (3.81242e-09% change) + linmin: converged after 2 iterations. + iteration 1127: trace = 2.449292772738024 (1.73364e-09% change) + large trace change predicted (8.16748e-09%) + linmin: converged after 20 iterations. + iteration 1128: trace = 2.449292772537977 (8.16758e-09% change) linmin: converged after 4 iterations. - iteration 854: trace = 2.449292862614544 (1.97616e-08% change) - large trace change predicted (3.99072e-08%) + iteration 1129: trace = 2.449292772423463 (4.67536e-09% change) + linmin: converged after 5 iterations. + iteration 1130: trace = 2.449292772335387 (3.596e-09% change) + linmin: converged after 2 iterations. + iteration 1131: trace = 2.44929277224599 (3.64989e-09% change) linmin: converged after 4 iterations. - iteration 855: trace = 2.449292861637095 (3.99074e-08% change) - linmin: converged after 10 iterations. - iteration 856: trace = 2.449292860121806 (6.18664e-08% change) - linmin: converged after 16 iterations. - iteration 857: trace = 2.449292859769265 (1.43936e-08% change) - large trace change predicted (3.14806e-08%) + iteration 1132: trace = 2.449292772217123 (1.17857e-09% change) + linmin: converged after 9 iterations. + iteration 1133: trace = 2.449292772167696 (2.01802e-09% change) + large trace change predicted (5.59337e-09%) linmin: converged after 4 iterations. - iteration 858: trace = 2.449292858998214 (3.14805e-08% change) + iteration 1134: trace = 2.449292772030703 (5.59319e-09% change) + linmin: converged after 3 iterations. + iteration 1135: trace = 2.449292771937594 (3.80147e-09% change) + linmin: converged after 2 iterations. + iteration 1136: trace = 2.449292771878465 (2.4141e-09% change) + large trace change predicted (5.55732e-09%) + linmin: converged after 5 iterations. + iteration 1137: trace = 2.449292771742349 (5.55736e-09% change) + linmin: converged after 15 iterations. + iteration 1138: trace = 2.449292771616854 (5.12375e-09% change) + linmin: converged after 18 iterations. + iteration 1139: trace = 2.449292771535171 (3.33495e-09% change) + large trace change predicted (8.9261e-09%) linmin: converged after 4 iterations. - iteration 859: trace = 2.449292858159179 (3.42562e-08% change) + iteration 1140: trace = 2.449292771316544 (8.92614e-09% change) linmin: converged after 4 iterations. - iteration 860: trace = 2.449292857763835 (1.61411e-08% change) + iteration 1141: trace = 2.449292771192733 (5.05494e-09% change) linmin: converged after 8 iterations. - iteration 861: trace = 2.449292857082745 (2.78076e-08% change) - linmin: converged after 4 iterations. - iteration 862: trace = 2.44929285597718 (4.51381e-08% change) - linmin: converged after 4 iterations. - iteration 863: trace = 2.449292855555715 (1.72077e-08% change) + iteration 1142: trace = 2.449292771025006 (6.84798e-09% change) + linmin: converged after 5 iterations. + iteration 1143: trace = 2.449292770841136 (7.50709e-09% change) linmin: converged after 16 iterations. - iteration 864: trace = 2.449292854812911 (3.03273e-08% change) - large trace change predicted (6.69542e-08%) + iteration 1144: trace = 2.449292770628487 (8.68206e-09% change) linmin: converged after 4 iterations. - iteration 865: trace = 2.449292853173 (6.69545e-08% change) - linmin: converged after 6 iterations. - iteration 866: trace = 2.449292851727355 (5.9023e-08% change) + iteration 1145: trace = 2.449292770572876 (2.27046e-09% change) + large trace change predicted (9.59118e-09%) + linmin: converged after 5 iterations. + iteration 1146: trace = 2.449292770337971 (9.59076e-09% change) linmin: converged after 22 iterations. - iteration 867: trace = 2.449292851389133 (1.3809e-08% change) - large trace change predicted (4.38061e-08%) - linmin: converged after 9 iterations. - iteration 868: trace = 2.449292850316193 (4.38061e-08% change) - linmin: converged after 3 iterations. - iteration 869: trace = 2.449292849136188 (4.81774e-08% change) + iteration 1147: trace = 2.449292770193991 (5.87841e-09% change) + linmin: converged after 21 iterations. + iteration 1148: trace = 2.449292770115609 (3.2002e-09% change) linmin: converged after 3 iterations. - iteration 870: trace = 2.449292848822578 (1.28041e-08% change) - large trace change predicted (4.5316e-08%) - linmin: converged after 6 iterations. - iteration 871: trace = 2.449292847712644 (4.53165e-08% change) + iteration 1149: trace = 2.449292769973512 (5.80153e-09% change) linmin: converged after 4 iterations. - iteration 872: trace = 2.449292846443147 (5.18312e-08% change) - linmin: converged after 6 iterations. - iteration 873: trace = 2.449292845748386 (2.83658e-08% change) - linmin: converged after 4 iterations. - iteration 874: trace = 2.449292845007645 (3.0243e-08% change) - linmin: converged after 8 iterations. - iteration 875: trace = 2.449292843850388 (4.72486e-08% change) + iteration 1150: trace = 2.449292769851855 (4.96702e-09% change) + linmin: converged after 2 iterations. + iteration 1151: trace = 2.449292769817327 (1.40975e-09% change) + large trace change predicted (4.89953e-09%) linmin: converged after 4 iterations. - iteration 876: trace = 2.449292843117773 (2.99113e-08% change) - linmin: converged after 3 iterations. - iteration 877: trace = 2.449292842599656 (2.11537e-08% change) + iteration 1152: trace = 2.449292769697308 (4.90014e-09% change) linmin: converged after 4 iterations. - iteration 878: trace = 2.449292841835009 (3.12191e-08% change) - linmin: converged after 24 iterations. - iteration 879: trace = 2.449292841435062 (1.63291e-08% change) + iteration 1153: trace = 2.449292769618326 (3.22469e-09% change) linmin: converged after 4 iterations. - iteration 880: trace = 2.449292841175833 (1.05839e-08% change) - large trace change predicted (4.84804e-08%) + iteration 1154: trace = 2.449292769526202 (3.76125e-09% change) + linmin: converged after 11 iterations. + iteration 1155: trace = 2.449292769459863 (2.70848e-09% change) + large trace change predicted (7.90791e-09%) linmin: converged after 4 iterations. - iteration 881: trace = 2.449292839988434 (4.84793e-08% change) + iteration 1156: trace = 2.449292769266177 (7.90783e-09% change) linmin: converged after 6 iterations. - iteration 882: trace = 2.449292839130921 (3.50106e-08% change) - linmin: converged after 4 iterations. - iteration 883: trace = 2.449292838172862 (3.91157e-08% change) + iteration 1157: trace = 2.449292769074872 (7.81061e-09% change) + linmin: converged after 5 iterations. + iteration 1158: trace = 2.449292769009946 (2.65082e-09% change) + large trace change predicted (9.47498e-09%) linmin: converged after 4 iterations. - iteration 884: trace = 2.4492928368989 (5.20135e-08% change) - linmin: converged after 6 iterations. - iteration 885: trace = 2.449292835283679 (6.59464e-08% change) + iteration 1159: trace = 2.449292768777874 (9.47509e-09% change) linmin: converged after 4 iterations. - iteration 886: trace = 2.449292834895996 (1.58284e-08% change) - large trace change predicted (6.78066e-08%) - linmin: converged after 6 iterations. - iteration 887: trace = 2.449292833235237 (6.78056e-08% change) + iteration 1160: trace = 2.449292768629185 (6.07066e-09% change) + linmin: converged after 8 iterations. + iteration 1161: trace = 2.449292768548679 (3.28694e-09% change) + linmin: converged after 3 iterations. + iteration 1162: trace = 2.449292768404986 (5.86672e-09% change) linmin: converged after 7 iterations. - iteration 888: trace = 2.449292832369222 (3.53578e-08% change) + iteration 1163: trace = 2.449292768224685 (7.36135e-09% change) linmin: converged after 3 iterations. - iteration 889: trace = 2.449292831384404 (4.02083e-08% change) - linmin: converged after 4 iterations. - iteration 890: trace = 2.449292830191172 (4.87174e-08% change) - linmin: converged after 4 iterations. - iteration 891: trace = 2.449292829316749 (3.5701e-08% change) + iteration 1164: trace = 2.449292768123249 (4.14141e-09% change) linmin: converged after 4 iterations. - iteration 892: trace = 2.449292828219289 (4.48072e-08% change) - linmin: converged after 2 iterations. - iteration 893: trace = 2.449292826985967 (5.03542e-08% change) - linmin: converged after 15 iterations. - iteration 894: trace = 2.449292826584196 (1.64036e-08% change) - large trace change predicted (4.22061e-08%) - linmin: converged after 4 iterations. - iteration 895: trace = 2.449292825550431 (4.22066e-08% change) - linmin: converged after 4 iterations. - iteration 896: trace = 2.449292824858348 (2.82565e-08% change) - linmin: converged after 4 iterations. - iteration 897: trace = 2.449292824362147 (2.0259e-08% change) - linmin: converged after 9 iterations. - iteration 898: trace = 2.449292824113142 (1.01664e-08% change) - large trace change predicted (3.98197e-08%) - linmin: converged after 5 iterations. - iteration 899: trace = 2.449292823137826 (3.98203e-08% change) - linmin: converged after 4 iterations. - iteration 900: trace = 2.449292822549128 (2.40354e-08% change) - linmin: converged after 3 iterations. - iteration 901: trace = 2.449292822024046 (2.14381e-08% change) - linmin: converged after 2 iterations. - iteration 902: trace = 2.449292821063121 (3.92327e-08% change) - linmin: converged after 5 iterations. - iteration 903: trace = 2.44929281949104 (6.41851e-08% change) + iteration 1165: trace = 2.449292767998877 (5.07789e-09% change) linmin: converged after 4 iterations. - iteration 904: trace = 2.449292819103697 (1.58145e-08% change) - large trace change predicted (6.34558e-08%) + iteration 1166: trace = 2.449292767826133 (7.05281e-09% change) linmin: converged after 4 iterations. - iteration 905: trace = 2.449292817549491 (6.34553e-08% change) + iteration 1167: trace = 2.449292767772701 (2.18152e-09% change) linmin: converged after 6 iterations. - iteration 906: trace = 2.449292816251781 (5.29831e-08% change) - linmin: converged after 4 iterations. - iteration 907: trace = 2.449292815514756 (3.00913e-08% change) - large trace change predicted (9.99597e-08%) - linmin: converged after 6 iterations. - iteration 908: trace = 2.449292813066457 (9.99594e-08% change) - large trace change predicted (2.32544e-07%) - linmin: converged after 2 iterations. - iteration 909: trace = 2.44929280737074 (2.32545e-07% change) - resetting CG direction... - linmin: converged after 4 iterations. - iteration 910: trace = 2.449292804767744 (1.06275e-07% change) - linmin: converged after 2 iterations. - iteration 911: trace = 2.449292802463312 (9.40856e-08% change) - linmin: converged after 4 iterations. - iteration 912: trace = 2.449292800963751 (6.12242e-08% change) - linmin: converged after 4 iterations. - iteration 913: trace = 2.4492928003545 (2.48746e-08% change) - linmin: converged after 4 iterations. - iteration 914: trace = 2.449292799184187 (4.77817e-08% change) - linmin: converged after 12 iterations. - iteration 915: trace = 2.449292798406269 (3.17609e-08% change) - linmin: converged after 8 iterations. - iteration 916: trace = 2.449292798101766 (1.24323e-08% change) - large trace change predicted (2.81206e-08%) - linmin: converged after 5 iterations. - iteration 917: trace = 2.449292797412998 (2.81211e-08% change) + iteration 1168: trace = 2.449292767667119 (4.31072e-09% change) linmin: converged after 5 iterations. - iteration 918: trace = 2.449292796953241 (1.8771e-08% change) - linmin: converged after 24 iterations. - iteration 919: trace = 2.449292796599247 (1.44529e-08% change) - linmin: converged after 4 iterations. - iteration 920: trace = 2.449292796051903 (2.2347e-08% change) + iteration 1169: trace = 2.449292767515231 (6.20129e-09% change) linmin: converged after 4 iterations. - iteration 921: trace = 2.449292795842403 (8.55347e-09% change) - linmin: converged after 3 iterations. - iteration 922: trace = 2.449292795507014 (1.36933e-08% change) + iteration 1170: trace = 2.449292767478925 (1.48231e-09% change) + large trace change predicted (6.63506e-09%) + linmin: converged after 13 iterations. + iteration 1171: trace = 2.449292767316414 (6.63499e-09% change) linmin: converged after 4 iterations. - iteration 923: trace = 2.449292795126459 (1.55373e-08% change) + iteration 1172: trace = 2.449292767235886 (3.28783e-09% change) linmin: converged after 4 iterations. - iteration 924: trace = 2.449292794644464 (1.96789e-08% change) - linmin: converged after 17 iterations. - iteration 925: trace = 2.449292794445311 (8.13106e-09% change) - large trace change predicted (2.50347e-08%) + iteration 1173: trace = 2.449292767166564 (2.83028e-09% change) + linmin: converged after 2 iterations. + iteration 1174: trace = 2.449292767052403 (4.66098e-09% change) + linmin: converged after 9 iterations. + iteration 1175: trace = 2.449292766853771 (8.10978e-09% change) linmin: converged after 4 iterations. - iteration 926: trace = 2.449292793832144 (2.50344e-08% change) - linmin: converged after 23 iterations. - iteration 927: trace = 2.44929279346304 (1.50698e-08% change) - linmin: converged after 5 iterations. - iteration 928: trace = 2.449292793159334 (1.23997e-08% change) - large trace change predicted (3.61892e-08%) + iteration 1176: trace = 2.449292766795443 (2.38139e-09% change) + large trace change predicted (8.65286e-09%) linmin: converged after 7 iterations. - iteration 929: trace = 2.449292792272968 (3.61886e-08% change) - linmin: converged after 3 iterations. - iteration 930: trace = 2.449292791951839 (1.31111e-08% change) - linmin: converged after 5 iterations. - iteration 931: trace = 2.449292791582293 (1.50879e-08% change) - linmin: converged after 4 iterations. - iteration 932: trace = 2.449292790908833 (2.74961e-08% change) - linmin: converged after 4 iterations. - iteration 933: trace = 2.449292790287225 (2.53791e-08% change) - linmin: converged after 16 iterations. - iteration 934: trace = 2.449292790149227 (5.6342e-09% change) - large trace change predicted (2.59762e-08%) - linmin: converged after 4 iterations. - iteration 935: trace = 2.449292789512982 (2.59767e-08% change) + iteration 1177: trace = 2.449292766583514 (8.65268e-09% change) + linmin: converged after 7 iterations. + iteration 1178: trace = 2.44929276642986 (6.2734e-09% change) linmin: converged after 4 iterations. - iteration 936: trace = 2.449292788960277 (2.25659e-08% change) + iteration 1179: trace = 2.449292766301142 (5.25529e-09% change) + linmin: converged after 19 iterations. + iteration 1180: trace = 2.449292766200699 (4.10092e-09% change) + linmin: converged after 3 iterations. + iteration 1181: trace = 2.449292766011317 (7.73209e-09% change) + linmin: converged after 24 iterations. + iteration 1182: trace = 2.449292765940998 (2.87099e-09% change) linmin: converged after 4 iterations. - iteration 937: trace = 2.449292788817194 (5.84182e-09% change) - large trace change predicted (1.65993e-08%) + iteration 1183: trace = 2.449292765857201 (3.42131e-09% change) linmin: converged after 4 iterations. - iteration 938: trace = 2.449292788410628 (1.65993e-08% change) + iteration 1184: trace = 2.449292765733088 (5.06729e-09% change) linmin: converged after 4 iterations. - iteration 939: trace = 2.449292788061161 (1.42681e-08% change) - linmin: converged after 5 iterations. - iteration 940: trace = 2.449292787904088 (6.41298e-09% change) + iteration 1185: trace = 2.449292765577861 (6.3376e-09% change) linmin: converged after 4 iterations. - iteration 941: trace = 2.449292787727407 (7.21355e-09% change) + iteration 1186: trace = 2.449292765515188 (2.55884e-09% change) linmin: converged after 5 iterations. - iteration 942: trace = 2.449292787440076 (1.17312e-08% change) - linmin: converged after 6 iterations. - iteration 943: trace = 2.449292787216697 (9.12013e-09% change) - linmin: converged after 14 iterations. - iteration 944: trace = 2.449292787086417 (5.31911e-09% change) - large trace change predicted (2.13184e-08%) - linmin: converged after 6 iterations. - iteration 945: trace = 2.449292786564272 (2.13182e-08% change) - linmin: converged after 6 iterations. - iteration 946: trace = 2.449292786386931 (7.24049e-09% change) - large trace change predicted (2.13741e-08%) - linmin: converged after 6 iterations. - iteration 947: trace = 2.449292785863411 (2.13743e-08% change) - linmin: converged after 2 iterations. - iteration 948: trace = 2.449292785444216 (1.71149e-08% change) - linmin: converged after 4 iterations. - iteration 949: trace = 2.449292785222719 (9.04329e-09% change) - linmin: converged after 6 iterations. - iteration 950: trace = 2.449292784831595 (1.59689e-08% change) + iteration 1187: trace = 2.449292765394374 (4.93259e-09% change) + linmin: converged after 13 iterations. + iteration 1188: trace = 2.449292765328526 (2.68848e-09% change) linmin: converged after 4 iterations. - iteration 951: trace = 2.449292784342337 (1.99755e-08% change) + iteration 1189: trace = 2.449292765302933 (1.04491e-09% change) + resetting CG direction... linmin: converged after 4 iterations. - iteration 952: trace = 2.449292784199534 (5.8304e-09% change) - linmin: converged after 17 iterations. - iteration 953: trace = 2.449292783988332 (8.62297e-09% change) - linmin: converged after 5 iterations. - iteration 954: trace = 2.449292783654258 (1.36396e-08% change) + iteration 1190: trace = 2.449292765283915 (7.76474e-10% change) + linmin: converged after 9 iterations. + iteration 1191: trace = 2.449292765253366 (1.24725e-09% change) + large trace change predicted (3.38512e-09%) linmin: converged after 4 iterations. - iteration 955: trace = 2.449292783500174 (6.29095e-09% change) - linmin: converged after 2 iterations. - iteration 956: trace = 2.449292783208447 (1.19106e-08% change) + iteration 1192: trace = 2.449292765170451 (3.38526e-09% change) linmin: converged after 6 iterations. - iteration 957: trace = 2.449292782947198 (1.06663e-08% change) + iteration 1193: trace = 2.449292765140592 (1.2191e-09% change) + large trace change predicted (6.39301e-09%) + linmin: converged after 9 iterations. + iteration 1194: trace = 2.449292764984 (6.39334e-09% change) linmin: converged after 4 iterations. - iteration 958: trace = 2.449292782853326 (3.8326e-09% change) - large trace change predicted (8.90601e-09%) + iteration 1195: trace = 2.449292764858854 (5.10946e-09% change) + linmin: converged after 14 iterations. + iteration 1196: trace = 2.449292764783666 (3.06978e-09% change) linmin: converged after 5 iterations. - iteration 959: trace = 2.449292782635202 (8.9056e-09% change) - linmin: converged after 21 iterations. - iteration 960: trace = 2.449292782448499 (7.62273e-09% change) - linmin: converged after 15 iterations. - iteration 961: trace = 2.449292782248253 (8.17567e-09% change) - linmin: converged after 16 iterations. - iteration 962: trace = 2.449292782146571 (4.15146e-09% change) - large trace change predicted (1.25185e-08%) - linmin: converged after 4 iterations. - iteration 963: trace = 2.449292781839952 (1.25187e-08% change) + iteration 1197: trace = 2.449292764687565 (3.92365e-09% change) + linmin: converged after 20 iterations. + iteration 1198: trace = 2.449292764562343 (5.11258e-09% change) linmin: converged after 12 iterations. - iteration 964: trace = 2.4492927815918 (1.01315e-08% change) - linmin: converged after 6 iterations. - iteration 965: trace = 2.449292781489148 (4.19109e-09% change) - large trace change predicted (1.03353e-08%) - linmin: converged after 13 iterations. - iteration 966: trace = 2.449292781236014 (1.0335e-08% change) - linmin: converged after 17 iterations. - iteration 967: trace = 2.449292780804872 (1.76027e-08% change) - linmin: converged after 27 iterations. - iteration 968: trace = 2.449292780674483 (5.32354e-09% change) - large trace change predicted (1.3142e-08%) - linmin: converged after 4 iterations. - iteration 969: trace = 2.449292780352598 (1.31419e-08% change) - linmin: converged after 22 iterations. - iteration 970: trace = 2.449292780049838 (1.23611e-08% change) - linmin: converged after 5 iterations. - iteration 971: trace = 2.449292779979538 (2.87022e-09% change) - large trace change predicted (1.13314e-08%) + iteration 1199: trace = 2.449292764532568 (1.21565e-09% change) + large trace change predicted (5.15323e-09%) linmin: converged after 4 iterations. - iteration 972: trace = 2.449292779702009 (1.1331e-08% change) - linmin: converged after 19 iterations. - iteration 973: trace = 2.449292779538785 (6.6641e-09% change) - linmin: converged after 5 iterations. - iteration 974: trace = 2.449292779394868 (5.87587e-09% change) - linmin: converged after 21 iterations. - iteration 975: trace = 2.449292779154436 (9.81639e-09% change) + iteration 1200: trace = 2.449292764406347 (5.15334e-09% change) linmin: converged after 4 iterations. - iteration 976: trace = 2.449292778961834 (7.86359e-09% change) - linmin: converged after 8 iterations. - iteration 977: trace = 2.449292778861067 (4.11411e-09% change) - linmin: converged after 5 iterations. - iteration 978: trace = 2.449292778715018 (5.96292e-09% change) - linmin: converged after 3 iterations. - iteration 979: trace = 2.449292778660124 (2.24121e-09% change) - resetting CG direction... - linmin: converged after 3 iterations. - iteration 980: trace = 2.449292778642429 (7.22461e-10% change) - large trace change predicted (1.8637e-09%) - linmin: converged after 10 iterations. - iteration 981: trace = 2.449292778596778 (1.86383e-09% change) - large trace change predicted (4.79827e-09%) - linmin: converged after 16 iterations. - iteration 982: trace = 2.449292778479253 (4.79833e-09% change) - linmin: converged after 5 iterations. - iteration 983: trace = 2.449292778403906 (3.07625e-09% change) - large trace change predicted (7.38274e-09%) + iteration 1201: trace = 2.449292764281497 (5.09742e-09% change) linmin: converged after 7 iterations. - iteration 984: trace = 2.449292778223077 (7.38293e-09% change) - linmin: converged after 3 iterations. - iteration 985: trace = 2.449292778008108 (8.77676e-09% change) - linmin: converged after 4 iterations. - iteration 986: trace = 2.449292777899364 (4.43982e-09% change) + iteration 1202: trace = 2.449292764233198 (1.97193e-09% change) + large trace change predicted (5.68745e-09%) linmin: converged after 4 iterations. - iteration 987: trace = 2.44929277773461 (6.72661e-09% change) - linmin: converged after 4 iterations. - iteration 988: trace = 2.44929277748362 (1.02474e-08% change) - linmin: converged after 16 iterations. - iteration 989: trace = 2.449292777430113 (2.18461e-09% change) - large trace change predicted (9.29698e-09%) - linmin: converged after 10 iterations. - iteration 990: trace = 2.449292777202406 (9.29684e-09% change) + iteration 1203: trace = 2.449292764093897 (5.6874e-09% change) + linmin: converged after 13 iterations. + iteration 1204: trace = 2.449292763953214 (5.74382e-09% change) linmin: converged after 4 iterations. - iteration 991: trace = 2.44929277696782 (9.57773e-09% change) - linmin: converged after 18 iterations. - iteration 992: trace = 2.449292776861291 (4.34938e-09% change) - large trace change predicted (1.12244e-08%) - linmin: converged after 2 iterations. - iteration 993: trace = 2.449292776586386 (1.12238e-08% change) - linmin: converged after 6 iterations. - iteration 994: trace = 2.449292776349524 (9.67063e-09% change) - linmin: converged after 5 iterations. - iteration 995: trace = 2.449292776278055 (2.91793e-09% change) - large trace change predicted (9.96082e-09%) + iteration 1205: trace = 2.449292763870687 (3.36943e-09% change) linmin: converged after 4 iterations. - iteration 996: trace = 2.449292776034087 (9.96075e-09% change) - linmin: converged after 5 iterations. - iteration 997: trace = 2.449292775870198 (6.69129e-09% change) + iteration 1206: trace = 2.449292763819593 (2.08606e-09% change) + linmin: converged after 15 iterations. + iteration 1207: trace = 2.449292763741577 (3.18524e-09% change) linmin: converged after 3 iterations. - iteration 998: trace = 2.449292775812048 (2.37417e-09% change) - large trace change predicted (7.34534e-09%) - linmin: converged after 7 iterations. - iteration 999: trace = 2.449292775632143 (7.34516e-09% change) - linmin: converged after 7 iterations. - iteration 1000: trace = 2.449292775487076 (5.92281e-09% change) - linmin: converged after 5 iterations. - iteration 1001: trace = 2.449292775440195 (1.91405e-09% change) - large trace change predicted (5.54556e-09%) + iteration 1208: trace = 2.449292763647836 (3.82727e-09% change) + linmin: converged after 6 iterations. + iteration 1209: trace = 2.449292763620199 (1.12838e-09% change) + large trace change predicted (3.59965e-09%) linmin: converged after 5 iterations. - iteration 1002: trace = 2.449292775304374 (5.54534e-09% change) - linmin: converged after 7 iterations. - iteration 1003: trace = 2.449292775126637 (7.25665e-09% change) - linmin: converged after 4 iterations. - iteration 1004: trace = 2.449292775074531 (2.1274e-09% change) - large trace change predicted (1.21033e-08%) + iteration 1210: trace = 2.449292763532028 (3.59985e-09% change) linmin: converged after 6 iterations. - iteration 1005: trace = 2.449292774778077 (1.21037e-08% change) - linmin: converged after 8 iterations. - iteration 1006: trace = 2.449292774512282 (1.08519e-08% change) + iteration 1211: trace = 2.449292763470892 (2.49607e-09% change) linmin: converged after 18 iterations. - iteration 1007: trace = 2.449292774367768 (5.90022e-09% change) - linmin: converged after 4 iterations. - iteration 1008: trace = 2.449292774282644 (3.47545e-09% change) - large trace change predicted (9.99848e-09%) - linmin: converged after 4 iterations. - iteration 1009: trace = 2.449292774037751 (9.9985e-09% change) - linmin: converged after 11 iterations. - iteration 1010: trace = 2.449292773823038 (8.76633e-09% change) - linmin: converged after 6 iterations. - iteration 1011: trace = 2.449292773693298 (5.29707e-09% change) - linmin: converged after 3 iterations. - iteration 1012: trace = 2.449292773530047 (6.6652e-09% change) - linmin: converged after 4 iterations. - iteration 1013: trace = 2.449292773211893 (1.29896e-08% change) + iteration 1212: trace = 2.449292763439188 (1.29441e-09% change) + large trace change predicted (4.36654e-09%) + linmin: converged after 15 iterations. + iteration 1213: trace = 2.449292763332248 (4.36617e-09% change) linmin: converged after 4 iterations. - iteration 1014: trace = 2.4492927730975 (4.67047e-09% change) + iteration 1214: trace = 2.449292763233874 (4.01643e-09% change) linmin: converged after 4 iterations. - iteration 1015: trace = 2.44929277290337 (7.92598e-09% change) - linmin: converged after 7 iterations. - iteration 1016: trace = 2.449292772717558 (7.58633e-09% change) + iteration 1215: trace = 2.449292763197267 (1.49457e-09% change) + large trace change predicted (4.52499e-09%) linmin: converged after 4 iterations. - iteration 1017: trace = 2.449292772670309 (1.92908e-09% change) - large trace change predicted (4.34693e-09%) + iteration 1216: trace = 2.449292763086436 (4.52505e-09% change) linmin: converged after 4 iterations. - iteration 1018: trace = 2.449292772563841 (4.34689e-09% change) + iteration 1217: trace = 2.449292763031098 (2.25933e-09% change) linmin: converged after 5 iterations. - iteration 1019: trace = 2.449292772441809 (4.98232e-09% change) - linmin: converged after 10 iterations. - iteration 1020: trace = 2.449292772349872 (3.75362e-09% change) - linmin: converged after 14 iterations. - iteration 1021: trace = 2.449292772194014 (6.36339e-09% change) - linmin: converged after 4 iterations. - iteration 1022: trace = 2.449292771984177 (8.56727e-09% change) - linmin: converged after 7 iterations. - iteration 1023: trace = 2.449292771864493 (4.88645e-09% change) - linmin: converged after 4 iterations. - iteration 1024: trace = 2.449292771642871 (9.04842e-09% change) - linmin: converged after 4 iterations. - iteration 1025: trace = 2.44929277126778 (1.53143e-08% change) + iteration 1218: trace = 2.449292763001807 (1.19589e-09% change) + large trace change predicted (4.99698e-09%) linmin: converged after 6 iterations. - iteration 1026: trace = 2.449292771183107 (3.45706e-09% change) - large trace change predicted (9.18166e-09%) + iteration 1219: trace = 2.449292762879408 (4.99732e-09% change) + linmin: converged after 16 iterations. + iteration 1220: trace = 2.449292762815109 (2.62523e-09% change) + linmin: converged after 15 iterations. + iteration 1221: trace = 2.449292762767103 (1.95998e-09% change) linmin: converged after 4 iterations. - iteration 1027: trace = 2.449292770958227 (9.18139e-09% change) + iteration 1222: trace = 2.449292762689418 (3.17173e-09% change) linmin: converged after 4 iterations. - iteration 1028: trace = 2.449292770749206 (8.53392e-09% change) - linmin: converged after 3 iterations. - iteration 1029: trace = 2.449292770651521 (3.98833e-09% change) - large trace change predicted (9.64777e-09%) + iteration 1223: trace = 2.449292762581206 (4.4181e-09% change) + linmin: converged after 10 iterations. + iteration 1224: trace = 2.449292762558704 (9.18696e-10% change) + large trace change predicted (2.81444e-09%) linmin: converged after 4 iterations. - iteration 1030: trace = 2.449292770415231 (9.64726e-09% change) + iteration 1225: trace = 2.449292762489777 (2.81418e-09% change) + linmin: converged after 26 iterations. + iteration 1226: trace = 2.449292762433137 (2.31249e-09% change) linmin: converged after 4 iterations. - iteration 1031: trace = 2.449292770083744 (1.3534e-08% change) + iteration 1227: trace = 2.449292762416404 (6.83188e-10% change) linmin: converged after 12 iterations. - iteration 1032: trace = 2.4492927700224 (2.50457e-09% change) - large trace change predicted (8.77186e-09%) - linmin: converged after 15 iterations. - iteration 1033: trace = 2.449292769807539 (8.77235e-09% change) - linmin: converged after 4 iterations. - iteration 1034: trace = 2.449292769616413 (7.80334e-09% change) + iteration 1228: trace = 2.4492927623948 (8.82035e-10% change) + large trace change predicted (1.91792e-09%) + linmin: converged after 2 iterations. + iteration 1229: trace = 2.449292762347832 (1.91764e-09% change) + linmin: converged after 8 iterations. + iteration 1230: trace = 2.449292762331033 (6.85872e-10% change) + large trace change predicted (3.06604e-09%) + linmin: converged after 12 iterations. + iteration 1231: trace = 2.449292762255948 (3.06555e-09% change) + linmin: converged after 3 iterations. + iteration 1232: trace = 2.44929276218305 (2.97629e-09% change) + linmin: converged after 12 iterations. + iteration 1233: trace = 2.449292762096772 (3.52259e-09% change) + linmin: converged after 9 iterations. + iteration 1234: trace = 2.449292762079069 (7.22769e-10% change) + large trace change predicted (3.49151e-09%) linmin: converged after 4 iterations. - iteration 1035: trace = 2.449292769562297 (2.20943e-09% change) - large trace change predicted (6.11638e-09%) - linmin: converged after 13 iterations. - iteration 1036: trace = 2.44929276941248 (6.11675e-09% change) + iteration 1235: trace = 2.449292761993547 (3.49169e-09% change) + linmin: converged after 2 iterations. + iteration 1236: trace = 2.449292761940555 (2.16357e-09% change) linmin: converged after 6 iterations. - iteration 1037: trace = 2.449292769286351 (5.1496e-09% change) - linmin: converged after 4 iterations. - iteration 1038: trace = 2.449292769224287 (2.53398e-09% change) - linmin: converged after 19 iterations. - iteration 1039: trace = 2.44929276910249 (4.97272e-09% change) - linmin: converged after 4 iterations. - iteration 1040: trace = 2.449292768979161 (5.0353e-09% change) - large trace change predicted (1.02177e-08%) + iteration 1237: trace = 2.449292761913591 (1.1009e-09% change) + large trace change predicted (3.55258e-09%) + linmin: converged after 5 iterations. + iteration 1238: trace = 2.449292761826571 (3.55287e-09% change) linmin: converged after 7 iterations. - iteration 1041: trace = 2.449292768728897 (1.02178e-08% change) - linmin: converged after 25 iterations. - iteration 1042: trace = 2.449292768668198 (2.47823e-09% change) - large trace change predicted (1.08394e-08%) - linmin: converged after 4 iterations. - iteration 1043: trace = 2.449292768402714 (1.08392e-08% change) - linmin: converged after 4 iterations. - iteration 1044: trace = 2.449292768186227 (8.83877e-09% change) + iteration 1239: trace = 2.449292761738312 (3.60342e-09% change) + linmin: converged after 16 iterations. + iteration 1240: trace = 2.449292761718588 (8.05321e-10% change) + large trace change predicted (2.59277e-09%) + linmin: converged after 2 iterations. + iteration 1241: trace = 2.449292761655077 (2.59303e-09% change) + linmin: converged after 5 iterations. + iteration 1242: trace = 2.449292761600985 (2.20845e-09% change) linmin: converged after 4 iterations. - iteration 1045: trace = 2.449292768080908 (4.29995e-09% change) - large trace change predicted (1.20036e-08%) + iteration 1243: trace = 2.449292761586349 (5.97572e-10% change) + large trace change predicted (1.45792e-09%) linmin: converged after 4 iterations. - iteration 1046: trace = 2.449292767786905 (1.20036e-08% change) - linmin: converged after 16 iterations. - iteration 1047: trace = 2.449292767317353 (1.91709e-08% change) + iteration 1244: trace = 2.449292761550645 (1.45774e-09% change) + linmin: converged after 2 iterations. + iteration 1245: trace = 2.449292761514166 (1.48934e-09% change) linmin: converged after 4 iterations. - iteration 1048: trace = 2.4492927669618 (1.45166e-08% change) + iteration 1246: trace = 2.449292761503884 (4.19813e-10% change) + large trace change predicted (8.89645e-10%) + linmin: converged after 5 iterations. + iteration 1247: trace = 2.449292761482091 (8.89758e-10% change) linmin: converged after 4 iterations. - iteration 1049: trace = 2.449292766428851 (2.17593e-08% change) - resetting CG direction... + iteration 1248: trace = 2.449292761454313 (1.13413e-09% change) + linmin: converged after 18 iterations. + iteration 1249: trace = 2.449292761427551 (1.09261e-09% change) + linmin: converged after 6 iterations. + iteration 1250: trace = 2.449292761413838 (5.59877e-10% change) + large trace change predicted (2.08423e-09%) + linmin: converged after 14 iterations. + iteration 1251: trace = 2.449292761362784 (2.08447e-09% change) linmin: converged after 3 iterations. - iteration 1050: trace = 2.449292765968325 (1.88024e-08% change) - linmin: converged after 13 iterations. - iteration 1051: trace = 2.44929276571488 (1.03477e-08% change) + iteration 1252: trace = 2.449292761347092 (6.40652e-10% change) + large trace change predicted (1.53012e-09%) linmin: converged after 6 iterations. - iteration 1052: trace = 2.449292765371522 (1.40186e-08% change) - linmin: converged after 4 iterations. - iteration 1053: trace = 2.449292765277895 (3.82265e-09% change) - large trace change predicted (7.97857e-09%) + iteration 1253: trace = 2.449292761309612 (1.53027e-09% change) + linmin: converged after 3 iterations. + iteration 1254: trace = 2.449292761269985 (1.61789e-09% change) linmin: converged after 6 iterations. - iteration 1054: trace = 2.44929276508247 (7.97883e-09% change) - linmin: converged after 9 iterations. - iteration 1055: trace = 2.449292764915714 (6.80833e-09% change) - linmin: converged after 10 iterations. - iteration 1056: trace = 2.449292764819785 (3.91658e-09% change) - linmin: converged after 4 iterations. - iteration 1057: trace = 2.449292764727159 (3.78174e-09% change) + iteration 1255: trace = 2.449292761234285 (1.45754e-09% change) linmin: converged after 4 iterations. - iteration 1058: trace = 2.449292764583072 (5.88282e-09% change) + iteration 1256: trace = 2.449292761198882 (1.44547e-09% change) + linmin: converged after 12 iterations. + iteration 1257: trace = 2.449292761134664 (2.62186e-09% change) linmin: converged after 3 iterations. - iteration 1059: trace = 2.449292764546222 (1.50452e-09% change) - linmin: converged after 7 iterations. - iteration 1060: trace = 2.449292764473461 (2.97067e-09% change) + iteration 1258: trace = 2.44929276110782 (1.09602e-09% change) + large trace change predicted (5.39874e-09%) linmin: converged after 4 iterations. - iteration 1061: trace = 2.449292764372156 (4.13608e-09% change) - linmin: converged after 6 iterations. - iteration 1062: trace = 2.44929276434261 (1.20631e-09% change) - large trace change predicted (3.00343e-09%) - linmin: converged after 23 iterations. - iteration 1063: trace = 2.449292764269038 (3.00383e-09% change) + iteration 1259: trace = 2.44929276097558 (5.39909e-09% change) + resetting CG direction... + linmin: converged after 18 iterations. + iteration 1260: trace = 2.449292760865917 (4.47735e-09% change) linmin: converged after 4 iterations. - iteration 1064: trace = 2.449292764168866 (4.08983e-09% change) + iteration 1261: trace = 2.449292760841776 (9.85619e-10% change) + large trace change predicted (2.63223e-09%) + linmin: converged after 16 iterations. + iteration 1262: trace = 2.449292760777301 (2.63241e-09% change) linmin: converged after 6 iterations. - iteration 1065: trace = 2.449292764134953 (1.38458e-09% change) - large trace change predicted (5.27524e-09%) - linmin: converged after 4 iterations. - iteration 1066: trace = 2.449292764005743 (5.27542e-09% change) + iteration 1263: trace = 2.449292760744072 (1.35666e-09% change) linmin: converged after 6 iterations. - iteration 1067: trace = 2.449292763884682 (4.94269e-09% change) - linmin: converged after 14 iterations. - iteration 1068: trace = 2.449292763841545 (1.7612e-09% change) - large trace change predicted (6.20926e-09%) - linmin: converged after 5 iterations. - iteration 1069: trace = 2.449292763689454 (6.2096e-09% change) + iteration 1264: trace = 2.449292760718131 (1.05914e-09% change) + linmin: converged after 15 iterations. + iteration 1265: trace = 2.449292760683214 (1.42558e-09% change) + linmin: converged after 11 iterations. + iteration 1266: trace = 2.449292760652818 (1.241e-09% change) linmin: converged after 5 iterations. - iteration 1070: trace = 2.449292763603154 (3.52344e-09% change) + iteration 1267: trace = 2.449292760637147 (6.39836e-10% change) + large trace change predicted (1.80324e-09%) + linmin: converged after 18 iterations. + iteration 1268: trace = 2.449292760592975 (1.80347e-09% change) linmin: converged after 3 iterations. - iteration 1071: trace = 2.449292763560514 (1.74092e-09% change) - large trace change predicted (4.86847e-09%) - linmin: converged after 5 iterations. - iteration 1072: trace = 2.449292763441272 (4.86842e-09% change) - linmin: converged after 4 iterations. - iteration 1073: trace = 2.44929276332374 (4.79862e-09% change) - linmin: converged after 4 iterations. - iteration 1074: trace = 2.449292763290435 (1.35978e-09% change) - large trace change predicted (4.88064e-09%) - linmin: converged after 5 iterations. - iteration 1075: trace = 2.449292763170891 (4.88075e-09% change) - linmin: converged after 4 iterations. - iteration 1076: trace = 2.449292763072989 (3.99716e-09% change) + iteration 1269: trace = 2.449292760580225 (5.2055e-10% change) linmin: converged after 4 iterations. - iteration 1077: trace = 2.449292762995178 (3.17688e-09% change) + iteration 1270: trace = 2.449292760558049 (9.05388e-10% change) + linmin: converged after 3 iterations. + iteration 1271: trace = 2.449292760535888 (9.04807e-10% change) + linmin: converged after 8 iterations. + iteration 1272: trace = 2.449292760529232 (2.71734e-10% change) + large trace change predicted (7.24534e-10%) linmin: converged after 9 iterations. - iteration 1078: trace = 2.449292762971944 (9.48595e-10% change) - large trace change predicted (3.05053e-09%) - linmin: converged after 4 iterations. - iteration 1079: trace = 2.44929276289723 (3.05043e-09% change) - linmin: converged after 13 iterations. - iteration 1080: trace = 2.449292762855669 (1.69686e-09% change) + iteration 1273: trace = 2.449292760511491 (7.24346e-10% change) linmin: converged after 12 iterations. - iteration 1081: trace = 2.449292762837263 (7.51471e-10% change) - large trace change predicted (2.23762e-09%) - linmin: converged after 12 iterations. - iteration 1082: trace = 2.44929276278246 (2.23753e-09% change) - linmin: converged after 14 iterations. - iteration 1083: trace = 2.449292762713095 (2.83202e-09% change) + iteration 1274: trace = 2.449292760485713 (1.05245e-09% change) + linmin: converged after 5 iterations. + iteration 1275: trace = 2.449292760470931 (6.03537e-10% change) linmin: converged after 4 iterations. - iteration 1084: trace = 2.449292762687419 (1.04832e-09% change) - large trace change predicted (5.03792e-09%) - linmin: converged after 7 iterations. - iteration 1085: trace = 2.449292762564024 (5.03799e-09% change) - linmin: converged after 18 iterations. - iteration 1086: trace = 2.449292762456729 (4.38065e-09% change) - linmin: converged after 18 iterations. - iteration 1087: trace = 2.449292762417846 (1.58749e-09% change) - large trace change predicted (3.1791e-09%) - linmin: converged after 3 iterations. - iteration 1088: trace = 2.449292762339978 (3.17922e-09% change) + iteration 1276: trace = 2.449292760445845 (1.02422e-09% change) + linmin: converged after 16 iterations. + iteration 1277: trace = 2.449292760411387 (1.40685e-09% change) + linmin: converged after 10 iterations. + iteration 1278: trace = 2.449292760378944 (1.32458e-09% change) linmin: converged after 4 iterations. - iteration 1089: trace = 2.449292762236167 (4.23841e-09% change) - linmin: converged after 3 iterations. - iteration 1090: trace = 2.449292762214396 (8.88852e-10% change) - large trace change predicted (3.58121e-09%) + iteration 1279: trace = 2.449292760355259 (9.67034e-10% change) + large trace change predicted (2.40503e-09%) + linmin: converged after 2 iterations. + iteration 1280: trace = 2.449292760296357 (2.40483e-09% change) linmin: converged after 4 iterations. - iteration 1091: trace = 2.44929276212669 (3.5809e-09% change) - linmin: converged after 7 iterations. - iteration 1092: trace = 2.449292762069378 (2.33992e-09% change) + iteration 1281: trace = 2.449292760279027 (7.07557e-10% change) + large trace change predicted (2.41526e-09%) linmin: converged after 4 iterations. - iteration 1093: trace = 2.449292762012817 (2.30928e-09% change) + iteration 1282: trace = 2.449292760219866 (2.41544e-09% change) + linmin: converged after 14 iterations. + iteration 1283: trace = 2.449292760179976 (1.62865e-09% change) linmin: converged after 4 iterations. - iteration 1094: trace = 2.449292761982268 (1.24725e-09% change) - large trace change predicted (3.10232e-09%) + iteration 1284: trace = 2.449292760149666 (1.23748e-09% change) + linmin: converged after 30 iterations. + iteration 1285: trace = 2.44929276011504 (1.41372e-09% change) + linmin: converged after 16 iterations. + iteration 1286: trace = 2.449292760055912 (2.4141e-09% change) linmin: converged after 4 iterations. - iteration 1095: trace = 2.449292761906284 (3.10231e-09% change) - linmin: converged after 15 iterations. - iteration 1096: trace = 2.449292761891368 (6.08995e-10% change) - large trace change predicted (1.63706e-09%) - linmin: converged after 3 iterations. - iteration 1097: trace = 2.449292761851263 (1.63739e-09% change) + iteration 1287: trace = 2.449292760018553 (1.5253e-09% change) linmin: converged after 4 iterations. - iteration 1098: trace = 2.449292761807737 (1.77711e-09% change) - linmin: converged after 5 iterations. - iteration 1099: trace = 2.449292761793073 (5.98678e-10% change) - large trace change predicted (1.42501e-09%) + iteration 1288: trace = 2.449292759999303 (7.85939e-10% change) + large trace change predicted (1.67443e-09%) linmin: converged after 13 iterations. - iteration 1100: trace = 2.449292761758168 (1.4251e-09% change) + iteration 1289: trace = 2.449292759958294 (1.6743e-09% change) linmin: converged after 15 iterations. - iteration 1101: trace = 2.449292761707303 (2.07673e-09% change) - linmin: converged after 6 iterations. - iteration 1102: trace = 2.44929276169212 (6.1991e-10% change) - large trace change predicted (1.7834e-09%) - linmin: converged after 22 iterations. - iteration 1103: trace = 2.449292761648443 (1.78323e-09% change) - linmin: converged after 5 iterations. - iteration 1104: trace = 2.449292761585703 (2.56158e-09% change) - linmin: converged after 21 iterations. - iteration 1105: trace = 2.449292761543351 (1.72913e-09% change) - linmin: converged after 2 iterations. - iteration 1106: trace = 2.449292761507111 (1.47962e-09% change) - large trace change predicted (3.44618e-09%) + iteration 1290: trace = 2.449292759932612 (1.04855e-09% change) linmin: converged after 4 iterations. - iteration 1107: trace = 2.449292761422707 (3.44604e-09% change) + iteration 1291: trace = 2.449292759924472 (3.32347e-10% change) + large trace change predicted (7.03808e-10%) linmin: converged after 7 iterations. - iteration 1108: trace = 2.449292761353378 (2.83059e-09% change) - linmin: converged after 4 iterations. - iteration 1109: trace = 2.449292761327601 (1.05241e-09% change) - linmin: converged after 12 iterations. - iteration 1110: trace = 2.44929276128173 (1.87282e-09% change) - linmin: converged after 4 iterations. - iteration 1111: trace = 2.449292761220391 (2.50435e-09% change) - linmin: converged after 6 iterations. - iteration 1112: trace = 2.449292761208689 (4.77779e-10% change) - large trace change predicted (2.07531e-09%) - linmin: converged after 4 iterations. - iteration 1113: trace = 2.449292761157852 (2.0756e-09% change) - linmin: converged after 6 iterations. - iteration 1114: trace = 2.449292761110674 (1.92616e-09% change) + iteration 1292: trace = 2.449292759907237 (7.03659e-10% change) + linmin: converged after 14 iterations. + iteration 1293: trace = 2.449292759879532 (1.13118e-09% change) linmin: converged after 9 iterations. - iteration 1115: trace = 2.44929276108564 (1.02212e-09% change) - linmin: converged after 2 iterations. - iteration 1116: trace = 2.449292761053592 (1.30847e-09% change) + iteration 1294: trace = 2.449292759851524 (1.14351e-09% change) linmin: converged after 3 iterations. - iteration 1117: trace = 2.449292761030066 (9.60489e-10% change) - linmin: converged after 5 iterations. - iteration 1118: trace = 2.449292761024818 (2.14276e-10% change) - linmin: converged after 6 iterations. - iteration 1119: trace = 2.44929276101568 (3.73088e-10% change) - resetting CG direction... - linmin: converged after 4 iterations. - iteration 1120: trace = 2.449292761007742 (3.24079e-10% change) - linmin: converged after 10 iterations. - iteration 1121: trace = 2.44929276100358 (1.69945e-10% change) - large trace change predicted (7.80825e-10%) - linmin: converged after 3 iterations. - iteration 1122: trace = 2.449292760984458 (7.80717e-10% change) - linmin: converged after 5 iterations. - iteration 1123: trace = 2.44929276096336 (8.61383e-10% change) - linmin: converged after 8 iterations. - iteration 1124: trace = 2.449292760939866 (9.5922e-10% change) - linmin: converged after 18 iterations. - iteration 1125: trace = 2.449292760897241 (1.74028e-09% change) - linmin: converged after 4 iterations. - iteration 1126: trace = 2.449292760848863 (1.97519e-09% change) + iteration 1295: trace = 2.449292759835302 (6.62301e-10% change) + large trace change predicted (2.09748e-09%) + linmin: converged after 25 iterations. + iteration 1296: trace = 2.449292759783927 (2.09756e-09% change) linmin: converged after 5 iterations. - iteration 1127: trace = 2.449292760837915 (4.4701e-10% change) - large trace change predicted (2.25817e-09%) - linmin: converged after 2 iterations. - iteration 1128: trace = 2.44929276078261 (2.258e-09% change) + iteration 1297: trace = 2.449292759737725 (1.88631e-09% change) linmin: converged after 8 iterations. - iteration 1129: trace = 2.449292760754957 (1.12898e-09% change) - linmin: converged after 6 iterations. - iteration 1130: trace = 2.449292760730642 (9.92763e-10% change) - large trace change predicted (2.03515e-09%) + iteration 1298: trace = 2.449292759717716 (8.16943e-10% change) linmin: converged after 7 iterations. - iteration 1131: trace = 2.449292760680793 (2.03524e-09% change) + iteration 1299: trace = 2.449292759680467 (1.52082e-09% change) + linmin: converged after 7 iterations. + iteration 1300: trace = 2.449292759632911 (1.94163e-09% change) + linmin: converged after 15 iterations. + iteration 1301: trace = 2.449292759614193 (7.64217e-10% change) + large trace change predicted (1.58843e-09%) + linmin: converged after 16 iterations. + iteration 1302: trace = 2.449292759575287 (1.58843e-09% change) + linmin: converged after 3 iterations. + iteration 1303: trace = 2.449292759545279 (1.22519e-09% change) linmin: converged after 5 iterations. - iteration 1132: trace = 2.449292760631572 (2.00959e-09% change) + iteration 1304: trace = 2.44929275953303 (5.00098e-10% change) + large trace change predicted (2.40953e-09%) + linmin: converged after 4 iterations. + iteration 1305: trace = 2.449292759474022 (2.4092e-09% change) + linmin: converged after 11 iterations. + iteration 1306: trace = 2.449292759434343 (1.62e-09% change) linmin: converged after 12 iterations. - iteration 1133: trace = 2.449292760604489 (1.10574e-09% change) - large trace change predicted (2.32198e-09%) + iteration 1307: trace = 2.449292759419816 (5.93112e-10% change) + large trace change predicted (1.21926e-09%) + linmin: converged after 18 iterations. + iteration 1308: trace = 2.449292759389947 (1.21949e-09% change) linmin: converged after 4 iterations. - iteration 1134: trace = 2.44929276054762 (2.32188e-09% change) - linmin: converged after 21 iterations. - iteration 1135: trace = 2.4492927605003 (1.93198e-09% change) + iteration 1309: trace = 2.449292759363242 (1.09031e-09% change) linmin: converged after 4 iterations. - iteration 1136: trace = 2.449292760486126 (5.78697e-10% change) - large trace change predicted (1.34256e-09%) - linmin: converged after 7 iterations. - iteration 1137: trace = 2.449292760453242 (1.34259e-09% change) + iteration 1310: trace = 2.449292759353184 (4.10674e-10% change) + large trace change predicted (1.6493e-09%) + linmin: converged after 15 iterations. + iteration 1311: trace = 2.449292759312794 (1.64904e-09% change) + linmin: converged after 5 iterations. + iteration 1312: trace = 2.4492927592977 (6.16266e-10% change) + linmin: converged after 5 iterations. + iteration 1313: trace = 2.449292759274694 (9.39257e-10% change) linmin: converged after 4 iterations. - iteration 1138: trace = 2.449292760418562 (1.41593e-09% change) + iteration 1314: trace = 2.449292759239905 (1.42037e-09% change) + linmin: converged after 3 iterations. + iteration 1315: trace = 2.44929275921049 (1.20096e-09% change) + linmin: converged after 12 iterations. + iteration 1316: trace = 2.449292759187027 (9.57969e-10% change) + linmin: converged after 18 iterations. + iteration 1317: trace = 2.449292759141424 (1.86189e-09% change) + linmin: converged after 15 iterations. + iteration 1318: trace = 2.449292759088117 (2.17643e-09% change) linmin: converged after 4 iterations. - iteration 1139: trace = 2.449292760409395 (3.74267e-10% change) - large trace change predicted (1.20718e-09%) + iteration 1319: trace = 2.449292759062221 (1.05726e-09% change) + linmin: converged after 3 iterations. + iteration 1320: trace = 2.449292759041177 (8.59189e-10% change) + large trace change predicted (1.84089e-09%) + linmin: converged after 15 iterations. + iteration 1321: trace = 2.449292758996093 (1.84069e-09% change) + linmin: converged after 15 iterations. + iteration 1322: trace = 2.449292758960253 (1.46331e-09% change) + linmin: converged after 3 iterations. + iteration 1323: trace = 2.449292758935131 (1.02565e-09% change) + linmin: converged after 19 iterations. + iteration 1324: trace = 2.449292758920083 (6.1438e-10% change) + large trace change predicted (1.93293e-09%) linmin: converged after 7 iterations. - iteration 1140: trace = 2.449292760379826 (1.20722e-09% change) + iteration 1325: trace = 2.449292758872747 (1.93267e-09% change) linmin: converged after 5 iterations. - iteration 1141: trace = 2.449292760356247 (9.62719e-10% change) - linmin: converged after 16 iterations. - iteration 1142: trace = 2.449292760344707 (4.71124e-10% change) - large trace change predicted (1.27546e-09%) + iteration 1326: trace = 2.449292758858455 (5.83484e-10% change) + linmin: converged after 3 iterations. + iteration 1327: trace = 2.449292758840157 (7.47101e-10% change) linmin: converged after 3 iterations. - iteration 1143: trace = 2.449292760313462 (1.2757e-09% change) + iteration 1328: trace = 2.449292758828238 (4.86627e-10% change) linmin: converged after 4 iterations. - iteration 1144: trace = 2.449292760266365 (1.92286e-09% change) + iteration 1329: trace = 2.449292758817337 (4.4507e-10% change) + resetting CG direction... + linmin: converged after 3 iterations. + iteration 1330: trace = 2.449292758809186 (3.32782e-10% change) linmin: converged after 9 iterations. - iteration 1145: trace = 2.449292760255133 (4.58577e-10% change) - large trace change predicted (1.91525e-09%) - linmin: converged after 6 iterations. - iteration 1146: trace = 2.449292760208221 (1.91534e-09% change) + iteration 1331: trace = 2.449292758797701 (4.68894e-10% change) + linmin: converged after 5 iterations. + iteration 1332: trace = 2.449292758785872 (4.82982e-10% change) + linmin: converged after 3 iterations. + iteration 1333: trace = 2.449292758772979 (5.2637e-10% change) + large trace change predicted (1.82032e-09%) linmin: converged after 4 iterations. - iteration 1147: trace = 2.449292760169658 (1.57445e-09% change) - linmin: converged after 19 iterations. - iteration 1148: trace = 2.449292760156511 (5.3676e-10% change) - large trace change predicted (1.9284e-09%) - linmin: converged after 19 iterations. - iteration 1149: trace = 2.449292760109271 (1.92874e-09% change) + iteration 1334: trace = 2.449292758728398 (1.82019e-09% change) linmin: converged after 4 iterations. - iteration 1150: trace = 2.449292760072884 (1.48561e-09% change) + iteration 1335: trace = 2.449292758718077 (4.2139e-10% change) + large trace change predicted (1.17707e-09%) + linmin: converged after 7 iterations. + iteration 1336: trace = 2.449292758689243 (1.17721e-09% change) + linmin: converged after 5 iterations. + iteration 1337: trace = 2.449292758658426 (1.25822e-09% change) + linmin: converged after 10 iterations. + iteration 1338: trace = 2.449292758648702 (3.96985e-10% change) + large trace change predicted (1.26183e-09%) linmin: converged after 16 iterations. - iteration 1151: trace = 2.449292760044754 (1.14851e-09% change) - linmin: converged after 4 iterations. - iteration 1152: trace = 2.449292760010435 (1.40117e-09% change) - large trace change predicted (3.03388e-09%) - linmin: converged after 2 iterations. - iteration 1153: trace = 2.44929275993613 (3.03373e-09% change) - linmin: converged after 8 iterations. - iteration 1154: trace = 2.449292759906359 (1.21549e-09% change) - linmin: converged after 15 iterations. - iteration 1155: trace = 2.449292759858777 (1.94266e-09% change) + iteration 1339: trace = 2.449292758617798 (1.26178e-09% change) + linmin: converged after 9 iterations. + iteration 1340: trace = 2.449292758585365 (1.32418e-09% change) linmin: converged after 4 iterations. - iteration 1156: trace = 2.449292759822857 (1.46657e-09% change) + iteration 1341: trace = 2.449292758572629 (5.19952e-10% change) + large trace change predicted (1.32093e-09%) linmin: converged after 4 iterations. - iteration 1157: trace = 2.449292759797514 (1.03468e-09% change) + iteration 1342: trace = 2.449292758540275 (1.32098e-09% change) + linmin: converged after 2 iterations. + iteration 1343: trace = 2.449292758507083 (1.35517e-09% change) linmin: converged after 3 iterations. - iteration 1158: trace = 2.449292759789126 (3.42501e-10% change) - large trace change predicted (1.0153e-09%) - linmin: converged after 20 iterations. - iteration 1159: trace = 2.449292759764242 (1.01595e-09% change) - linmin: converged after 23 iterations. - iteration 1160: trace = 2.449292759728197 (1.47165e-09% change) - linmin: converged after 7 iterations. - iteration 1161: trace = 2.449292759715638 (5.12754e-10% change) - large trace change predicted (1.54497e-09%) - linmin: converged after 8 iterations. - iteration 1162: trace = 2.4492927596778 (1.54488e-09% change) + iteration 1344: trace = 2.449292758496453 (4.33991e-10% change) + large trace change predicted (1.17633e-09%) + linmin: converged after 3 iterations. + iteration 1345: trace = 2.449292758467644 (1.17623e-09% change) + linmin: converged after 14 iterations. + iteration 1346: trace = 2.449292758443366 (9.91221e-10% change) + linmin: converged after 3 iterations. + iteration 1347: trace = 2.449292758429109 (5.8207e-10% change) + linmin: converged after 5 iterations. + iteration 1348: trace = 2.449292758420048 (3.69933e-10% change) + large trace change predicted (1.01602e-09%) linmin: converged after 4 iterations. - iteration 1163: trace = 2.449292759626884 (2.07877e-09% change) - linmin: converged after 6 iterations. - iteration 1164: trace = 2.449292759608432 (7.53393e-10% change) - large trace change predicted (2.37225e-09%) - linmin: converged after 10 iterations. - iteration 1165: trace = 2.449292759550325 (2.37239e-09% change) + iteration 1349: trace = 2.449292758395154 (1.01639e-09% change) linmin: converged after 4 iterations. - iteration 1166: trace = 2.449292759509685 (1.65925e-09% change) + iteration 1350: trace = 2.44929275837592 (7.85286e-10% change) + linmin: converged after 9 iterations. + iteration 1351: trace = 2.449292758368917 (2.85931e-10% change) + large trace change predicted (7.59067e-10%) + linmin: converged after 18 iterations. + iteration 1352: trace = 2.449292758350331 (7.58814e-10% change) linmin: converged after 4 iterations. - iteration 1167: trace = 2.449292759482831 (1.09638e-09% change) - linmin: converged after 12 iterations. - iteration 1168: trace = 2.449292759453837 (1.18378e-09% change) + iteration 1353: trace = 2.449292758325434 (1.01651e-09% change) + linmin: converged after 6 iterations. + iteration 1354: trace = 2.449292758318342 (2.89557e-10% change) + large trace change predicted (1.29271e-09%) + linmin: converged after 5 iterations. + iteration 1355: trace = 2.449292758286673 (1.29296e-09% change) linmin: converged after 4 iterations. - iteration 1169: trace = 2.449292759399416 (2.22188e-09% change) + iteration 1356: trace = 2.44929275826878 (7.30529e-10% change) linmin: converged after 10 iterations. - iteration 1170: trace = 2.449292759378642 (8.48183e-10% change) - large trace change predicted (2.1927e-09%) + iteration 1357: trace = 2.449292758261094 (3.13835e-10% change) + large trace change predicted (7.32187e-10%) linmin: converged after 4 iterations. - iteration 1171: trace = 2.449292759324932 (2.19287e-09% change) - linmin: converged after 15 iterations. - iteration 1172: trace = 2.449292759281017 (1.79297e-09% change) - linmin: converged after 7 iterations. - iteration 1173: trace = 2.449292759251759 (1.19453e-09% change) - linmin: converged after 13 iterations. - iteration 1174: trace = 2.449292759226954 (1.01278e-09% change) - linmin: converged after 5 iterations. - iteration 1175: trace = 2.449292759191787 (1.43578e-09% change) + iteration 1358: trace = 2.449292758243157 (7.32324e-10% change) linmin: converged after 3 iterations. - iteration 1176: trace = 2.449292759176609 (6.19674e-10% change) - linmin: converged after 3 iterations. - iteration 1177: trace = 2.449292759167176 (3.85146e-10% change) - large trace change predicted (1.32493e-09%) - linmin: converged after 14 iterations. - iteration 1178: trace = 2.449292759134728 (1.3248e-09% change) + iteration 1359: trace = 2.449292758212184 (1.26455e-09% change) + linmin: converged after 12 iterations. + iteration 1360: trace = 2.449292758198759 (5.48146e-10% change) linmin: converged after 4 iterations. - iteration 1179: trace = 2.449292759103133 (1.28993e-09% change) + iteration 1361: trace = 2.449292758187757 (4.49185e-10% change) + large trace change predicted (9.90187e-10%) linmin: converged after 3 iterations. - iteration 1180: trace = 2.44929275909218 (4.47227e-10% change) - large trace change predicted (1.78244e-09%) - linmin: converged after 3 iterations. - iteration 1181: trace = 2.449292759048531 (1.78209e-09% change) + iteration 1362: trace = 2.449292758163503 (9.90242e-10% change) linmin: converged after 4 iterations. - iteration 1182: trace = 2.449292759012669 (1.4642e-09% change) + iteration 1363: trace = 2.449292758142585 (8.5404e-10% change) linmin: converged after 4 iterations. - iteration 1183: trace = 2.449292758991429 (8.67185e-10% change) - large trace change predicted (1.92437e-09%) - linmin: converged after 15 iterations. - iteration 1184: trace = 2.449292758944294 (1.9244e-09% change) - linmin: converged after 16 iterations. - iteration 1185: trace = 2.449292758888086 (2.2949e-09% change) - linmin: converged after 16 iterations. - iteration 1186: trace = 2.449292758862216 (1.05622e-09% change) - large trace change predicted (3.36071e-09%) + iteration 1364: trace = 2.449292758134859 (3.15449e-10% change) + large trace change predicted (7.88018e-10%) linmin: converged after 4 iterations. - iteration 1187: trace = 2.4492927587799 (3.36079e-09% change) - linmin: converged after 2 iterations. - iteration 1188: trace = 2.449292758728909 (2.08187e-09% change) + iteration 1365: trace = 2.449292758115549 (7.88368e-10% change) linmin: converged after 4 iterations. - iteration 1189: trace = 2.449292758646394 (3.36891e-09% change) - resetting CG direction... + iteration 1366: trace = 2.449292758106674 (3.62373e-10% change) + linmin: converged after 9 iterations. + iteration 1367: trace = 2.44929275810216 (1.84287e-10% change) linmin: converged after 4 iterations. - iteration 1190: trace = 2.449292758570232 (3.10956e-09% change) - linmin: converged after 5 iterations. - iteration 1191: trace = 2.449292758528312 (1.71154e-09% change) - linmin: converged after 6 iterations. - iteration 1192: trace = 2.449292758463964 (2.62719e-09% change) + iteration 1368: trace = 2.449292758093231 (3.64567e-10% change) linmin: converged after 6 iterations. - iteration 1193: trace = 2.449292758444641 (7.8893e-10% change) - large trace change predicted (1.66761e-09%) - linmin: converged after 18 iterations. - iteration 1194: trace = 2.449292758403796 (1.66759e-09% change) + iteration 1369: trace = 2.44929275808417 (3.69915e-10% change) linmin: converged after 4 iterations. - iteration 1195: trace = 2.449292758371266 (1.32814e-09% change) - linmin: converged after 7 iterations. - iteration 1196: trace = 2.449292758357194 (5.74545e-10% change) + iteration 1370: trace = 2.449292758080637 (1.44253e-10% change) + large trace change predicted (8.78793e-10%) linmin: converged after 4 iterations. - iteration 1197: trace = 2.449292758334138 (9.41324e-10% change) + iteration 1371: trace = 2.449292758059117 (8.78626e-10% change) linmin: converged after 3 iterations. - iteration 1198: trace = 2.449292758306159 (1.14236e-09% change) - linmin: converged after 11 iterations. - iteration 1199: trace = 2.449292758299229 (2.82921e-10% change) - large trace change predicted (8.66803e-10%) - linmin: converged after 9 iterations. - iteration 1200: trace = 2.449292758277997 (8.66859e-10% change) - linmin: converged after 13 iterations. - iteration 1201: trace = 2.449292758256874 (8.62398e-10% change) + iteration 1372: trace = 2.449292758047214 (4.85974e-10% change) linmin: converged after 6 iterations. - iteration 1202: trace = 2.44929275825095 (2.41872e-10% change) - linmin: converged after 6 iterations. - iteration 1203: trace = 2.44929275823966 (4.60953e-10% change) - linmin: converged after 19 iterations. - iteration 1204: trace = 2.449292758217747 (8.94672e-10% change) - linmin: converged after 10 iterations. - iteration 1205: trace = 2.449292758210747 (2.85804e-10% change) - large trace change predicted (1.131e-09%) + iteration 1373: trace = 2.449292758038244 (3.66216e-10% change) + large trace change predicted (7.75669e-10%) linmin: converged after 4 iterations. - iteration 1206: trace = 2.449292758183054 (1.13063e-09% change) + iteration 1374: trace = 2.449292758019244 (7.75767e-10% change) + linmin: converged after 12 iterations. + iteration 1375: trace = 2.449292757996612 (9.24027e-10% change) + linmin: converged after 9 iterations. + iteration 1376: trace = 2.449292757991928 (1.91231e-10% change) + large trace change predicted (7.3803e-10%) linmin: converged after 4 iterations. - iteration 1207: trace = 2.449292758157191 (1.05593e-09% change) - linmin: converged after 8 iterations. - iteration 1208: trace = 2.449292758128336 (1.17812e-09% change) + iteration 1377: trace = 2.449292757973849 (7.38108e-10% change) linmin: converged after 4 iterations. - iteration 1209: trace = 2.449292758116175 (4.96526e-10% change) - large trace change predicted (1.09776e-09%) + iteration 1378: trace = 2.449292757957259 (6.7735e-10% change) linmin: converged after 6 iterations. - iteration 1210: trace = 2.449292758089271 (1.09841e-09% change) + iteration 1379: trace = 2.449292757951101 (2.51427e-10% change) + large trace change predicted (9.57913e-10%) linmin: converged after 4 iterations. - iteration 1211: trace = 2.44929275807355 (6.41867e-10% change) + iteration 1380: trace = 2.449292757927639 (9.57914e-10% change) linmin: converged after 4 iterations. - iteration 1212: trace = 2.449292758064461 (3.71076e-10% change) - linmin: converged after 6 iterations. - iteration 1213: trace = 2.449292758046835 (7.19632e-10% change) + iteration 1381: trace = 2.449292757910268 (7.09225e-10% change) linmin: converged after 4 iterations. - iteration 1214: trace = 2.44929275802047 (1.07644e-09% change) + iteration 1382: trace = 2.449292757902544 (3.1534e-10% change) linmin: converged after 3 iterations. - iteration 1215: trace = 2.44929275801478 (2.32335e-10% change) - large trace change predicted (8.12678e-10%) - linmin: converged after 19 iterations. - iteration 1216: trace = 2.449292757994878 (8.12537e-10% change) - linmin: converged after 4 iterations. - iteration 1217: trace = 2.449292757980141 (6.01706e-10% change) + iteration 1383: trace = 2.449292757896703 (2.38463e-10% change) + linmin: converged after 2 iterations. + iteration 1384: trace = 2.449292757885339 (4.63999e-10% change) + linmin: converged after 7 iterations. + iteration 1385: trace = 2.449292757876903 (3.44405e-10% change) + linmin: converged after 2 iterations. + iteration 1386: trace = 2.449292757874337 (1.04763e-10% change) linmin: converged after 3 iterations. - iteration 1218: trace = 2.449292757974836 (2.16597e-10% change) - large trace change predicted (5.59722e-10%) - linmin: converged after 18 iterations. - iteration 1219: trace = 2.449292757961126 (5.5975e-10% change) - linmin: converged after 5 iterations. - iteration 1220: trace = 2.449292757950947 (4.15588e-10% change) + iteration 1387: trace = 2.449292757869381 (2.02346e-10% change) linmin: converged after 4 iterations. - iteration 1221: trace = 2.449292757947216 (1.52303e-10% change) - large trace change predicted (4.28529e-10%) + iteration 1388: trace = 2.449292757862481 (2.81706e-10% change) + linmin: converged after 20 iterations. + iteration 1389: trace = 2.449292757854807 (3.13327e-10% change) linmin: converged after 6 iterations. - iteration 1222: trace = 2.449292757936721 (4.28498e-10% change) - linmin: converged after 7 iterations. - iteration 1223: trace = 2.449292757921767 (6.10554e-10% change) - linmin: converged after 3 iterations. - iteration 1224: trace = 2.449292757912874 (3.63098e-10% change) - large trace change predicted (9.90502e-10%) - linmin: converged after 9 iterations. - iteration 1225: trace = 2.449292757888617 (9.90333e-10% change) - linmin: converged after 15 iterations. - iteration 1226: trace = 2.44929275786038 (1.15288e-09% change) + iteration 1390: trace = 2.449292757852202 (1.06358e-10% change) + large trace change predicted (5.42124e-10%) linmin: converged after 4 iterations. - iteration 1227: trace = 2.449292757845739 (5.97753e-10% change) + iteration 1391: trace = 2.449292757838927 (5.41982e-10% change) linmin: converged after 5 iterations. - iteration 1228: trace = 2.449292757838752 (2.85278e-10% change) - large trace change predicted (7.35967e-10%) - linmin: converged after 4 iterations. - iteration 1229: trace = 2.449292757820726 (7.35969e-10% change) - linmin: converged after 4 iterations. - iteration 1230: trace = 2.449292757806199 (5.93094e-10% change) + iteration 1392: trace = 2.449292757834217 (1.92301e-10% change) linmin: converged after 3 iterations. - iteration 1231: trace = 2.449292757800715 (2.23904e-10% change) - large trace change predicted (5.02954e-10%) - linmin: converged after 4 iterations. - iteration 1232: trace = 2.449292757788395 (5.03035e-10% change) - linmin: converged after 13 iterations. - iteration 1233: trace = 2.449292757772279 (6.57986e-10% change) - linmin: converged after 7 iterations. - iteration 1234: trace = 2.449292757767738 (1.85375e-10% change) - large trace change predicted (5.15055e-10%) - linmin: converged after 6 iterations. - iteration 1235: trace = 2.449292757755121 (5.15129e-10% change) + iteration 1393: trace = 2.449292757826217 (3.26654e-10% change) + linmin: converged after 12 iterations. + iteration 1394: trace = 2.44929275781636 (4.02425e-10% change) linmin: converged after 7 iterations. - iteration 1236: trace = 2.449292757747561 (3.0865e-10% change) - linmin: converged after 6 iterations. - iteration 1237: trace = 2.449292757741099 (2.63865e-10% change) + iteration 1395: trace = 2.449292757810658 (2.32806e-10% change) + linmin: converged after 9 iterations. + iteration 1396: trace = 2.449292757800155 (4.28806e-10% change) linmin: converged after 3 iterations. - iteration 1238: trace = 2.449292757736615 (1.83036e-10% change) - linmin: converged after 6 iterations. - iteration 1239: trace = 2.449292757727691 (3.64385e-10% change) + iteration 1397: trace = 2.449292757781919 (7.44563e-10% change) linmin: converged after 4 iterations. - iteration 1240: trace = 2.449292757725059 (1.07446e-10% change) - large trace change predicted (3.94538e-10%) - linmin: converged after 6 iterations. - iteration 1241: trace = 2.449292757715408 (3.94012e-10% change) + iteration 1398: trace = 2.449292757776047 (2.3975e-10% change) + large trace change predicted (1.09177e-09%) linmin: converged after 4 iterations. - iteration 1242: trace = 2.449292757707109 (3.38856e-10% change) - linmin: converged after 2 iterations. - iteration 1243: trace = 2.449292757703049 (1.65738e-10% change) - large trace change predicted (5.3833e-10%) - linmin: converged after 16 iterations. - iteration 1244: trace = 2.449292757689868 (5.38156e-10% change) + iteration 1399: trace = 2.449292757749305 (1.09181e-09% change) + resetting CG direction... + linmin: converged after 8 iterations. + iteration 1400: trace = 2.449292757725035 (9.90895e-10% change) linmin: converged after 3 iterations. - iteration 1245: trace = 2.449292757674787 (6.1574e-10% change) - linmin: converged after 6 iterations. - iteration 1246: trace = 2.44929275766581 (3.66525e-10% change) - linmin: converged after 4 iterations. - iteration 1247: trace = 2.449292757655007 (4.41044e-10% change) - linmin: converged after 6 iterations. - iteration 1248: trace = 2.449292757641816 (5.38591e-10% change) - linmin: converged after 6 iterations. - iteration 1249: trace = 2.449292757632077 (3.9762e-10% change) + iteration 1401: trace = 2.449292757719522 (2.25064e-10% change) + large trace change predicted (7.00492e-10%) linmin: converged after 4 iterations. - iteration 1250: trace = 2.449292757628572 (1.43092e-10% change) - large trace change predicted (5.66461e-10%) + iteration 1402: trace = 2.449292757702362 (7.00631e-10% change) + linmin: converged after 9 iterations. + iteration 1403: trace = 2.449292757693614 (3.57169e-10% change) + linmin: converged after 5 iterations. + iteration 1404: trace = 2.449292757688097 (2.25245e-10% change) linmin: converged after 4 iterations. - iteration 1251: trace = 2.449292757614693 (5.66676e-10% change) + iteration 1405: trace = 2.449292757679321 (3.58311e-10% change) + linmin: converged after 3 iterations. + iteration 1406: trace = 2.44929275767239 (2.82994e-10% change) linmin: converged after 4 iterations. - iteration 1252: trace = 2.449292757604955 (3.97547e-10% change) + iteration 1407: trace = 2.449292757668427 (1.61768e-10% change) + large trace change predicted (4.27759e-10%) linmin: converged after 4 iterations. - iteration 1253: trace = 2.44929275760057 (1.79065e-10% change) - large trace change predicted (3.60655e-10%) + iteration 1408: trace = 2.449292757657954 (4.27609e-10% change) linmin: converged after 4 iterations. - iteration 1254: trace = 2.449292757591733 (3.60795e-10% change) - linmin: converged after 5 iterations. - iteration 1255: trace = 2.449292757582814 (3.64131e-10% change) - linmin: converged after 3 iterations. - iteration 1256: trace = 2.449292757579361 (1.40989e-10% change) - linmin: converged after 3 iterations. - iteration 1257: trace = 2.449292757577576 (7.28517e-11% change) -Finished solving for bands 1 to 10 after 1257 iterations. + iteration 1409: trace = 2.449292757655999 (7.98141e-11% change) +Finished solving for bands 1 to 10 after 1409 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: 39.36967134475708 +elapsed time for k point: 108.14507985115051 solve_kpoint (0.5,0.166667,0): Solving for bands 1 to 10... linmin: converged after 4 iterations. - iteration 1: trace = 2.515861294823707 (3.43116% change) + iteration 1: trace = 2.515861450988989 (3.43116% change) linmin: converged after 4 iterations. - iteration 2: trace = 2.507854223892372 (0.318771% change) + iteration 2: trace = 2.50785439856237 (0.31877% change) linmin: converged after 4 iterations. - iteration 3: trace = 2.499310860216668 (0.341246% change) + iteration 3: trace = 2.499311043495842 (0.341245% change) linmin: converged after 4 iterations. - iteration 4: trace = 2.498172950204133 (0.0455393% change) + iteration 4: trace = 2.49817313585904 (0.0455392% change) large trace change predicted (0.100542%) linmin: converged after 4 iterations. - iteration 5: trace = 2.495678864135456 (0.0998863% change) + iteration 5: trace = 2.495679048901286 (0.0998863% change) linmin: converged after 4 iterations. - iteration 6: trace = 2.495170593955623 (0.0203681% change) - linmin: converged after 6 iterations. - iteration 7: trace = 2.494660906209061 (0.0204291% change) - linmin: converged after 3 iterations. - iteration 8: trace = 2.494390041883609 (0.0108584% change) - linmin: converged after 3 iterations. - iteration 9: trace = 2.494240374217128 (0.00600035% change) + iteration 6: trace = 2.49517077610686 (0.0203682% change) linmin: converged after 4 iterations. - iteration 10: trace = 2.494053174731029 (0.00750555% change) + iteration 7: trace = 2.494661085968585 (0.0204292% change) + linmin: converged after 4 iterations. + iteration 8: trace = 2.494390216871281 (0.0108585% change) + linmin: converged after 3 iterations. + iteration 9: trace = 2.494240547517562 (0.00600042% change) + linmin: converged after 5 iterations. + iteration 10: trace = 2.494053342460849 (0.00750577% change) linmin: converged after 4 iterations. - iteration 11: trace = 2.494006825486339 (0.00185841% change) - large trace change predicted (0.00615564%) + iteration 11: trace = 2.4940069917695 (0.00185847% change) + large trace change predicted (0.00615595%) linmin: converged after 4 iterations. - iteration 12: trace = 2.4938539337283 (0.00613055% change) + iteration 12: trace = 2.493854092495275 (0.00613086% change) linmin: converged after 3 iterations. - iteration 13: trace = 2.493809367813176 (0.00178705% change) - large trace change predicted (0.00364813%) + iteration 13: trace = 2.493809524276374 (0.00178714% change) + large trace change predicted (0.00364834%) linmin: converged after 4 iterations. - iteration 14: trace = 2.493718828130056 (0.00363064% change) - linmin: converged after 5 iterations. - iteration 15: trace = 2.493653590997041 (0.00261609% change) + iteration 14: trace = 2.493718979369462 (0.00363085% change) + linmin: converged after 3 iterations. + iteration 15: trace = 2.493653738777452 (0.00261623% change) linmin: converged after 4 iterations. - iteration 16: trace = 2.493597478449508 (0.00225024% change) - large trace change predicted (0.00494521%) - linmin: converged after 5 iterations. - iteration 17: trace = 2.493474380662515 (0.00493668% change) + iteration 16: trace = 2.493597622256042 (0.0022504% change) + large trace change predicted (0.00494549%) linmin: converged after 4 iterations. - iteration 18: trace = 2.493424211282409 (0.00201205% change) - large trace change predicted (0.00492523%) + iteration 17: trace = 2.49347451731449 (0.00493696% change) linmin: converged after 4 iterations. - iteration 19: trace = 2.493301803556187 (0.00490934% change) - linmin: converged after 5 iterations. - iteration 20: trace = 2.493243906051005 (0.00232215% change) - large trace change predicted (0.00472084%) + iteration 18: trace = 2.493424344304221 (0.00201219% change) + large trace change predicted (0.00492555%) linmin: converged after 4 iterations. - iteration 21: trace = 2.49312657023029 (0.00470626% change) + iteration 19: trace = 2.493301928805491 (0.00490965% change) linmin: converged after 4 iterations. - iteration 22: trace = 2.493032187772082 (0.00378578% change) + iteration 20: trace = 2.493244028121851 (0.00232228% change) + large trace change predicted (0.00472108%) linmin: converged after 4 iterations. - iteration 23: trace = 2.492931282130852 (0.00404759% change) + iteration 21: trace = 2.493126686329834 (0.0047065% change) linmin: converged after 4 iterations. - iteration 24: trace = 2.492785228344313 (0.00585889% change) + iteration 22: trace = 2.493032296779981 (0.00378606% change) linmin: converged after 4 iterations. - iteration 25: trace = 2.492694607675644 (0.00363538% change) - linmin: converged after 3 iterations. - iteration 26: trace = 2.49255659821512 (0.00553671% change) - linmin: converged after 6 iterations. - iteration 27: trace = 2.492504536387946 (0.00208871% change) - large trace change predicted (0.00584589%) + iteration 23: trace = 2.492931386627687 (0.00404777% change) linmin: converged after 5 iterations. - iteration 28: trace = 2.492359092471954 (0.00583542% change) + iteration 24: trace = 2.492785321109467 (0.00585936% change) linmin: converged after 4 iterations. - iteration 29: trace = 2.492292349087578 (0.00267796% change) + iteration 25: trace = 2.492694696567195 (0.00363554% change) linmin: converged after 4 iterations. - iteration 30: trace = 2.492204279010497 (0.00353376% change) + iteration 26: trace = 2.492556679598664 (0.00553701% change) + linmin: converged after 5 iterations. + iteration 27: trace = 2.492504613764869 (0.00208887% change) + large trace change predicted (0.00584615%) + linmin: converged after 3 iterations. + iteration 28: trace = 2.492359163637887 (0.00583567% change) linmin: converged after 4 iterations. - iteration 31: trace = 2.492122077924615 (0.00329838% change) + iteration 29: trace = 2.49229241464783 (0.00267818% change) linmin: converged after 3 iterations. - iteration 32: trace = 2.492088499467698 (0.00134739% change) - large trace change predicted (0.00374959%) + iteration 30: trace = 2.492204342391463 (0.00353385% change) linmin: converged after 6 iterations. - iteration 33: trace = 2.491995155120871 (0.0037457% change) + iteration 31: trace = 2.492122136712086 (0.00329857% change) linmin: converged after 3 iterations. - iteration 34: trace = 2.491973065110292 (0.000886443% change) - large trace change predicted (0.00384145%) - linmin: converged after 7 iterations. - iteration 35: trace = 2.49187743560066 (0.00383758% change) - linmin: converged after 17 iterations. - iteration 36: trace = 2.491799717427675 (0.00311891% change) - linmin: converged after 4 iterations. - iteration 37: trace = 2.491716656516858 (0.00333343% change) - large trace change predicted (0.00753776%) + iteration 32: trace = 2.49208855704547 (0.00134744% change) + large trace change predicted (0.00374978%) linmin: converged after 4 iterations. - iteration 38: trace = 2.491529155564599 (0.00752525% change) + iteration 33: trace = 2.491995207970596 (0.00374589% change) linmin: converged after 3 iterations. - iteration 39: trace = 2.491464441983394 (0.00259738% change) - large trace change predicted (0.00785127%) + iteration 34: trace = 2.491973115617628 (0.000886537% change) + large trace change predicted (0.00384168%) linmin: converged after 4 iterations. - iteration 40: trace = 2.491269246541563 (0.00783487% change) - linmin: converged after 3 iterations. - iteration 41: trace = 2.491195511873895 (0.00295977% change) + iteration 35: trace = 2.491877480506411 (0.0038378% change) linmin: converged after 4 iterations. - iteration 42: trace = 2.491085264280376 (0.00442559% change) - linmin: converged after 3 iterations. - iteration 43: trace = 2.491014765050342 (0.0028301% change) + iteration 36: trace = 2.491799751632813 (0.00311934% change) + linmin: converged after 4 iterations. + iteration 37: trace = 2.491716690418874 (0.00333344% change) + large trace change predicted (0.00753832%) + linmin: converged after 5 iterations. + iteration 38: trace = 2.491529175657492 (0.00752581% change) linmin: converged after 4 iterations. - iteration 44: trace = 2.490969415878733 (0.00182053% change) - large trace change predicted (0.0053874%) + iteration 39: trace = 2.491464460627539 (0.00259744% change) + large trace change predicted (0.00785139%) + linmin: converged after 4 iterations. + iteration 40: trace = 2.491269262360082 (0.00783499% change) linmin: converged after 3 iterations. - iteration 45: trace = 2.490834911351619 (0.00539983% change) + iteration 41: trace = 2.491195521267337 (0.00296002% change) linmin: converged after 4 iterations. - iteration 46: trace = 2.490789502484418 (0.00182305% change) - large trace change predicted (0.0100849%) + iteration 42: trace = 2.49108527875815 (0.00442538% change) linmin: converged after 3 iterations. - iteration 47: trace = 2.49053647452969 (0.0101591% change) - linmin: converged after 20 iterations. - iteration 48: trace = 2.490423740490455 (0.0045266% change) + iteration 43: trace = 2.491014775601073 (0.00283026% change) + linmin: converged after 4 iterations. + iteration 44: trace = 2.490969429127248 (0.00182042% change) + large trace change predicted (0.00538751%) linmin: converged after 3 iterations. - iteration 49: trace = 2.490250082384984 (0.00697328% change) + iteration 45: trace = 2.490834921834209 (0.00539994% change) + linmin: converged after 4 iterations. + iteration 46: trace = 2.490789510322033 (0.00182316% change) + large trace change predicted (0.0100847%) linmin: converged after 3 iterations. - iteration 50: trace = 2.490020799246789 (0.00920766% change) + iteration 47: trace = 2.490536485955313 (0.0101589% change) linmin: converged after 5 iterations. - iteration 51: trace = 2.489949055174652 (0.00288131% change) - large trace change predicted (0.00946168%) + iteration 48: trace = 2.490423738801726 (0.00452713% change) + linmin: converged after 3 iterations. + iteration 49: trace = 2.490250098083417 (0.00697258% change) linmin: converged after 3 iterations. - iteration 52: trace = 2.48971117962506 (0.00955389% change) + iteration 50: trace = 2.490020804331949 (0.00920808% change) linmin: converged after 3 iterations. - iteration 53: trace = 2.489658491902614 (0.00211624% change) - large trace change predicted (0.00434355%) + iteration 51: trace = 2.489949074597285 (0.00288073% change) + large trace change predicted (0.0094615%) linmin: converged after 3 iterations. - iteration 54: trace = 2.489549898127971 (0.00436189% change) + iteration 52: trace = 2.489711203362016 (0.00955371% change) linmin: converged after 5 iterations. - iteration 55: trace = 2.48947062557736 (0.00318426% change) + iteration 53: trace = 2.4896585184956 (0.00211613% change) + large trace change predicted (0.00434317%) linmin: converged after 3 iterations. - iteration 56: trace = 2.489407081986692 (0.00255253% change) + iteration 54: trace = 2.489549934222665 (0.00436151% change) linmin: converged after 3 iterations. - iteration 57: trace = 2.489315107827438 (0.00369469% change) + iteration 55: trace = 2.489470651001913 (0.00318469% change) linmin: converged after 3 iterations. - iteration 58: trace = 2.489272616817455 (0.00170695% change) - large trace change predicted (0.0035833%) + iteration 56: trace = 2.4894071249366 (0.00255182% change) linmin: converged after 3 iterations. - iteration 59: trace = 2.489183274694564 (0.00358915% change) + iteration 57: trace = 2.489315145645896 (0.0036949% change) linmin: converged after 3 iterations. - iteration 60: trace = 2.489147397629161 (0.00144133% change) - large trace change predicted (0.00337187%) + iteration 58: trace = 2.489272666737362 (0.00170646% change) + large trace change predicted (0.00358328%) linmin: converged after 3 iterations. - iteration 61: trace = 2.489063390627739 (0.00337499% change) - linmin: converged after 7 iterations. - iteration 62: trace = 2.489014206089442 (0.00197605% change) + iteration 59: trace = 2.489183324951777 (0.00358914% change) linmin: converged after 3 iterations. - iteration 63: trace = 2.488950741324421 (0.00254983% change) + iteration 60: trace = 2.489147449049422 (0.00144128% change) + large trace change predicted (0.00337151%) linmin: converged after 3 iterations. - iteration 64: trace = 2.488865312927528 (0.00343236% change) + iteration 61: trace = 2.489063451113012 (0.00337462% change) + linmin: converged after 4 iterations. + iteration 62: trace = 2.489014249037004 (0.00197675% change) + linmin: converged after 6 iterations. + iteration 63: trace = 2.488950807428571 (0.0025489% change) + linmin: converged after 4 iterations. + iteration 64: trace = 2.488865364566403 (0.00343295% change) linmin: converged after 9 iterations. - iteration 65: trace = 2.48882896850126 (0.00146029% change) + iteration 65: trace = 2.488829037490503 (0.00145959% change) linmin: converged after 3 iterations. - iteration 66: trace = 2.48876392857978 (0.00261331% change) + iteration 66: trace = 2.488763996696364 (0.00261334% change) linmin: converged after 3 iterations. - iteration 67: trace = 2.488735831145782 (0.00112898% change) - large trace change predicted (0.00312832%) - linmin: converged after 4 iterations. - iteration 68: trace = 2.488658025727338 (0.00312635% change) + iteration 67: trace = 2.488735892679015 (0.00112924% change) + large trace change predicted (0.00312786%) linmin: converged after 3 iterations. - iteration 69: trace = 2.488603332566496 (0.00219772% change) - resetting CG direction... - linmin: converged after 7 iterations. - iteration 70: trace = 2.488574488312971 (0.00115906% change) - large trace change predicted (0.00249044%) + iteration 68: trace = 2.488658098466801 (0.0031259% change) linmin: converged after 3 iterations. - iteration 71: trace = 2.48851254333619 (0.00248921% change) + iteration 69: trace = 2.488603378567895 (0.0021988% change) + resetting CG direction... + linmin: converged after 6 iterations. + iteration 70: trace = 2.488574531684216 (0.00115917% change) + large trace change predicted (0.00249094%) linmin: converged after 4 iterations. - iteration 72: trace = 2.488484811407522 (0.0011144% change) - linmin: converged after 3 iterations. - iteration 73: trace = 2.488451517226611 (0.00133794% change) - large trace change predicted (0.00319143%) + iteration 71: trace = 2.488512574348389 (0.0024897% change) linmin: converged after 4 iterations. - iteration 74: trace = 2.488372331770319 (0.00318217% change) + iteration 72: trace = 2.488484854312252 (0.00111393% change) linmin: converged after 3 iterations. - iteration 75: trace = 2.488356743306831 (0.000626454% change) - large trace change predicted (0.00189955%) - linmin: converged after 17 iterations. - iteration 76: trace = 2.488309528844206 (0.00189743% change) + iteration 73: trace = 2.488451556296294 (0.00133809% change) + large trace change predicted (0.0031913%) linmin: converged after 4 iterations. - iteration 77: trace = 2.488271470308082 (0.00152951% change) - linmin: converged after 6 iterations. - iteration 78: trace = 2.48825801210287 (0.000540867% change) - large trace change predicted (0.00171403%) + iteration 74: trace = 2.488372374081026 (0.00318204% change) + linmin: converged after 3 iterations. + iteration 75: trace = 2.488356793118313 (0.000626153% change) + large trace change predicted (0.00190026%) linmin: converged after 4 iterations. - iteration 79: trace = 2.488215444516833 (0.00171075% change) - linmin: converged after 5 iterations. - iteration 80: trace = 2.488166265906318 (0.00197648% change) - linmin: converged after 5 iterations. - iteration 81: trace = 2.488145088281531 (0.000851137% change) + iteration 76: trace = 2.488309560985233 (0.00189814% change) linmin: converged after 8 iterations. - iteration 82: trace = 2.488106107642166 (0.00156667% change) + iteration 77: trace = 2.488271525900499 (0.00152856% change) linmin: converged after 4 iterations. - iteration 83: trace = 2.488066356131985 (0.00159767% change) + iteration 78: trace = 2.488258067367297 (0.00054088% change) + large trace change predicted (0.0017147%) linmin: converged after 4 iterations. - iteration 84: trace = 2.488048660012617 (0.000711242% change) - large trace change predicted (0.00194535%) + iteration 79: trace = 2.488215482955048 (0.00171143% change) linmin: converged after 4 iterations. - iteration 85: trace = 2.488000407478186 (0.00193939% change) + iteration 80: trace = 2.488166313531923 (0.00197611% change) + linmin: converged after 11 iterations. + iteration 81: trace = 2.488145156033438 (0.000850329% change) linmin: converged after 12 iterations. - iteration 86: trace = 2.487937964026419 (0.00250982% change) - linmin: converged after 7 iterations. - iteration 87: trace = 2.487919669342228 (0.000735338% change) - large trace change predicted (0.00295757%) - linmin: converged after 9 iterations. - iteration 88: trace = 2.487846129611174 (0.00295592% change) + iteration 82: trace = 2.4881061866015 (0.00156622% change) + linmin: converged after 4 iterations. + iteration 83: trace = 2.488066429618127 (0.00159789% change) + linmin: converged after 5 iterations. + iteration 84: trace = 2.488048744260647 (0.00071081% change) + large trace change predicted (0.0019452%) + linmin: converged after 4 iterations. + iteration 85: trace = 2.488000495575632 (0.00193924% change) + linmin: converged after 5 iterations. + iteration 86: trace = 2.487938067384158 (0.0025092% change) + linmin: converged after 4 iterations. + iteration 87: trace = 2.487919770738612 (0.000735417% change) + large trace change predicted (0.00295883%) + linmin: converged after 4 iterations. + iteration 88: trace = 2.487846199845228 (0.00295717% change) + linmin: converged after 20 iterations. + iteration 89: trace = 2.487797992877166 (0.00193772% change) linmin: converged after 3 iterations. - iteration 89: trace = 2.487797914847537 (0.00193803% change) + iteration 90: trace = 2.487776400816477 (0.000867922% change) + large trace change predicted (0.00215049%) linmin: converged after 3 iterations. - iteration 90: trace = 2.487776324147264 (0.000867868% change) - large trace change predicted (0.00215009%) - linmin: converged after 10 iterations. - iteration 91: trace = 2.487722850374884 (0.00214948% change) + iteration 91: trace = 2.487722917272832 (0.00214988% change) + linmin: converged after 3 iterations. + iteration 92: trace = 2.487710894146653 (0.0004833% change) + large trace change predicted (0.00124444%) linmin: converged after 3 iterations. - iteration 92: trace = 2.487710832915366 (0.000483072% change) - large trace change predicted (0.00124415%) + iteration 93: trace = 2.487679946117334 (0.00124404% change) linmin: converged after 3 iterations. - iteration 93: trace = 2.487679892050236 (0.00124376% change) + iteration 94: trace = 2.487653105742879 (0.00107894% change) linmin: converged after 3 iterations. - iteration 94: trace = 2.487653052696605 (0.0010789% change) + iteration 95: trace = 2.487630584729249 (0.000905316% change) linmin: converged after 3 iterations. - iteration 95: trace = 2.487630523528716 (0.000905644% change) + iteration 96: trace = 2.48759924688988 (0.00125975% change) linmin: converged after 3 iterations. - iteration 96: trace = 2.487599187541065 (0.00125968% change) + iteration 97: trace = 2.487540270266952 (0.00237085% change) + linmin: converged after 6 iterations. + iteration 98: trace = 2.48752171556945 (0.000745908% change) linmin: converged after 3 iterations. - iteration 97: trace = 2.487540234500335 (0.00236991% change) + iteration 99: trace = 2.487493735660501 (0.00112482% change) linmin: converged after 4 iterations. - iteration 98: trace = 2.487521680053145 (0.000745898% change) + iteration 100: trace = 2.487462313946595 (0.0012632% change) linmin: converged after 3 iterations. - iteration 99: trace = 2.48749369234538 (0.00112513% change) + iteration 101: trace = 2.487455418897321 (0.000277192% change) + large trace change predicted (0.000932959%) linmin: converged after 4 iterations. - iteration 100: trace = 2.487462280776408 (0.00126279% change) + iteration 102: trace = 2.487432249563414 (0.000931452% change) linmin: converged after 3 iterations. - iteration 101: trace = 2.48745538317346 (0.000277295% change) - large trace change predicted (0.000932189%) + iteration 103: trace = 2.48740509816697 (0.00109155% change) linmin: converged after 4 iterations. - iteration 102: trace = 2.487432232946961 (0.000930683% change) + iteration 104: trace = 2.487396861283313 (0.000331144% change) + large trace change predicted (0.00148336%) linmin: converged after 3 iterations. - iteration 103: trace = 2.487405053164896 (0.00109269% change) + iteration 105: trace = 2.487359872610725 (0.00148705% change) linmin: converged after 3 iterations. - iteration 104: trace = 2.487396826845584 (0.000330719% change) - large trace change predicted (0.00148287%) + iteration 106: trace = 2.487331120914214 (0.00115592% change) + linmin: converged after 8 iterations. + iteration 107: trace = 2.487319526891516 (0.000466124% change) + large trace change predicted (0.00232046%) + linmin: converged after 6 iterations. + iteration 108: trace = 2.487261702901499 (0.00232478% change) + linmin: converged after 4 iterations. + iteration 109: trace = 2.487237102470997 (0.000989062% change) + linmin: converged after 16 iterations. + iteration 110: trace = 2.487206722801876 (0.00122143% change) + linmin: converged after 4 iterations. + iteration 111: trace = 2.487173046664129 (0.00135398% change) linmin: converged after 3 iterations. - iteration 105: trace = 2.487359850426164 (0.00148656% change) + iteration 112: trace = 2.487160554216227 (0.000502276% change) linmin: converged after 3 iterations. - iteration 106: trace = 2.487331104378208 (0.00115569% change) + iteration 113: trace = 2.487141981991825 (0.000746727% change) linmin: converged after 3 iterations. - iteration 107: trace = 2.487319503966435 (0.000466381% change) - large trace change predicted (0.00232124%) + iteration 114: trace = 2.487111588755034 (0.00122202% change) + linmin: converged after 5 iterations. + iteration 115: trace = 2.487101762485713 (0.000395088% change) + large trace change predicted (0.000796782%) linmin: converged after 3 iterations. - iteration 108: trace = 2.487261660731532 (0.00232555% change) + iteration 116: trace = 2.487081950720728 (0.000796584% change) linmin: converged after 3 iterations. - iteration 109: trace = 2.487237139175291 (0.000985891% change) + iteration 117: trace = 2.487063715035623 (0.000733219% change) linmin: converged after 3 iterations. - iteration 110: trace = 2.487206689245876 (0.00122425% change) + iteration 118: trace = 2.487055393576179 (0.00033459% change) + large trace change predicted (0.00104961%) linmin: converged after 3 iterations. - iteration 111: trace = 2.487173039153497 (0.00135294% change) + iteration 119: trace = 2.487029281582901 (0.00104992% change) linmin: converged after 3 iterations. - iteration 112: trace = 2.487160582945407 (0.000500819% change) + iteration 120: trace = 2.487008131555085 (0.000850417% change) + linmin: converged after 6 iterations. + iteration 121: trace = 2.487000204690022 (0.000318731% change) + large trace change predicted (0.000983189%) linmin: converged after 3 iterations. - iteration 113: trace = 2.487141962003475 (0.000748686% change) + iteration 122: trace = 2.486975753038561 (0.000983183% change) linmin: converged after 4 iterations. - iteration 114: trace = 2.48711156923264 (0.001222% change) - linmin: converged after 6 iterations. - iteration 115: trace = 2.487101755939142 (0.000394567% change) - large trace change predicted (0.000796849%) + iteration 123: trace = 2.486952986032216 (0.000915454% change) + linmin: converged after 4 iterations. + iteration 124: trace = 2.48694007871177 (0.000519003% change) + large trace change predicted (0.00230833%) + linmin: converged after 5 iterations. + iteration 125: trace = 2.486882724407868 (0.00230625% change) + linmin: converged after 7 iterations. + iteration 126: trace = 2.486843588192765 (0.00157372% change) linmin: converged after 4 iterations. - iteration 116: trace = 2.48708194273615 (0.000796641% change) + iteration 127: trace = 2.486783842052921 (0.00240252% change) + linmin: converged after 5 iterations. + iteration 128: trace = 2.48669877822878 (0.00342069% change) linmin: converged after 3 iterations. - iteration 117: trace = 2.487063696706578 (0.000733635% change) + iteration 129: trace = 2.486661415878102 (0.0015025% change) + linmin: converged after 4 iterations. + iteration 130: trace = 2.486623176291837 (0.0015378% change) + linmin: converged after 4 iterations. + iteration 131: trace = 2.486591385067018 (0.0012785% change) + linmin: converged after 7 iterations. + iteration 132: trace = 2.486581627842567 (0.000392394% change) + large trace change predicted (0.000969979%) linmin: converged after 3 iterations. - iteration 118: trace = 2.487055332252373 (0.000336319% change) - large trace change predicted (0.00104762%) + iteration 133: trace = 2.48655749945349 (0.000970348% change) linmin: converged after 3 iterations. - iteration 119: trace = 2.487029269408359 (0.00104795% change) + iteration 134: trace = 2.486535911416242 (0.000868194% change) linmin: converged after 3 iterations. - iteration 120: trace = 2.487008045615736 (0.000853383% change) - linmin: converged after 6 iterations. - iteration 121: trace = 2.48700017167732 (0.000316603% change) - large trace change predicted (0.000982653%) + iteration 135: trace = 2.486525816959649 (0.000405965% change) + large trace change predicted (0.00133076%) + linmin: converged after 4 iterations. + iteration 136: trace = 2.486492703348604 (0.00133173% change) + linmin: converged after 4 iterations. + iteration 137: trace = 2.486468745032443 (0.000963543% change) linmin: converged after 3 iterations. - iteration 122: trace = 2.486975733197829 (0.000982654% change) + iteration 138: trace = 2.486461375734626 (0.000296376% change) + large trace change predicted (0.000629106%) linmin: converged after 3 iterations. - iteration 123: trace = 2.486952916262832 (0.000917461% change) - linmin: converged after 2 iterations. - iteration 124: trace = 2.48694005832716 (0.000517017% change) - large trace change predicted (0.00230729%) + iteration 139: trace = 2.486445734434541 (0.000629061% change) + resetting CG direction... linmin: converged after 4 iterations. - iteration 125: trace = 2.486882730276597 (0.00230519% change) + iteration 140: trace = 2.486440426287687 (0.000213484% change) linmin: converged after 3 iterations. - iteration 126: trace = 2.486843517538343 (0.0015768% change) + iteration 141: trace = 2.486436914040777 (0.000141256% change) + large trace change predicted (0.000493238%) linmin: converged after 4 iterations. - iteration 127: trace = 2.486783802235894 (0.00240128% change) + iteration 142: trace = 2.486424661164034 (0.00049279% change) linmin: converged after 4 iterations. - iteration 128: trace = 2.486698778470992 (0.00341908% change) - linmin: converged after 3 iterations. - iteration 129: trace = 2.486661370526541 (0.00150433% change) + iteration 143: trace = 2.486421684405544 (0.000119721% change) + large trace change predicted (0.00052235%) linmin: converged after 4 iterations. - iteration 130: trace = 2.486623166420387 (0.00153637% change) - linmin: converged after 3 iterations. - iteration 131: trace = 2.486591360895059 (0.00127907% change) + iteration 144: trace = 2.486408712873516 (0.000521696% change) + linmin: converged after 11 iterations. + iteration 145: trace = 2.486392102735528 (0.00066804% change) linmin: converged after 3 iterations. - iteration 132: trace = 2.486581571046237 (0.000393706% change) - large trace change predicted (0.000967222%) + iteration 146: trace = 2.486387652942157 (0.000178966% change) + large trace change predicted (0.000456815%) linmin: converged after 3 iterations. - iteration 133: trace = 2.486557511365659 (0.000967585% change) + iteration 147: trace = 2.486376293066827 (0.000456884% change) linmin: converged after 3 iterations. - iteration 134: trace = 2.486535889996014 (0.000869534% change) + iteration 148: trace = 2.486363808857679 (0.000502106% change) linmin: converged after 3 iterations. - iteration 135: trace = 2.486525791526607 (0.000406127% change) - large trace change predicted (0.0013309%) + iteration 149: trace = 2.486360021596909 (0.000152321% change) + large trace change predicted (0.000897512%) linmin: converged after 3 iterations. - iteration 136: trace = 2.486492674495266 (0.00133187% change) + iteration 150: trace = 2.486337692320529 (0.000898075% change) linmin: converged after 3 iterations. - iteration 137: trace = 2.486468592737199 (0.000968508% change) - linmin: converged after 8 iterations. - iteration 138: trace = 2.486461349200129 (0.000291319% change) - large trace change predicted (0.000628824%) + iteration 151: trace = 2.486323402148781 (0.000574749% change) + linmin: converged after 4 iterations. + iteration 152: trace = 2.486310356361285 (0.000524703% change) + linmin: converged after 5 iterations. + iteration 153: trace = 2.486288357162762 (0.000884817% change) linmin: converged after 3 iterations. - iteration 139: trace = 2.486445714945586 (0.000628777% change) - resetting CG direction... + iteration 154: trace = 2.486271056330106 (0.000695852% change) linmin: converged after 3 iterations. - iteration 140: trace = 2.486440364077793 (0.000215202% change) + iteration 155: trace = 2.486265132610403 (0.000238257% change) linmin: converged after 3 iterations. - iteration 141: trace = 2.48643689442398 (0.000139543% change) - large trace change predicted (0.000493667%) - linmin: converged after 5 iterations. - iteration 142: trace = 2.486424630862111 (0.00049322% change) + iteration 156: trace = 2.486253291753346 (0.000476252% change) + linmin: converged after 4 iterations. + iteration 157: trace = 2.486244686789376 (0.000346102% change) linmin: converged after 5 iterations. - iteration 143: trace = 2.486421645138631 (0.000120081% change) - large trace change predicted (0.00052143%) + iteration 158: trace = 2.486241825955378 (0.000115067% change) + large trace change predicted (0.000398319%) + linmin: converged after 3 iterations. + iteration 159: trace = 2.486231919331954 (0.000398459% change) linmin: converged after 9 iterations. - iteration 144: trace = 2.48640869659411 (0.000520772% change) - linmin: converged after 4 iterations. - iteration 145: trace = 2.486392039075713 (0.000669945% change) + iteration 160: trace = 2.486229611371214 (9.28297e-05% change) + large trace change predicted (0.00022679%) linmin: converged after 3 iterations. - iteration 146: trace = 2.486387568137675 (0.000179816% change) - large trace change predicted (0.000453974%) + iteration 161: trace = 2.486223972629898 (0.000226799% change) linmin: converged after 4 iterations. - iteration 147: trace = 2.486376278695008 (0.000454051% change) + iteration 162: trace = 2.486219181593964 (0.000192703% change) linmin: converged after 3 iterations. - iteration 148: trace = 2.486363701246483 (0.000505856% change) - linmin: converged after 3 iterations. - iteration 149: trace = 2.486359977647575 (0.000149761% change) - large trace change predicted (0.000896594%) + iteration 163: trace = 2.486216815253101 (9.51783e-05% change) + large trace change predicted (0.000289573%) + linmin: converged after 6 iterations. + iteration 164: trace = 2.48620962295116 (0.000289287% change) + linmin: converged after 16 iterations. + iteration 165: trace = 2.486198995071994 (0.000427474% change) + linmin: converged after 4 iterations. + iteration 166: trace = 2.486196208721726 (0.000112073% change) + large trace change predicted (0.000268915%) + linmin: converged after 5 iterations. + iteration 167: trace = 2.486189525656052 (0.000268807% change) linmin: converged after 3 iterations. - iteration 150: trace = 2.486337671144955 (0.000897159% change) + iteration 168: trace = 2.486181733756766 (0.000313408% change) linmin: converged after 3 iterations. - iteration 151: trace = 2.486322945990872 (0.000592244% change) + iteration 169: trace = 2.486179215393871 (0.000101294% change) + large trace change predicted (0.000252436%) linmin: converged after 3 iterations. - iteration 152: trace = 2.486310311991143 (0.000508141% change) + iteration 170: trace = 2.486172940593497 (0.000252388% change) + linmin: converged after 4 iterations. + iteration 171: trace = 2.486164282038283 (0.000348269% change) + linmin: converged after 6 iterations. + iteration 172: trace = 2.486160838810276 (0.000138496% change) + large trace change predicted (0.000311009%) linmin: converged after 3 iterations. - iteration 153: trace = 2.48628834262749 (0.000883617% change) + iteration 173: trace = 2.486153108251038 (0.000310944% change) + linmin: converged after 25 iterations. + iteration 174: trace = 2.486146004011373 (0.000285753% change) + linmin: converged after 4 iterations. + iteration 175: trace = 2.486143632725438 (9.538e-05% change) + large trace change predicted (0.000290671%) linmin: converged after 3 iterations. - iteration 154: trace = 2.486270777770409 (0.000706472% change) + iteration 176: trace = 2.486136408854742 (0.000290566% change) + linmin: converged after 4 iterations. + iteration 177: trace = 2.48613208172174 (0.000174051% change) linmin: converged after 3 iterations. - iteration 155: trace = 2.486265100022484 (0.000228364% change) - large trace change predicted (0.000475066%) + iteration 178: trace = 2.486129095035653 (0.000120134% change) linmin: converged after 3 iterations. - iteration 156: trace = 2.486253277978252 (0.000475495% change) + iteration 179: trace = 2.486124829953296 (0.000171555% change) linmin: converged after 3 iterations. - iteration 157: trace = 2.486244584253122 (0.000349672% change) + iteration 180: trace = 2.486122453914366 (9.5572e-05% change) linmin: converged after 4 iterations. - iteration 158: trace = 2.486241802712577 (0.000111877% change) - large trace change predicted (0.000398101%) - linmin: converged after 3 iterations. - iteration 159: trace = 2.486231901505214 (0.000398241% change) - linmin: converged after 3 iterations. - iteration 160: trace = 2.486229510742024 (9.61602e-05% change) - large trace change predicted (0.000223303%) + iteration 181: trace = 2.48611906724599 (0.000136223% change) + large trace change predicted (0.000341287%) + linmin: converged after 5 iterations. + iteration 182: trace = 2.486110588312287 (0.000341052% change) linmin: converged after 3 iterations. - iteration 161: trace = 2.486223958656125 (0.000223314% change) + iteration 183: trace = 2.486106216329269 (0.000175856% change) linmin: converged after 5 iterations. - iteration 162: trace = 2.486219153101501 (0.000193287% change) + iteration 184: trace = 2.486103674003452 (0.000102261% change) linmin: converged after 3 iterations. - iteration 163: trace = 2.486216749691723 (9.66693e-05% change) - large trace change predicted (0.00028739%) - linmin: converged after 4 iterations. - iteration 164: trace = 2.486209611799701 (0.000287099% change) + iteration 185: trace = 2.486099632450399 (0.000162566% change) linmin: converged after 4 iterations. - iteration 165: trace = 2.486198939073596 (0.000429278% change) - linmin: converged after 4 iterations. - iteration 166: trace = 2.486196075316957 (0.000115186% change) - large trace change predicted (0.000263943%) - linmin: converged after 3 iterations. - iteration 167: trace = 2.486189515898882 (0.000263834% change) - linmin: converged after 3 iterations. - iteration 168: trace = 2.486181677693373 (0.00031527% change) + iteration 186: trace = 2.486096187334873 (0.000138575% change) linmin: converged after 3 iterations. - iteration 169: trace = 2.486178980746995 (0.000108478% change) - large trace change predicted (0.000243339%) + iteration 187: trace = 2.486093703627064 (9.9904e-05% change) linmin: converged after 3 iterations. - iteration 170: trace = 2.486172932037342 (0.000243294% change) - linmin: converged after 6 iterations. - iteration 171: trace = 2.486164268379485 (0.000348474% change) - linmin: converged after 4 iterations. - iteration 172: trace = 2.486160749798842 (0.000141527% change) - large trace change predicted (0.000307656%) - linmin: converged after 4 iterations. - iteration 173: trace = 2.48615310281474 (0.000307583% change) - linmin: converged after 13 iterations. - iteration 174: trace = 2.486145978824816 (0.000286547% change) + iteration 188: trace = 2.486088979402842 (0.000190026% change) linmin: converged after 4 iterations. - iteration 175: trace = 2.486143489981627 (0.000100109% change) - large trace change predicted (0.000285133%) - linmin: converged after 5 iterations. - iteration 176: trace = 2.486136403667667 (0.000285033% change) - linmin: converged after 3 iterations. - iteration 177: trace = 2.486131847476408 (0.000183264% change) + iteration 189: trace = 2.486086887550682 (8.41423e-05% change) + large trace change predicted (0.000212595%) linmin: converged after 3 iterations. - iteration 178: trace = 2.486129089392494 (0.000110939% change) - linmin: converged after 4 iterations. - iteration 179: trace = 2.486124817015899 (0.000171849% change) + iteration 190: trace = 2.486081600343451 (0.000212672% change) linmin: converged after 3 iterations. - iteration 180: trace = 2.48612236315362 (9.87023e-05% change) + iteration 191: trace = 2.486075452752698 (0.000247281% change) linmin: converged after 3 iterations. - iteration 181: trace = 2.486119062160494 (0.000132777% change) - large trace change predicted (0.000341427%) - linmin: converged after 4 iterations. - iteration 182: trace = 2.4861105797808 (0.00034119% change) - linmin: converged after 7 iterations. - iteration 183: trace = 2.486106060532093 (0.00018178% change) + iteration 192: trace = 2.486072763188167 (0.000108185% change) linmin: converged after 5 iterations. - iteration 184: trace = 2.486103655763718 (9.67284e-05% change) + iteration 193: trace = 2.486067969922797 (0.000192805% change) linmin: converged after 4 iterations. - iteration 185: trace = 2.486099626625522 (0.000162067% change) - linmin: converged after 7 iterations. - iteration 186: trace = 2.486095981949239 (0.000146602% change) - linmin: converged after 4 iterations. - iteration 187: trace = 2.486093698477957 (9.18497e-05% change) - large trace change predicted (0.000189809%) - linmin: converged after 3 iterations. - iteration 188: trace = 2.486088979475488 (0.000189816% change) + iteration 194: trace = 2.486062925610843 (0.000202903% change) linmin: converged after 4 iterations. - iteration 189: trace = 2.48608690303075 (8.35226e-05% change) - large trace change predicted (0.000213472%) + iteration 195: trace = 2.486061535742492 (5.59064e-05% change) + large trace change predicted (0.000142062%) linmin: converged after 3 iterations. - iteration 190: trace = 2.486081594103196 (0.000213546% change) + iteration 196: trace = 2.486058002020657 (0.000142141% change) linmin: converged after 3 iterations. - iteration 191: trace = 2.486075453278893 (0.000247008% change) + iteration 197: trace = 2.486054813679147 (0.000128249% change) linmin: converged after 3 iterations. - iteration 192: trace = 2.486072831976526 (0.000105439% change) + iteration 198: trace = 2.486053806717634 (4.05044e-05% change) + large trace change predicted (9.51028e-05%) linmin: converged after 3 iterations. - iteration 193: trace = 2.4860679699097 (0.000195572% change) + iteration 199: trace = 2.486051441191795 (9.51519e-05% change) linmin: converged after 3 iterations. - iteration 194: trace = 2.486062912554137 (0.000203428% change) + iteration 200: trace = 2.486048732511587 (0.000108955% change) linmin: converged after 4 iterations. - iteration 195: trace = 2.486061531735453 (5.55424e-05% change) - large trace change predicted (0.000142%) - linmin: converged after 4 iterations. - iteration 196: trace = 2.486057999578007 (0.000142079% change) + iteration 201: trace = 2.486047402407006 (5.35028e-05% change) + linmin: converged after 3 iterations. + iteration 202: trace = 2.486045476154208 (7.74826e-05% change) + large trace change predicted (0.000218235%) linmin: converged after 5 iterations. - iteration 197: trace = 2.486054808772496 (0.000128348% change) + iteration 203: trace = 2.486040047091733 (0.000218382% change) linmin: converged after 3 iterations. - iteration 198: trace = 2.48605378060835 (4.13573e-05% change) - large trace change predicted (9.41783e-05%) + iteration 204: trace = 2.486039166914806 (3.54048e-05% change) + large trace change predicted (0.000209557%) linmin: converged after 3 iterations. - iteration 199: trace = 2.486051438129305 (9.42248e-05% change) + iteration 205: trace = 2.486033954731504 (0.000209658% change) + linmin: converged after 11 iterations. + iteration 206: trace = 2.486031816571463 (8.60069e-05% change) + linmin: converged after 3 iterations. + iteration 207: trace = 2.486030314165447 (6.04339e-05% change) linmin: converged after 5 iterations. - iteration 200: trace = 2.486048715755478 (0.000109506% change) + iteration 208: trace = 2.486028035545148 (9.1657e-05% change) linmin: converged after 4 iterations. - iteration 201: trace = 2.486047264557858 (5.83737e-05% change) + iteration 209: trace = 2.486026136340175 (7.63952e-05% change) + resetting CG direction... linmin: converged after 3 iterations. - iteration 202: trace = 2.486045469216303 (7.22167e-05% change) - large trace change predicted (0.000221725%) + iteration 210: trace = 2.486024828606143 (5.26034e-05% change) linmin: converged after 4 iterations. - iteration 203: trace = 2.486039953169782 (0.000221881% change) + iteration 211: trace = 2.486023011337262 (7.30994e-05% change) linmin: converged after 4 iterations. - iteration 204: trace = 2.486039052344386 (3.62354e-05% change) - large trace change predicted (0.000205339%) - linmin: converged after 5 iterations. - iteration 205: trace = 2.48603394525744 (0.000205431% change) + iteration 212: trace = 2.486021958946691 (4.23323e-05% change) linmin: converged after 4 iterations. - iteration 206: trace = 2.486031440356014 (0.000100759% change) - linmin: converged after 3 iterations. - iteration 207: trace = 2.486030262167184 (4.73924e-05% change) + iteration 213: trace = 2.486020277641727 (6.76304e-05% change) + linmin: converged after 4 iterations. + iteration 214: trace = 2.486017674946085 (0.000104693% change) + linmin: converged after 4 iterations. + iteration 215: trace = 2.48601692670489 (3.0098e-05% change) + large trace change predicted (8.71448e-05%) + linmin: converged after 5 iterations. + iteration 216: trace = 2.486014761223194 (8.71065e-05% change) linmin: converged after 3 iterations. - iteration 208: trace = 2.486028013530505 (9.04509e-05% change) + iteration 217: trace = 2.486012623248272 (8.60001e-05% change) linmin: converged after 3 iterations. - iteration 209: trace = 2.486025018789553 (0.000120463% change) - resetting CG direction... + iteration 218: trace = 2.486012044132261 (2.3295e-05% change) + large trace change predicted (5.36286e-05%) linmin: converged after 4 iterations. - iteration 210: trace = 2.486023490495198 (6.14754e-05% change) + iteration 219: trace = 2.486010711383891 (5.36099e-05% change) + linmin: converged after 6 iterations. + iteration 220: trace = 2.486008916729622 (7.21902e-05% change) + linmin: converged after 25 iterations. + iteration 221: trace = 2.486008455951716 (1.85348e-05% change) + large trace change predicted (9.51937e-05%) linmin: converged after 3 iterations. - iteration 211: trace = 2.48602166290103 (7.35148e-05% change) + iteration 222: trace = 2.486006090722459 (9.51417e-05% change) linmin: converged after 3 iterations. - iteration 212: trace = 2.486020612198732 (4.22644e-05% change) - linmin: converged after 4 iterations. - iteration 213: trace = 2.486018869972251 (7.0081e-05% change) + iteration 223: trace = 2.486004877817063 (4.87893e-05% change) linmin: converged after 3 iterations. - iteration 214: trace = 2.48601666176142 (8.88252e-05% change) + iteration 224: trace = 2.486003542948205 (5.36954e-05% change) linmin: converged after 3 iterations. - iteration 215: trace = 2.48601553870887 (4.51748e-05% change) - linmin: converged after 5 iterations. - iteration 216: trace = 2.486013568363215 (7.92572e-05% change) + iteration 225: trace = 2.486001343555744 (8.8471e-05% change) + linmin: converged after 3 iterations. + iteration 226: trace = 2.485998330637381 (0.000121195% change) linmin: converged after 4 iterations. - iteration 217: trace = 2.486011370528944 (8.8408e-05% change) - linmin: converged after 5 iterations. - iteration 218: trace = 2.486010571011795 (3.21606e-05% change) + iteration 227: trace = 2.485997161709145 (4.70205e-05% change) + large trace change predicted (0.000143628%) + linmin: converged after 4 iterations. + iteration 228: trace = 2.485993591643689 (0.000143607% change) linmin: converged after 3 iterations. - iteration 219: trace = 2.486009406007689 (4.68624e-05% change) + iteration 229: trace = 2.485991505621592 (8.3911e-05% change) linmin: converged after 3 iterations. - iteration 220: trace = 2.486007496049898 (7.68283e-05% change) + iteration 230: trace = 2.485989934547922 (6.31971e-05% change) linmin: converged after 3 iterations. - iteration 221: trace = 2.486007097673618 (1.60247e-05% change) - large trace change predicted (9.33328e-05%) + iteration 231: trace = 2.485987024687265 (0.00011705% change) + linmin: converged after 2 iterations. + iteration 232: trace = 2.485986311117337 (2.87037e-05% change) + large trace change predicted (9.429e-05%) + linmin: converged after 4 iterations. + iteration 233: trace = 2.485983966742283 (9.43037e-05% change) linmin: converged after 3 iterations. - iteration 222: trace = 2.486004778739243 (9.32795e-05% change) - linmin: converged after 5 iterations. - iteration 223: trace = 2.486003289766493 (5.98942e-05% change) + iteration 234: trace = 2.485982208689947 (7.07186e-05% change) linmin: converged after 3 iterations. - iteration 224: trace = 2.486002283893566 (4.04615e-05% change) - large trace change predicted (8.70104e-05%) + iteration 235: trace = 2.485981394320971 (3.27584e-05% change) + large trace change predicted (9.73445e-05%) linmin: converged after 5 iterations. - iteration 225: trace = 2.486000121159814 (8.69965e-05% change) - linmin: converged after 3 iterations. - iteration 226: trace = 2.485997425034041 (0.000108452% change) - linmin: converged after 9 iterations. - iteration 227: trace = 2.485996163125309 (5.07607e-05% change) - large trace change predicted (0.000151638%) - linmin: converged after 3 iterations. - iteration 228: trace = 2.485992393875975 (0.000151619% change) + iteration 236: trace = 2.485978974020557 (9.7358e-05% change) linmin: converged after 4 iterations. - iteration 229: trace = 2.485989733002224 (0.000107035% change) - linmin: converged after 3 iterations. - iteration 230: trace = 2.485988693714676 (4.18058e-05% change) - large trace change predicted (0.000117502%) + iteration 237: trace = 2.485976274723788 (0.000108581% change) + linmin: converged after 4 iterations. + iteration 238: trace = 2.485975509195995 (3.07939e-05% change) + large trace change predicted (7.32103e-05%) linmin: converged after 4 iterations. - iteration 231: trace = 2.485985772719453 (0.000117498% change) + iteration 239: trace = 2.485973688821438 (7.32258e-05% change) linmin: converged after 3 iterations. - iteration 232: trace = 2.485984443995183 (5.34486e-05% change) + iteration 240: trace = 2.485972437034539 (5.0354e-05% change) linmin: converged after 4 iterations. - iteration 233: trace = 2.485982851734076 (6.40495e-05% change) + iteration 241: trace = 2.485971943923507 (1.98357e-05% change) + large trace change predicted (5.45342e-05%) linmin: converged after 4 iterations. - iteration 234: trace = 2.485980885310167 (7.91005e-05% change) + iteration 242: trace = 2.485970588352293 (5.45288e-05% change) linmin: converged after 3 iterations. - iteration 235: trace = 2.485979858206526 (4.13158e-05% change) - linmin: converged after 3 iterations. - iteration 236: trace = 2.485978209871819 (6.63053e-05% change) + iteration 243: trace = 2.485968437510989 (8.65192e-05% change) + linmin: converged after 7 iterations. + iteration 244: trace = 2.485967883903829 (2.22693e-05% change) + large trace change predicted (8.02129e-05%) linmin: converged after 4 iterations. - iteration 237: trace = 2.48597582834629 (9.57984e-05% change) - linmin: converged after 5 iterations. - iteration 238: trace = 2.485974912326365 (3.68475e-05% change) - large trace change predicted (8.70141e-05%) + iteration 245: trace = 2.485965889993239 (8.02066e-05% change) linmin: converged after 4 iterations. - iteration 239: trace = 2.485972748667882 (8.70346e-05% change) + iteration 246: trace = 2.485963422938597 (9.92393e-05% change) linmin: converged after 4 iterations. - iteration 240: trace = 2.485971492712208 (5.05217e-05% change) + iteration 247: trace = 2.485962675624906 (3.00613e-05% change) + large trace change predicted (0.000144146%) linmin: converged after 3 iterations. - iteration 241: trace = 2.485970973928371 (2.08685e-05% change) - large trace change predicted (5.40368e-05%) - linmin: converged after 6 iterations. - iteration 242: trace = 2.485969630536715 (5.40389e-05% change) + iteration 248: trace = 2.485959090686081 (0.000144207% change) linmin: converged after 3 iterations. - iteration 243: trace = 2.485967559831264 (8.32957e-05% change) + iteration 249: trace = 2.485958221179425 (3.49767e-05% change) + large trace change predicted (8.72311e-05%) + linmin: converged after 4 iterations. + iteration 250: trace = 2.485956051894108 (8.72616e-05% change) linmin: converged after 3 iterations. - iteration 244: trace = 2.485967078739419 (1.93523e-05% change) - large trace change predicted (8.2354e-05%) + iteration 251: trace = 2.485954021900463 (8.16585e-05% change) + linmin: converged after 5 iterations. + iteration 252: trace = 2.485953190105285 (3.34598e-05% change) linmin: converged after 3 iterations. - iteration 245: trace = 2.485965031323315 (8.2359e-05% change) + iteration 253: trace = 2.485951647006734 (6.20727e-05% change) linmin: converged after 3 iterations. - iteration 246: trace = 2.485962640659584 (9.61665e-05% change) + iteration 254: trace = 2.485948981042621 (0.000107241% change) linmin: converged after 3 iterations. - iteration 247: trace = 2.485961944036905 (2.80223e-05% change) - large trace change predicted (0.000151146%) - linmin: converged after 4 iterations. - iteration 248: trace = 2.485958185151954 (0.000151205% change) + iteration 255: trace = 2.485948465075391 (2.07553e-05% change) + large trace change predicted (6.03751e-05%) linmin: converged after 3 iterations. - iteration 249: trace = 2.485956960222452 (4.9274e-05% change) + iteration 256: trace = 2.485946964024644 (6.03814e-05% change) linmin: converged after 4 iterations. - iteration 250: trace = 2.485955150742278 (7.27881e-05% change) + iteration 257: trace = 2.485945373878816 (6.39654e-05% change) linmin: converged after 3 iterations. - iteration 251: trace = 2.485953066285371 (8.38494e-05% change) - linmin: converged after 4 iterations. - iteration 252: trace = 2.485952164881962 (3.62599e-05% change) + iteration 258: trace = 2.485944811122859 (2.26375e-05% change) + large trace change predicted (5.46057e-05%) linmin: converged after 3 iterations. - iteration 253: trace = 2.485950800249106 (5.48938e-05% change) - linmin: converged after 4 iterations. - iteration 254: trace = 2.485948205009592 (0.000104396% change) + iteration 259: trace = 2.485943453612871 (5.46074e-05% change) + linmin: converged after 5 iterations. + iteration 260: trace = 2.485941948874805 (6.05299e-05% change) linmin: converged after 3 iterations. - iteration 255: trace = 2.485947601448794 (2.42789e-05% change) - large trace change predicted (5.97318e-05%) + iteration 261: trace = 2.485941278119295 (2.69819e-05% change) + large trace change predicted (7.13386e-05%) + linmin: converged after 7 iterations. + iteration 262: trace = 2.485939505315472 (7.13132e-05% change) linmin: converged after 4 iterations. - iteration 256: trace = 2.485946116174774 (5.97468e-05% change) - linmin: converged after 5 iterations. - iteration 257: trace = 2.485944524338768 (6.40334e-05% change) + iteration 263: trace = 2.485937796681214 (6.8732e-05% change) linmin: converged after 4 iterations. - iteration 258: trace = 2.485943911939749 (2.46345e-05% change) - large trace change predicted (5.0313e-05%) - linmin: converged after 15 iterations. - iteration 259: trace = 2.485942661183049 (5.03132e-05% change) + iteration 264: trace = 2.485937035515218 (3.06189e-05% change) + large trace change predicted (7.86427e-05%) linmin: converged after 3 iterations. - iteration 260: trace = 2.485941103862217 (6.26451e-05% change) + iteration 265: trace = 2.485935081284383 (7.86115e-05% change) linmin: converged after 3 iterations. - iteration 261: trace = 2.485940744162713 (1.44694e-05% change) - large trace change predicted (8.07906e-05%) + iteration 266: trace = 2.485932607368591 (9.95166e-05% change) linmin: converged after 3 iterations. - iteration 262: trace = 2.485938736422496 (8.07638e-05% change) + iteration 267: trace = 2.485931460957576 (4.61159e-05% change) + large trace change predicted (9.94941e-05%) + linmin: converged after 6 iterations. + iteration 268: trace = 2.485928989420726 (9.9421e-05% change) linmin: converged after 3 iterations. - iteration 263: trace = 2.485937070192094 (6.70262e-05% change) + iteration 269: trace = 2.485927595924775 (5.60554e-05% change) linmin: converged after 3 iterations. - iteration 264: trace = 2.485936394434843 (2.71832e-05% change) - large trace change predicted (7.49784e-05%) - linmin: converged after 8 iterations. - iteration 265: trace = 2.485934530771025 (7.49683e-05% change) + iteration 270: trace = 2.485926594444538 (4.0286e-05% change) linmin: converged after 4 iterations. - iteration 266: trace = 2.485932254701447 (9.15579e-05% change) - linmin: converged after 4 iterations. - iteration 267: trace = 2.485931133415977 (4.51052e-05% change) - large trace change predicted (0.000103874%) - linmin: converged after 4 iterations. - iteration 268: trace = 2.485928553014296 (0.0001038% change) + iteration 271: trace = 2.485924997135682 (6.42541e-05% change) + linmin: converged after 15 iterations. + iteration 272: trace = 2.485924342121591 (2.63489e-05% change) + large trace change predicted (5.78893e-05%) linmin: converged after 3 iterations. - iteration 269: trace = 2.485926983853744 (6.31217e-05% change) + iteration 273: trace = 2.485922903387359 (5.78752e-05% change) linmin: converged after 3 iterations. - iteration 270: trace = 2.485926089404439 (3.59805e-05% change) - linmin: converged after 5 iterations. - iteration 271: trace = 2.485924390151787 (6.83549e-05% change) - linmin: converged after 4 iterations. - iteration 272: trace = 2.485923218224088 (4.71425e-05% change) + iteration 274: trace = 2.485921515011044 (5.58495e-05% change) linmin: converged after 3 iterations. - iteration 273: trace = 2.485922138723549 (4.34245e-05% change) + iteration 275: trace = 2.485920716025962 (3.21404e-05% change) linmin: converged after 3 iterations. - iteration 274: trace = 2.485920888319217 (5.02994e-05% change) + iteration 276: trace = 2.4859193840188 (5.35821e-05% change) linmin: converged after 3 iterations. - iteration 275: trace = 2.485920113174555 (3.11814e-05% change) + iteration 277: trace = 2.485918142401825 (4.9946e-05% change) linmin: converged after 3 iterations. - iteration 276: trace = 2.485918807819563 (5.25099e-05% change) + iteration 278: trace = 2.48591779523024 (1.39655e-05% change) + large trace change predicted (3.59278e-05%) linmin: converged after 3 iterations. - iteration 277: trace = 2.485917542684775 (5.08921e-05% change) - linmin: converged after 4 iterations. - iteration 278: trace = 2.485917216708569 (1.31129e-05% change) - large trace change predicted (3.23434e-05%) - linmin: converged after 2 iterations. - iteration 279: trace = 2.485916412678185 (3.23434e-05% change) + iteration 279: trace = 2.485916902088734 (3.5928e-05% change) resetting CG direction... linmin: converged after 3 iterations. - iteration 280: trace = 2.485915854614772 (2.2449e-05% change) - linmin: converged after 4 iterations. - iteration 281: trace = 2.485915604839614 (1.00476e-05% change) - large trace change predicted (3.13564e-05%) + iteration 280: trace = 2.485916266443926 (2.55698e-05% change) linmin: converged after 3 iterations. - iteration 282: trace = 2.485914825426478 (3.13532e-05% change) - linmin: converged after 4 iterations. - iteration 283: trace = 2.485913935720369 (3.57899e-05% change) + iteration 281: trace = 2.485916106350365 (6.44002e-06% change) + large trace change predicted (3.81502e-05%) linmin: converged after 3 iterations. - iteration 284: trace = 2.485913602026633 (1.34234e-05% change) - large trace change predicted (4.71743e-05%) + iteration 282: trace = 2.485915158131423 (3.81436e-05% change) linmin: converged after 3 iterations. - iteration 285: trace = 2.485912430014779 (4.71461e-05% change) + iteration 283: trace = 2.485914537639087 (2.49603e-05% change) linmin: converged after 4 iterations. - iteration 286: trace = 2.485911610531108 (3.29651e-05% change) + iteration 284: trace = 2.485914049166152 (1.96496e-05% change) + large trace change predicted (4.93265e-05%) + linmin: converged after 5 iterations. + iteration 285: trace = 2.485912823407929 (4.93082e-05% change) linmin: converged after 4 iterations. - iteration 287: trace = 2.485911233500578 (1.51667e-05% change) - large trace change predicted (3.64809e-05%) + iteration 286: trace = 2.485912094541793 (2.93199e-05% change) + linmin: converged after 3 iterations. + iteration 287: trace = 2.485911633804073 (1.8534e-05% change) + large trace change predicted (4.02137e-05%) linmin: converged after 4 iterations. - iteration 288: trace = 2.485910326580237 (3.64824e-05% change) + iteration 288: trace = 2.485910634040018 (4.02172e-05% change) linmin: converged after 4 iterations. - iteration 289: trace = 2.485909660726284 (2.67851e-05% change) - linmin: converged after 3 iterations. - iteration 290: trace = 2.485908543743136 (4.49326e-05% change) + iteration 289: trace = 2.485909643201789 (3.98582e-05% change) linmin: converged after 4 iterations. - iteration 291: trace = 2.48590702865525 (6.09471e-05% change) - linmin: converged after 6 iterations. - iteration 292: trace = 2.485906460482644 (2.28557e-05% change) - linmin: converged after 5 iterations. - iteration 293: trace = 2.485905405789129 (4.24269e-05% change) - linmin: converged after 3 iterations. - iteration 294: trace = 2.485904090084648 (5.29266e-05% change) + iteration 290: trace = 2.485908823075942 (3.2991e-05% change) linmin: converged after 3 iterations. - iteration 295: trace = 2.4859038167858 (1.09939e-05% change) - large trace change predicted (3.55819e-05%) - linmin: converged after 3 iterations. - iteration 296: trace = 2.485902932019473 (3.55913e-05% change) - linmin: converged after 5 iterations. - iteration 297: trace = 2.485902210676486 (2.90173e-05% change) + iteration 291: trace = 2.485907471494008 (5.43697e-05% change) linmin: converged after 4 iterations. - iteration 298: trace = 2.485901645474348 (2.27363e-05% change) - linmin: converged after 3 iterations. - iteration 299: trace = 2.485901281643706 (1.46358e-05% change) - large trace change predicted (3.45878e-05%) - linmin: converged after 3 iterations. - iteration 300: trace = 2.485900421822486 (3.45879e-05% change) - linmin: converged after 3 iterations. - iteration 301: trace = 2.485900255980168 (6.67132e-06% change) - large trace change predicted (2.61477e-05%) - linmin: converged after 5 iterations. - iteration 302: trace = 2.485899605899899 (2.61507e-05% change) - linmin: converged after 6 iterations. - iteration 303: trace = 2.485898894206893 (2.86292e-05% change) + iteration 292: trace = 2.485906630002547 (3.38505e-05% change) linmin: converged after 4 iterations. - iteration 304: trace = 2.485898680576151 (8.5937e-06% change) - large trace change predicted (3.4018e-05%) - linmin: converged after 3 iterations. - iteration 305: trace = 2.485897834986386 (3.40155e-05% change) + iteration 293: trace = 2.485905770756359 (3.45647e-05% change) + linmin: converged after 4 iterations. + iteration 294: trace = 2.485904468477978 (5.23865e-05% change) + linmin: converged after 2 iterations. + iteration 295: trace = 2.485904189357696 (1.12281e-05% change) + large trace change predicted (3.48404e-05%) linmin: converged after 5 iterations. - iteration 306: trace = 2.485897110045423 (2.91621e-05% change) + iteration 296: trace = 2.485903323120835 (3.4846e-05% change) linmin: converged after 4 iterations. - iteration 307: trace = 2.485896884702557 (9.06485e-06% change) - large trace change predicted (2.94314e-05%) + iteration 297: trace = 2.485902524165459 (3.21394e-05% change) linmin: converged after 3 iterations. - iteration 308: trace = 2.485896153256249 (2.94238e-05% change) + iteration 298: trace = 2.485902295192233 (9.21087e-06% change) + large trace change predicted (3.35435e-05%) + linmin: converged after 4 iterations. + iteration 299: trace = 2.485901461147545 (3.3551e-05% change) + linmin: converged after 4 iterations. + iteration 300: trace = 2.485900713023806 (3.00947e-05% change) linmin: converged after 4 iterations. - iteration 309: trace = 2.485895610553827 (2.18313e-05% change) + iteration 301: trace = 2.48590049078878 (8.93982e-06% change) + large trace change predicted (2.05372e-05%) linmin: converged after 3 iterations. - iteration 310: trace = 2.485895372859215 (9.56173e-06% change) - large trace change predicted (2.56914e-05%) + iteration 302: trace = 2.485899980288874 (2.05358e-05% change) linmin: converged after 3 iterations. - iteration 311: trace = 2.485894734361974 (2.56848e-05% change) + iteration 303: trace = 2.485899128889836 (3.42491e-05% change) + linmin: converged after 2 iterations. + iteration 304: trace = 2.485898908302043 (8.87356e-06% change) + large trace change predicted (3.43252e-05%) + linmin: converged after 4 iterations. + iteration 305: trace = 2.485898055152247 (3.43196e-05% change) linmin: converged after 3 iterations. - iteration 312: trace = 2.485893943895731 (3.17981e-05% change) + iteration 306: trace = 2.485897355246886 (2.8155e-05% change) linmin: converged after 3 iterations. - iteration 313: trace = 2.48589372298764 (8.88647e-06% change) - large trace change predicted (1.8117e-05%) + iteration 307: trace = 2.485897128353642 (9.12722e-06% change) + large trace change predicted (2.67403e-05%) linmin: converged after 4 iterations. - iteration 314: trace = 2.485893272793051 (1.811e-05% change) - linmin: converged after 7 iterations. - iteration 315: trace = 2.485892693143444 (2.33176e-05% change) + iteration 308: trace = 2.485896463814954 (2.67324e-05% change) linmin: converged after 3 iterations. - iteration 316: trace = 2.485892581999734 (4.47098e-06% change) - large trace change predicted (2.28637e-05%) + iteration 309: trace = 2.485895903975254 (2.25206e-05% change) linmin: converged after 3 iterations. - iteration 317: trace = 2.485892013736819 (2.28595e-05% change) - linmin: converged after 9 iterations. - iteration 318: trace = 2.485891796052413 (8.75679e-06% change) - linmin: converged after 7 iterations. - iteration 319: trace = 2.485891534558626 (1.05191e-05% change) - linmin: converged after 3 iterations. - iteration 320: trace = 2.485891109768906 (1.7088e-05% change) + iteration 310: trace = 2.485895724116689 (7.23516e-06% change) + large trace change predicted (2.86058e-05%) linmin: converged after 4 iterations. - iteration 321: trace = 2.485890687364705 (1.69921e-05% change) - linmin: converged after 11 iterations. - iteration 322: trace = 2.485890419178516 (1.07883e-05% change) - large trace change predicted (2.48834e-05%) - linmin: converged after 3 iterations. - iteration 323: trace = 2.485889800734375 (2.48782e-05% change) + iteration 311: trace = 2.485895013177396 (2.85989e-05% change) + linmin: converged after 18 iterations. + iteration 312: trace = 2.485894336911347 (2.72041e-05% change) linmin: converged after 4 iterations. - iteration 324: trace = 2.485889500881436 (1.20622e-05% change) - linmin: converged after 5 iterations. - iteration 325: trace = 2.485889304231886 (7.91063e-06% change) - large trace change predicted (1.89391e-05%) + iteration 313: trace = 2.485894078903185 (1.03789e-05% change) + large trace change predicted (2.14475e-05%) linmin: converged after 3 iterations. - iteration 326: trace = 2.485888833500975 (1.89361e-05% change) - linmin: converged after 2 iterations. - iteration 327: trace = 2.485888532237391 (1.21189e-05% change) + iteration 314: trace = 2.4858935458788 (2.1442e-05% change) + linmin: converged after 4 iterations. + iteration 315: trace = 2.485892887614328 (2.648e-05% change) linmin: converged after 3 iterations. - iteration 328: trace = 2.485888224327214 (1.23863e-05% change) - large trace change predicted (2.88287e-05%) + iteration 316: trace = 2.485892776555636 (4.46756e-06% change) + large trace change predicted (2.22825e-05%) linmin: converged after 3 iterations. - iteration 329: trace = 2.485887507641941 (2.88302e-05% change) + iteration 317: trace = 2.485892222699805 (2.228e-05% change) linmin: converged after 3 iterations. - iteration 330: trace = 2.485887321590134 (7.48432e-06% change) - large trace change predicted (2.62286e-05%) - linmin: converged after 4 iterations. - iteration 331: trace = 2.485886669509031 (2.62313e-05% change) - linmin: converged after 17 iterations. - iteration 332: trace = 2.485886271546526 (1.60089e-05% change) - linmin: converged after 23 iterations. - iteration 333: trace = 2.485886036669849 (9.44841e-06% change) + iteration 318: trace = 2.485892039014362 (7.38912e-06% change) linmin: converged after 3 iterations. - iteration 334: trace = 2.485885727686369 (1.24295e-05% change) - linmin: converged after 4 iterations. - iteration 335: trace = 2.485885463547331 (1.06256e-05% change) + iteration 319: trace = 2.485891791617298 (9.95204e-06% change) linmin: converged after 5 iterations. - iteration 336: trace = 2.48588538035897 (3.34643e-06% change) - large trace change predicted (7.91677e-06%) - linmin: converged after 3 iterations. - iteration 337: trace = 2.485885183544672 (7.91727e-06% change) + iteration 320: trace = 2.485891391988305 (1.60759e-05% change) + linmin: converged after 7 iterations. + iteration 321: trace = 2.485891169953313 (8.93181e-06% change) + large trace change predicted (2.03328e-05%) + linmin: converged after 9 iterations. + iteration 322: trace = 2.485890664567487 (2.03302e-05% change) linmin: converged after 3 iterations. - iteration 338: trace = 2.485884977341013 (8.29498e-06% change) - linmin: converged after 13 iterations. - iteration 339: trace = 2.4858849238718 (2.15091e-06% change) - large trace change predicted (1.14147e-05%) - linmin: converged after 4 iterations. - iteration 340: trace = 2.485884640050627 (1.14173e-05% change) - linmin: converged after 4 iterations. - iteration 341: trace = 2.485884455890573 (7.40823e-06% change) + iteration 323: trace = 2.485890058172773 (2.43935e-05% change) linmin: converged after 3 iterations. - iteration 342: trace = 2.48588431959591 (5.48274e-06% change) - large trace change predicted (1.25046e-05%) + iteration 324: trace = 2.485889835203563 (8.96939e-06% change) + linmin: converged after 5 iterations. + iteration 325: trace = 2.485889564079149 (1.09065e-05% change) + large trace change predicted (2.26554e-05%) linmin: converged after 3 iterations. - iteration 343: trace = 2.485884008707377 (1.25062e-05% change) + iteration 326: trace = 2.485889000966348 (2.26524e-05% change) linmin: converged after 3 iterations. - iteration 344: trace = 2.485883631919509 (1.51571e-05% change) + iteration 327: trace = 2.485888675638745 (1.3087e-05% change) linmin: converged after 4 iterations. - iteration 345: trace = 2.485883543829701 (3.5436e-06% change) - large trace change predicted (1.38635e-05%) - linmin: converged after 4 iterations. - iteration 346: trace = 2.485883199158217 (1.38652e-05% change) + iteration 328: trace = 2.485888398802114 (1.11363e-05% change) + large trace change predicted (3.02796e-05%) linmin: converged after 5 iterations. - iteration 347: trace = 2.485883040870831 (6.36745e-06% change) - linmin: converged after 2 iterations. - iteration 348: trace = 2.485882925940942 (4.6233e-06% change) - large trace change predicted (3.41652e-05%) - linmin: converged after 3 iterations. - iteration 349: trace = 2.485882076662393 (3.41641e-05% change) - resetting CG direction... + iteration 329: trace = 2.48588764609367 (3.02793e-05% change) linmin: converged after 3 iterations. - iteration 350: trace = 2.485881531845951 (2.19164e-05% change) - linmin: converged after 4 iterations. - iteration 351: trace = 2.485881420376806 (4.48409e-06% change) - linmin: converged after 2 iterations. - iteration 352: trace = 2.485881210121353 (8.45798e-06% change) + iteration 330: trace = 2.485887459959844 (7.48762e-06% change) + large trace change predicted (2.03563e-05%) linmin: converged after 3 iterations. - iteration 353: trace = 2.485881016334936 (7.79548e-06% change) - linmin: converged after 23 iterations. - iteration 354: trace = 2.485880937761203 (3.1608e-06% change) - large trace change predicted (1.07913e-05%) - linmin: converged after 4 iterations. - iteration 355: trace = 2.485880669553119 (1.07893e-05% change) - linmin: converged after 4 iterations. - iteration 356: trace = 2.485880540272528 (5.2006e-06% change) - linmin: converged after 12 iterations. - iteration 357: trace = 2.485880411295024 (5.1884e-06% change) - linmin: converged after 16 iterations. - iteration 358: trace = 2.485880205524116 (8.27759e-06% change) + iteration 331: trace = 2.485886953880486 (2.03581e-05% change) linmin: converged after 5 iterations. - iteration 359: trace = 2.485880077288831 (5.15855e-06% change) + iteration 332: trace = 2.48588644301729 (2.05505e-05% change) linmin: converged after 3 iterations. - iteration 360: trace = 2.485879944471353 (5.34288e-06% change) - linmin: converged after 5 iterations. - iteration 361: trace = 2.485879801549053 (5.74936e-06% change) + iteration 333: trace = 2.485886317775208 (5.03813e-06% change) + large trace change predicted (1.69467e-05%) linmin: converged after 3 iterations. - iteration 362: trace = 2.485879707457223 (3.78505e-06% change) - linmin: converged after 13 iterations. - iteration 363: trace = 2.485879634528129 (2.93373e-06% change) - large trace change predicted (8.03772e-06%) + iteration 334: trace = 2.485885896429684 (1.69495e-05% change) linmin: converged after 4 iterations. - iteration 364: trace = 2.485879434740679 (8.03689e-06% change) - linmin: converged after 28 iterations. - iteration 365: trace = 2.485879331367719 (4.15841e-06% change) - large trace change predicted (9.29068e-06%) + iteration 335: trace = 2.485885663322595 (9.37722e-06% change) + linmin: converged after 13 iterations. + iteration 336: trace = 2.485885575379685 (3.53769e-06% change) + large trace change predicted (9.35405e-06%) linmin: converged after 4 iterations. - iteration 366: trace = 2.485879100454452 (9.289e-06% change) + iteration 337: trace = 2.485885342834154 (9.35464e-06% change) linmin: converged after 5 iterations. - iteration 367: trace = 2.485878837064779 (1.05954e-05% change) - linmin: converged after 3 iterations. - iteration 368: trace = 2.485878729131869 (4.34184e-06% change) - large trace change predicted (1.2098e-05%) - linmin: converged after 3 iterations. - iteration 369: trace = 2.485878428408305 (1.20973e-05% change) - linmin: converged after 3 iterations. - iteration 370: trace = 2.485878073758307 (1.42666e-05% change) + iteration 338: trace = 2.485885123695065 (8.81533e-06% change) linmin: converged after 4 iterations. - iteration 371: trace = 2.485877981221552 (3.7225e-06% change) - large trace change predicted (1.13229e-05%) - linmin: converged after 25 iterations. - iteration 372: trace = 2.485877699742548 (1.13231e-05% change) - linmin: converged after 4 iterations. - iteration 373: trace = 2.485877484507991 (8.65829e-06% change) + iteration 339: trace = 2.485885073281763 (2.02798e-06% change) + large trace change predicted (1.17835e-05%) linmin: converged after 4 iterations. - iteration 374: trace = 2.485877418337438 (2.66186e-06% change) - large trace change predicted (7.70211e-06%) + iteration 340: trace = 2.485884780291338 (1.17862e-05% change) linmin: converged after 4 iterations. - iteration 375: trace = 2.485877226856576 (7.70275e-06% change) - linmin: converged after 3 iterations. - iteration 376: trace = 2.485877013790351 (8.57107e-06% change) + iteration 341: trace = 2.485884552310904 (9.171e-06% change) linmin: converged after 3 iterations. - iteration 377: trace = 2.485876955746806 (2.33493e-06% change) - large trace change predicted (1.01283e-05%) - linmin: converged after 4 iterations. - iteration 378: trace = 2.485876703951327 (1.0129e-05% change) - linmin: converged after 4 iterations. - iteration 379: trace = 2.485876519710565 (7.4115e-06% change) - linmin: converged after 4 iterations. - iteration 380: trace = 2.485876419522392 (4.0303e-06% change) + iteration 342: trace = 2.485884431536797 (4.8584e-06% change) + large trace change predicted (1.14772e-05%) linmin: converged after 3 iterations. - iteration 381: trace = 2.48587629009486 (5.20652e-06% change) + iteration 343: trace = 2.485884146158527 (1.14799e-05% change) linmin: converged after 3 iterations. - iteration 382: trace = 2.485876114997457 (7.04369e-06% change) + iteration 344: trace = 2.485883765578684 (1.53096e-05% change) linmin: converged after 3 iterations. - iteration 383: trace = 2.485876067118848 (1.92603e-06% change) - large trace change predicted (5.9119e-06%) + iteration 345: trace = 2.485883680966571 (3.4037e-06% change) + large trace change predicted (1.23705e-05%) linmin: converged after 3 iterations. - iteration 384: trace = 2.485875920162212 (5.91166e-06% change) + iteration 346: trace = 2.48588337341522 (1.23719e-05% change) + linmin: converged after 4 iterations. + iteration 347: trace = 2.485883192189433 (7.2902e-06% change) + linmin: converged after 4 iterations. + iteration 348: trace = 2.485883090595048 (4.08685e-06% change) + large trace change predicted (3.89033e-05%) + linmin: converged after 5 iterations. + iteration 349: trace = 2.48588212377413 (3.88925e-05% change) + resetting CG direction... linmin: converged after 3 iterations. - iteration 385: trace = 2.485875699790946 (8.86493e-06% change) - linmin: converged after 2 iterations. - iteration 386: trace = 2.485875637547403 (2.50389e-06% change) - large trace change predicted (1.44752e-05%) + iteration 350: trace = 2.485881717137515 (1.63578e-05% change) linmin: converged after 3 iterations. - iteration 387: trace = 2.485875277674114 (1.44767e-05% change) + iteration 351: trace = 2.485881406695928 (1.24882e-05% change) linmin: converged after 3 iterations. - iteration 388: trace = 2.48587516732283 (4.43913e-06% change) - large trace change predicted (1.0271e-05%) + iteration 352: trace = 2.485881145145835 (1.05214e-05% change) + linmin: converged after 2 iterations. + iteration 353: trace = 2.485881066045664 (3.18198e-06% change) + large trace change predicted (6.82079e-06%) linmin: converged after 4 iterations. - iteration 389: trace = 2.485874911966766 (1.02723e-05% change) - linmin: converged after 3 iterations. - iteration 390: trace = 2.485874724965145 (7.52257e-06% change) + iteration 354: trace = 2.4858808965058 (6.82011e-06% change) linmin: converged after 3 iterations. - iteration 391: trace = 2.485874585810329 (5.59782e-06% change) - linmin: converged after 2 iterations. - iteration 392: trace = 2.485874475007122 (4.45731e-06% change) - large trace change predicted (9.21703e-06%) - linmin: converged after 5 iterations. - iteration 393: trace = 2.485874245862277 (9.21788e-06% change) - linmin: converged after 2 iterations. - iteration 394: trace = 2.485874097138778 (5.98274e-06% change) + iteration 355: trace = 2.48588068475609 (8.5181e-06% change) linmin: converged after 4 iterations. - iteration 395: trace = 2.485874018548325 (3.16148e-06% change) - large trace change predicted (9.11319e-06%) + iteration 356: trace = 2.485880603454357 (3.27054e-06% change) + large trace change predicted (8.60176e-06%) linmin: converged after 4 iterations. - iteration 396: trace = 2.485873792000316 (9.11342e-06% change) - linmin: converged after 3 iterations. - iteration 397: trace = 2.485873650025204 (5.71128e-06% change) - linmin: converged after 2 iterations. - iteration 398: trace = 2.485873575026428 (3.017e-06% change) - large trace change predicted (6.83041e-06%) - linmin: converged after 3 iterations. - iteration 399: trace = 2.485873405232691 (6.83035e-06% change) - linmin: converged after 2 iterations. - iteration 400: trace = 2.485873334427557 (2.8483e-06% change) + iteration 357: trace = 2.48588038965553 (8.60053e-06% change) linmin: converged after 8 iterations. - iteration 401: trace = 2.485873226746033 (4.33174e-06% change) + iteration 358: trace = 2.485880216138286 (6.98011e-06% change) + linmin: converged after 5 iterations. + iteration 359: trace = 2.485880147506609 (2.76086e-06% change) + large trace change predicted (9.58303e-06%) linmin: converged after 4 iterations. - iteration 402: trace = 2.485873102627311 (4.99296e-06% change) - linmin: converged after 3 iterations. - iteration 403: trace = 2.485873013082879 (3.60213e-06% change) - linmin: converged after 3 iterations. - iteration 404: trace = 2.485872848650845 (6.61466e-06% change) + iteration 360: trace = 2.485879909344931 (9.58058e-06% change) + linmin: converged after 2 iterations. + iteration 361: trace = 2.485879852921484 (2.26976e-06% change) + large trace change predicted (6.05681e-06%) linmin: converged after 3 iterations. - iteration 405: trace = 2.485872606465885 (9.74245e-06% change) - linmin: converged after 4 iterations. - iteration 406: trace = 2.485872500525659 (4.26169e-06% change) - linmin: converged after 4 iterations. - iteration 407: trace = 2.485872340775921 (6.4263e-06% change) + iteration 362: trace = 2.48587970237807 (6.05594e-06% change) linmin: converged after 4 iterations. - iteration 408: trace = 2.485872127636879 (8.57401e-06% change) + iteration 363: trace = 2.485879582002844 (4.84236e-06% change) + linmin: converged after 3 iterations. + iteration 364: trace = 2.485879525883055 (2.25754e-06% change) + large trace change predicted (6.10089e-06%) linmin: converged after 27 iterations. - iteration 409: trace = 2.485871977664941 (6.03297e-06% change) + iteration 365: trace = 2.485879374229206 (6.10061e-06% change) + linmin: converged after 4 iterations. + iteration 366: trace = 2.485879082510129 (1.1735e-05% change) linmin: converged after 3 iterations. - iteration 410: trace = 2.48587178743392 (7.65249e-06% change) - linmin: converged after 14 iterations. - iteration 411: trace = 2.485871653136878 (5.40241e-06% change) + iteration 367: trace = 2.485878886181569 (7.89775e-06% change) linmin: converged after 3 iterations. - iteration 412: trace = 2.485871591977778 (2.46027e-06% change) - large trace change predicted (5.14357e-06%) + iteration 368: trace = 2.485878741144857 (5.83442e-06% change) + large trace change predicted (1.24761e-05%) linmin: converged after 4 iterations. - iteration 413: trace = 2.485871464120002 (5.14338e-06% change) + iteration 369: trace = 2.485878431028723 (1.24751e-05% change) linmin: converged after 4 iterations. - iteration 414: trace = 2.485871293319661 (6.87084e-06% change) + iteration 370: trace = 2.485878245635042 (7.45787e-06% change) linmin: converged after 3 iterations. - iteration 415: trace = 2.485871249562674 (1.76023e-06% change) - large trace change predicted (6.72001e-06%) + iteration 371: trace = 2.48587800562127 (9.65509e-06% change) linmin: converged after 3 iterations. - iteration 416: trace = 2.48587108249018 (6.72088e-06% change) + iteration 372: trace = 2.485877668762886 (1.35509e-05% change) linmin: converged after 3 iterations. - iteration 417: trace = 2.485870984250105 (3.95194e-06% change) - linmin: converged after 2 iterations. - iteration 418: trace = 2.485870952548725 (1.27526e-06% change) - large trace change predicted (3.18047e-06%) + iteration 373: trace = 2.485877591141227 (3.12251e-06% change) + large trace change predicted (8.24066e-06%) + linmin: converged after 26 iterations. + iteration 374: trace = 2.485877386284078 (8.24084e-06% change) linmin: converged after 2 iterations. - iteration 419: trace = 2.485870873482373 (3.18063e-06% change) - resetting CG direction... - linmin: converged after 8 iterations. - iteration 420: trace = 2.485870826185133 (1.90264e-06% change) + iteration 375: trace = 2.485877228333558 (6.35391e-06% change) linmin: converged after 3 iterations. - iteration 421: trace = 2.485870804992696 (8.52516e-07% change) - large trace change predicted (3.67275e-06%) - linmin: converged after 16 iterations. - iteration 422: trace = 2.485870713703668 (3.67232e-06% change) - linmin: converged after 6 iterations. - iteration 423: trace = 2.485870649459652 (2.58437e-06% change) - linmin: converged after 26 iterations. - iteration 424: trace = 2.485870579195577 (2.82654e-06% change) - large trace change predicted (6.14005e-06%) + iteration 376: trace = 2.485877165118545 (2.54297e-06% change) + large trace change predicted (9.22126e-06%) + linmin: converged after 4 iterations. + iteration 377: trace = 2.485876935882278 (9.22154e-06% change) + linmin: converged after 5 iterations. + iteration 378: trace = 2.485876632304699 (1.22121e-05% change) + linmin: converged after 3 iterations. + iteration 379: trace = 2.485876469941768 (6.53142e-06% change) linmin: converged after 3 iterations. - iteration 425: trace = 2.48587042658298 (6.1392e-06% change) + iteration 380: trace = 2.485876384994545 (3.41719e-06% change) linmin: converged after 3 iterations. - iteration 426: trace = 2.485870387733369 (1.56282e-06% change) - large trace change predicted (3.80478e-06%) + iteration 381: trace = 2.485876246894911 (5.55537e-06% change) linmin: converged after 3 iterations. - iteration 427: trace = 2.48587029315704 (3.80456e-06% change) + iteration 382: trace = 2.485876131693353 (4.63424e-06% change) linmin: converged after 2 iterations. - iteration 428: trace = 2.485870201672891 (3.68017e-06% change) - linmin: converged after 10 iterations. - iteration 429: trace = 2.485870167072535 (1.39188e-06% change) - large trace change predicted (5.75033e-06%) - linmin: converged after 4 iterations. - iteration 430: trace = 2.485870024103886 (5.75125e-06% change) - linmin: converged after 4 iterations. - iteration 431: trace = 2.485869898548686 (5.05075e-06% change) - linmin: converged after 4 iterations. - iteration 432: trace = 2.485869844610689 (2.16978e-06% change) - large trace change predicted (5.09535e-06%) - linmin: converged after 5 iterations. - iteration 433: trace = 2.485869717931538 (5.09597e-06% change) + iteration 383: trace = 2.485876029081536 (4.12779e-06% change) linmin: converged after 3 iterations. - iteration 434: trace = 2.485869570860758 (5.91627e-06% change) + iteration 384: trace = 2.485875875031404 (6.19702e-06% change) linmin: converged after 4 iterations. - iteration 435: trace = 2.485869538405462 (1.30559e-06% change) - large trace change predicted (5.01784e-06%) + iteration 385: trace = 2.485875764851311 (4.43224e-06% change) linmin: converged after 4 iterations. - iteration 436: trace = 2.48586941365184 (5.01851e-06% change) - linmin: converged after 2 iterations. - iteration 437: trace = 2.485869353111046 (2.4354e-06% change) + iteration 386: trace = 2.485875606567166 (6.36734e-06% change) + linmin: converged after 3 iterations. + iteration 387: trace = 2.485875303400402 (1.21956e-05% change) linmin: converged after 4 iterations. - iteration 438: trace = 2.485869325966736 (1.09194e-06% change) - large trace change predicted (2.91817e-06%) - linmin: converged after 2 iterations. - iteration 439: trace = 2.485869253421938 (2.91829e-06% change) + iteration 388: trace = 2.485875243754839 (2.39938e-06% change) + large trace change predicted (1.36332e-05%) linmin: converged after 3 iterations. - iteration 440: trace = 2.485869187405435 (2.65567e-06% change) + iteration 389: trace = 2.485874904812921 (1.36347e-05% change) linmin: converged after 4 iterations. - iteration 441: trace = 2.485869154122661 (1.33888e-06% change) - large trace change predicted (3.93182e-06%) + iteration 390: trace = 2.485874783035636 (4.89877e-06% change) linmin: converged after 4 iterations. - iteration 442: trace = 2.485869056381857 (3.93186e-06% change) - linmin: converged after 7 iterations. - iteration 443: trace = 2.485868990631439 (2.64497e-06% change) + iteration 391: trace = 2.485874644759516 (5.56247e-06% change) linmin: converged after 4 iterations. - iteration 444: trace = 2.485868950514359 (1.61381e-06% change) - large trace change predicted (3.49854e-06%) - linmin: converged after 11 iterations. - iteration 445: trace = 2.48586886354771 (3.49844e-06% change) + iteration 392: trace = 2.485874463927511 (7.27438e-06% change) + linmin: converged after 13 iterations. + iteration 393: trace = 2.48587434226425 (4.89418e-06% change) linmin: converged after 3 iterations. - iteration 446: trace = 2.48586877851952 (3.42046e-06% change) - linmin: converged after 9 iterations. - iteration 447: trace = 2.485868752222224 (1.05787e-06% change) - large trace change predicted (3.20654e-06%) + iteration 394: trace = 2.485874213745911 (5.16995e-06% change) linmin: converged after 3 iterations. - iteration 448: trace = 2.485868672520881 (3.20618e-06% change) + iteration 395: trace = 2.485874013503302 (8.05522e-06% change) linmin: converged after 3 iterations. - iteration 449: trace = 2.485868616373929 (2.25865e-06% change) - linmin: converged after 7 iterations. - iteration 450: trace = 2.485868588677285 (1.11416e-06% change) - large trace change predicted (3.17835e-06%) + iteration 396: trace = 2.485873782680754 (9.28537e-06% change) linmin: converged after 3 iterations. - iteration 451: trace = 2.485868509679706 (3.17787e-06% change) - linmin: converged after 3 iterations. - iteration 452: trace = 2.48586843517151 (2.99727e-06% change) - linmin: converged after 2 iterations. - iteration 453: trace = 2.485868392214075 (1.72807e-06% change) - linmin: converged after 20 iterations. - iteration 454: trace = 2.485868313100681 (3.18253e-06% change) + iteration 397: trace = 2.485873716457973 (2.66396e-06% change) + large trace change predicted (5.84117e-06%) + linmin: converged after 4 iterations. + iteration 398: trace = 2.48587357124529 (5.84152e-06% change) + linmin: converged after 5 iterations. + iteration 399: trace = 2.485873417919489 (6.16788e-06% change) linmin: converged after 3 iterations. - iteration 455: trace = 2.485868274828585 (1.53959e-06% change) + iteration 400: trace = 2.485873369336586 (1.95436e-06% change) + large trace change predicted (7.29056e-06%) + linmin: converged after 4 iterations. + iteration 401: trace = 2.485873188114865 (7.29006e-06% change) linmin: converged after 2 iterations. - iteration 456: trace = 2.485868253101239 (8.74034e-07% change) - large trace change predicted (2.03344e-06%) - linmin: converged after 8 iterations. - iteration 457: trace = 2.485868202554756 (2.03335e-06% change) - linmin: converged after 7 iterations. - iteration 458: trace = 2.485868180754217 (8.76979e-07% change) - linmin: converged after 7 iterations. - iteration 459: trace = 2.485868151906752 (1.16046e-06% change) - linmin: converged after 3 iterations. - iteration 460: trace = 2.48586810987279 (1.69092e-06% change) + iteration 402: trace = 2.48587309645974 (3.68704e-06% change) linmin: converged after 4 iterations. - iteration 461: trace = 2.485868059976598 (2.00719e-06% change) - linmin: converged after 11 iterations. - iteration 462: trace = 2.485868030641332 (1.18008e-06% change) - large trace change predicted (3.03729e-06%) + iteration 403: trace = 2.485873017853438 (3.16212e-06% change) + large trace change predicted (7.65729e-06%) + linmin: converged after 10 iterations. + iteration 404: trace = 2.48587282752613 (7.65636e-06% change) linmin: converged after 3 iterations. - iteration 463: trace = 2.485867955143797 (3.03707e-06% change) - linmin: converged after 7 iterations. - iteration 464: trace = 2.485867933956875 (8.52295e-07% change) - linmin: converged after 18 iterations. - iteration 465: trace = 2.485867898022732 (1.44554e-06% change) + iteration 405: trace = 2.485872688309413 (5.60032e-06% change) linmin: converged after 3 iterations. - iteration 466: trace = 2.485867844866589 (2.13833e-06% change) + iteration 406: trace = 2.485872555305122 (5.35041e-06% change) linmin: converged after 3 iterations. - iteration 467: trace = 2.485867827753335 (6.88422e-07% change) - large trace change predicted (2.05603e-06%) + iteration 407: trace = 2.485872342129963 (8.57547e-06% change) + linmin: converged after 12 iterations. + iteration 408: trace = 2.485872135909771 (8.29569e-06% change) linmin: converged after 3 iterations. - iteration 468: trace = 2.48586777664503 (2.05595e-06% change) + iteration 409: trace = 2.485872049542226 (3.47434e-06% change) + large trace change predicted (1.08556e-05%) linmin: converged after 3 iterations. - iteration 469: trace = 2.485867700976697 (3.04394e-06% change) - linmin: converged after 6 iterations. - iteration 470: trace = 2.485867681369146 (7.88761e-07% change) - large trace change predicted (2.85284e-06%) - linmin: converged after 2 iterations. - iteration 471: trace = 2.485867610450966 (2.85285e-06% change) - linmin: converged after 2 iterations. - iteration 472: trace = 2.485867560946671 (1.99143e-06% change) + iteration 410: trace = 2.485871779753951 (1.08529e-05% change) linmin: converged after 3 iterations. - iteration 473: trace = 2.485867528400795 (1.30924e-06% change) - linmin: converged after 2 iterations. - iteration 474: trace = 2.485867502088975 (1.05846e-06% change) + iteration 411: trace = 2.485871692470118 (3.5112e-06% change) linmin: converged after 4 iterations. - iteration 475: trace = 2.485867470495856 (1.27091e-06% change) - linmin: converged after 17 iterations. - iteration 476: trace = 2.485867464037915 (2.59786e-07% change) - large trace change predicted (8.49973e-07%) + iteration 412: trace = 2.485871604328963 (3.54568e-06% change) linmin: converged after 3 iterations. - iteration 477: trace = 2.485867442908187 (8.49994e-07% change) - linmin: converged after 5 iterations. - iteration 478: trace = 2.485867424065592 (7.57989e-07% change) - linmin: converged after 24 iterations. - iteration 479: trace = 2.485867415467713 (3.4587e-07% change) - large trace change predicted (1.17432e-06%) + iteration 413: trace = 2.485871474375143 (5.2277e-06% change) + linmin: converged after 6 iterations. + iteration 414: trace = 2.485871398699373 (3.04424e-06% change) linmin: converged after 3 iterations. - iteration 480: trace = 2.485867386273996 (1.17439e-06% change) + iteration 415: trace = 2.485871259497093 (5.59974e-06% change) linmin: converged after 3 iterations. - iteration 481: trace = 2.485867357807119 (1.14515e-06% change) + iteration 416: trace = 2.48587107086337 (7.58823e-06% change) linmin: converged after 2 iterations. - iteration 482: trace = 2.485867343996171 (5.55579e-07% change) + iteration 417: trace = 2.485871007237861 (2.55949e-06% change) linmin: converged after 2 iterations. - iteration 483: trace = 2.485867316968237 (1.08726e-06% change) - linmin: converged after 3 iterations. - iteration 484: trace = 2.48586729751084 (7.82721e-07% change) - linmin: converged after 3 iterations. - iteration 485: trace = 2.485867273695258 (9.58039e-07% change) - linmin: converged after 3 iterations. - iteration 486: trace = 2.485867232206363 (1.66899e-06% change) - linmin: converged after 3 iterations. - iteration 487: trace = 2.485867213588743 (7.48939e-07% change) + iteration 418: trace = 2.485870952015147 (2.22146e-06% change) linmin: converged after 2 iterations. - iteration 488: trace = 2.485867197120823 (6.62462e-07% change) - large trace change predicted (3.32071e-06%) - linmin: converged after 3 iterations. - iteration 489: trace = 2.48586711456449 (3.32103e-06% change) + iteration 419: trace = 2.485870867235995 (3.41044e-06% change) resetting CG direction... - linmin: converged after 4 iterations. - iteration 490: trace = 2.485867057641508 (2.28986e-06% change) - linmin: converged after 3 iterations. - iteration 491: trace = 2.485867045958281 (4.69986e-07% change) - large trace change predicted (1.18401e-06%) linmin: converged after 2 iterations. - iteration 492: trace = 2.485867016525217 (1.18402e-06% change) + iteration 420: trace = 2.485870831737272 (1.42802e-06% change) linmin: converged after 3 iterations. - iteration 493: trace = 2.485866998923883 (7.08056e-07% change) - linmin: converged after 6 iterations. - iteration 494: trace = 2.48586698163748 (6.95387e-07% change) - linmin: converged after 4 iterations. - iteration 495: trace = 2.485866953304781 (1.13975e-06% change) + iteration 421: trace = 2.485870798556152 (1.33479e-06% change) + large trace change predicted (3.73466e-06%) linmin: converged after 3 iterations. - iteration 496: trace = 2.485866942582915 (4.31313e-07% change) - linmin: converged after 12 iterations. - iteration 497: trace = 2.485866926918081 (6.30156e-07% change) - linmin: converged after 4 iterations. - iteration 498: trace = 2.4858669057752 (8.50523e-07% change) - linmin: converged after 5 iterations. - iteration 499: trace = 2.485866895686453 (4.05844e-07% change) - linmin: converged after 10 iterations. - iteration 500: trace = 2.485866878962881 (6.72746e-07% change) - linmin: converged after 4 iterations. - iteration 501: trace = 2.485866862334349 (6.68923e-07% change) - linmin: converged after 23 iterations. - iteration 502: trace = 2.485866855253454 (2.84846e-07% change) - linmin: converged after 5 iterations. - iteration 503: trace = 2.485866841566453 (5.50593e-07% change) - linmin: converged after 14 iterations. - iteration 504: trace = 2.485866821485023 (8.07824e-07% change) - linmin: converged after 9 iterations. - iteration 505: trace = 2.485866815467968 (2.42051e-07% change) - large trace change predicted (1.31005e-06%) - linmin: converged after 5 iterations. - iteration 506: trace = 2.485866782902573 (1.31002e-06% change) - linmin: converged after 13 iterations. - iteration 507: trace = 2.485866758698175 (9.7368e-07% change) - linmin: converged after 3 iterations. - iteration 508: trace = 2.485866745310048 (5.3857e-07% change) - large trace change predicted (1.65922e-06%) - linmin: converged after 4 iterations. - iteration 509: trace = 2.485866704064841 (1.65919e-06% change) - linmin: converged after 10 iterations. - iteration 510: trace = 2.485866675385664 (1.15369e-06% change) - linmin: converged after 4 iterations. - iteration 511: trace = 2.485866651966378 (9.42097e-07% change) - linmin: converged after 2 iterations. - iteration 512: trace = 2.485866617539643 (1.3849e-06% change) - linmin: converged after 4 iterations. - iteration 513: trace = 2.48586659685221 (8.32202e-07% change) - linmin: converged after 23 iterations. - iteration 514: trace = 2.485866587209584 (3.87898e-07% change) - large trace change predicted (9.62888e-07%) - linmin: converged after 3 iterations. - iteration 515: trace = 2.485866563272827 (9.62914e-07% change) - linmin: converged after 2 iterations. - iteration 516: trace = 2.485866544787994 (7.43597e-07% change) - linmin: converged after 4 iterations. - iteration 517: trace = 2.485866532302611 (5.02255e-07% change) - large trace change predicted (1.12845e-06%) - linmin: converged after 19 iterations. - iteration 518: trace = 2.485866504250144 (1.12848e-06% change) - linmin: converged after 7 iterations. - iteration 519: trace = 2.485866482402194 (8.78887e-07% change) - linmin: converged after 7 iterations. - iteration 520: trace = 2.485866470636628 (4.73298e-07% change) - linmin: converged after 18 iterations. - iteration 521: trace = 2.485866457128474 (5.43398e-07% change) + iteration 422: trace = 2.485870705715341 (3.73474e-06% change) + linmin: converged after 6 iterations. + iteration 423: trace = 2.485870668143564 (1.51141e-06% change) + large trace change predicted (4.27017e-06%) + linmin: converged after 28 iterations. + iteration 424: trace = 2.485870561993498 (4.27014e-06% change) linmin: converged after 2 iterations. - iteration 522: trace = 2.485866434636247 (9.04804e-07% change) - linmin: converged after 16 iterations. - iteration 523: trace = 2.485866429450478 (2.0861e-07% change) - large trace change predicted (7.45031e-07%) + iteration 425: trace = 2.48587042244037 (5.61385e-06% change) + linmin: converged after 8 iterations. + iteration 426: trace = 2.485870388484133 (1.36597e-06% change) + large trace change predicted (2.99723e-06%) + linmin: converged after 14 iterations. + iteration 427: trace = 2.48587031397219 (2.99742e-06% change) linmin: converged after 4 iterations. - iteration 524: trace = 2.485866410930361 (7.45017e-07% change) + iteration 428: trace = 2.48587019804362 (4.6635e-06% change) linmin: converged after 6 iterations. - iteration 525: trace = 2.485866386554031 (9.80597e-07% change) - linmin: converged after 3 iterations. - iteration 526: trace = 2.485866379448863 (2.85823e-07% change) - large trace change predicted (1.33751e-06%) - linmin: converged after 3 iterations. - iteration 527: trace = 2.485866346199174 (1.33755e-06% change) - linmin: converged after 5 iterations. - iteration 528: trace = 2.485866325278606 (8.41581e-07% change) - linmin: converged after 16 iterations. - iteration 529: trace = 2.485866308319103 (6.82237e-07% change) - linmin: converged after 26 iterations. - iteration 530: trace = 2.485866286243084 (8.88061e-07% change) + iteration 429: trace = 2.485870161148562 (1.48419e-06% change) + large trace change predicted (5.56823e-06%) linmin: converged after 4 iterations. - iteration 531: trace = 2.48586627228336 (5.61564e-07% change) - linmin: converged after 3 iterations. - iteration 532: trace = 2.485866254795329 (7.03498e-07% change) + iteration 430: trace = 2.485870022711149 (5.56897e-06% change) + linmin: converged after 4 iterations. + iteration 431: trace = 2.485869880872105 (5.70581e-06% change) linmin: converged after 2 iterations. - iteration 533: trace = 2.485866225060005 (1.19618e-06% change) + iteration 432: trace = 2.48586981161958 (2.78585e-06% change) linmin: converged after 4 iterations. - iteration 534: trace = 2.485866219383023 (2.2837e-07% change) - large trace change predicted (8.98148e-07%) + iteration 433: trace = 2.485869701070765 (4.44709e-06% change) linmin: converged after 5 iterations. - iteration 535: trace = 2.485866197055422 (8.98182e-07% change) + iteration 434: trace = 2.485869570715773 (5.24384e-06% change) linmin: converged after 3 iterations. - iteration 536: trace = 2.485866174206045 (9.19172e-07% change) - linmin: converged after 4 iterations. - iteration 537: trace = 2.485866165051766 (3.68253e-07% change) + iteration 435: trace = 2.485869540471615 (1.21664e-06% change) + large trace change predicted (4.61833e-06%) linmin: converged after 3 iterations. - iteration 538: trace = 2.485866146926398 (7.29137e-07% change) - linmin: converged after 3 iterations. - iteration 539: trace = 2.485866128585155 (7.37821e-07% change) + iteration 436: trace = 2.485869425652021 (4.61889e-06% change) linmin: converged after 2 iterations. - iteration 540: trace = 2.485866122226289 (2.55801e-07% change) - large trace change predicted (5.71085e-07%) - linmin: converged after 8 iterations. - iteration 541: trace = 2.485866108030621 (5.71055e-07% change) - linmin: converged after 18 iterations. - iteration 542: trace = 2.485866092245941 (6.34977e-07% change) - linmin: converged after 4 iterations. - iteration 543: trace = 2.48586607536496 (6.79078e-07% change) - linmin: converged after 17 iterations. - iteration 544: trace = 2.485866067343571 (3.2268e-07% change) - large trace change predicted (1.28422e-06%) - linmin: converged after 4 iterations. - iteration 545: trace = 2.485866035423817 (1.28405e-06% change) - linmin: converged after 8 iterations. - iteration 546: trace = 2.485866028410034 (2.82146e-07% change) - large trace change predicted (7.52651e-07%) - linmin: converged after 3 iterations. - iteration 547: trace = 2.485866009701284 (7.52605e-07% change) + iteration 437: trace = 2.485869369695286 (2.25099e-06% change) + linmin: converged after 11 iterations. + iteration 438: trace = 2.485869338723402 (1.24592e-06% change) + large trace change predicted (4.09836e-06%) linmin: converged after 4 iterations. - iteration 548: trace = 2.485865979770214 (1.20405e-06% change) - linmin: converged after 2 iterations. - iteration 549: trace = 2.485865972807352 (2.80098e-07% change) - large trace change predicted (9.17409e-07%) - linmin: converged after 9 iterations. - iteration 550: trace = 2.485865950002962 (9.17362e-07% change) - linmin: converged after 13 iterations. - iteration 551: trace = 2.485865934630411 (6.18398e-07% change) - linmin: converged after 13 iterations. - iteration 552: trace = 2.485865925309786 (3.74945e-07% change) + iteration 439: trace = 2.485869236840225 (4.09849e-06% change) linmin: converged after 3 iterations. - iteration 553: trace = 2.485865913881186 (4.59743e-07% change) - linmin: converged after 7 iterations. - iteration 554: trace = 2.485865893445994 (8.22055e-07% change) - linmin: converged after 16 iterations. - iteration 555: trace = 2.48586588884364 (1.85141e-07% change) - large trace change predicted (6.37125e-07%) + iteration 440: trace = 2.485869196291931 (1.63115e-06% change) linmin: converged after 8 iterations. - iteration 556: trace = 2.485865873004923 (6.37151e-07% change) - linmin: converged after 13 iterations. - iteration 557: trace = 2.485865861804665 (4.50558e-07% change) - linmin: converged after 13 iterations. - iteration 558: trace = 2.485865858472451 (1.34046e-07% change) - large trace change predicted (3.23355e-07%) - linmin: converged after 2 iterations. - iteration 559: trace = 2.485865850434236 (3.23357e-07% change) - resetting CG direction... + iteration 441: trace = 2.485869144268834 (2.09275e-06% change) linmin: converged after 3 iterations. - iteration 560: trace = 2.485865844733147 (2.2934e-07% change) - linmin: converged after 2 iterations. - iteration 561: trace = 2.485865842155373 (1.03697e-07% change) - large trace change predicted (4.06423e-07%) + iteration 442: trace = 2.485869067469296 (3.08944e-06% change) linmin: converged after 5 iterations. - iteration 562: trace = 2.485865832052445 (4.06415e-07% change) + iteration 443: trace = 2.485868981808353 (3.44592e-06% change) linmin: converged after 3 iterations. - iteration 563: trace = 2.485865820573998 (4.61748e-07% change) - linmin: converged after 10 iterations. - iteration 564: trace = 2.485865816588163 (1.6034e-07% change) - large trace change predicted (6.88603e-07%) + iteration 444: trace = 2.485868954030866 (1.11742e-06% change) + large trace change predicted (3.91911e-06%) linmin: converged after 3 iterations. - iteration 565: trace = 2.485865799471213 (6.88571e-07% change) + iteration 445: trace = 2.485868856612861 (3.91887e-06% change) + linmin: converged after 15 iterations. + iteration 446: trace = 2.485868772275649 (3.39267e-06% change) linmin: converged after 4 iterations. - iteration 566: trace = 2.485865790408108 (3.64585e-07% change) + iteration 447: trace = 2.485868751913114 (8.19132e-07% change) + large trace change predicted (3.01115e-06%) linmin: converged after 12 iterations. - iteration 567: trace = 2.485865783371182 (2.83077e-07% change) - linmin: converged after 6 iterations. - iteration 568: trace = 2.485865772529407 (4.36137e-07% change) + iteration 448: trace = 2.485868677063381 (3.01101e-06% change) linmin: converged after 3 iterations. - iteration 569: trace = 2.485865761566611 (4.41005e-07% change) - linmin: converged after 15 iterations. - iteration 570: trace = 2.485865756451572 (2.05765e-07% change) - large trace change predicted (8.11517e-07%) - linmin: converged after 17 iterations. - iteration 571: trace = 2.485865736277328 (8.11558e-07% change) + iteration 449: trace = 2.485868609317611 (2.72524e-06% change) + linmin: converged after 7 iterations. + iteration 450: trace = 2.485868586976143 (8.98739e-07% change) + large trace change predicted (3.1566e-06%) + linmin: converged after 4 iterations. + iteration 451: trace = 2.485868508511917 (3.15641e-06% change) linmin: converged after 3 iterations. - iteration 572: trace = 2.485865726603568 (3.89151e-07% change) - linmin: converged after 17 iterations. - iteration 573: trace = 2.485865719003215 (3.05743e-07% change) - large trace change predicted (6.89724e-07%) - linmin: converged after 6 iterations. - iteration 574: trace = 2.485865701856612 (6.89764e-07% change) + iteration 452: trace = 2.485868421396613 (3.50442e-06% change) + linmin: converged after 7 iterations. + iteration 453: trace = 2.485868396682515 (9.94184e-07% change) + large trace change predicted (2.28487e-06%) + linmin: converged after 4 iterations. + iteration 454: trace = 2.485868339887176 (2.28473e-06% change) linmin: converged after 3 iterations. - iteration 575: trace = 2.48586569682056 (2.02587e-07% change) - large trace change predicted (4.2037e-07%) - linmin: converged after 30 iterations. - iteration 576: trace = 2.48586568637046 (4.20381e-07% change) + iteration 455: trace = 2.485868277139749 (2.52417e-06% change) linmin: converged after 3 iterations. - iteration 577: trace = 2.485865676963987 (3.78398e-07% change) + iteration 456: trace = 2.485868260082087 (6.86185e-07% change) + large trace change predicted (2.23399e-06%) linmin: converged after 3 iterations. - iteration 578: trace = 2.485865669449849 (3.02274e-07% change) - linmin: converged after 4 iterations. - iteration 579: trace = 2.485865666637312 (1.13141e-07% change) - large trace change predicted (4.02875e-07%) + iteration 457: trace = 2.485868204549805 (2.23392e-06% change) linmin: converged after 2 iterations. - iteration 580: trace = 2.485865656622382 (4.02875e-07% change) + iteration 458: trace = 2.485868190345705 (5.71394e-07% change) + large trace change predicted (1.43422e-06%) linmin: converged after 7 iterations. - iteration 581: trace = 2.485865649578717 (2.83349e-07% change) + iteration 459: trace = 2.485868154693744 (1.43419e-06% change) + linmin: converged after 2 iterations. + iteration 460: trace = 2.485868113568954 (1.65434e-06% change) linmin: converged after 3 iterations. - iteration 582: trace = 2.485865643796943 (2.32586e-07% change) - linmin: converged after 4 iterations. - iteration 583: trace = 2.485865634275493 (3.83024e-07% change) - linmin: converged after 4 iterations. - iteration 584: trace = 2.485865629936387 (1.74551e-07% change) - linmin: converged after 5 iterations. - iteration 585: trace = 2.485865621585913 (3.35918e-07% change) + iteration 461: trace = 2.485868052838697 (2.44302e-06% change) + linmin: converged after 9 iterations. + iteration 462: trace = 2.485868024608061 (1.13564e-06% change) + large trace change predicted (2.79184e-06%) linmin: converged after 3 iterations. - iteration 586: trace = 2.485865612131176 (3.8034e-07% change) - linmin: converged after 19 iterations. - iteration 587: trace = 2.485865607162968 (1.99858e-07% change) - linmin: converged after 5 iterations. - iteration 588: trace = 2.485865600321092 (2.75231e-07% change) + iteration 463: trace = 2.485867955213272 (2.79157e-06% change) linmin: converged after 3 iterations. - iteration 589: trace = 2.485865592565611 (3.11983e-07% change) - linmin: converged after 4 iterations. - iteration 590: trace = 2.485865582337389 (4.11455e-07% change) - linmin: converged after 4 iterations. - iteration 591: trace = 2.485865579894424 (9.82742e-08% change) - large trace change predicted (4.71046e-07%) - linmin: converged after 4 iterations. - iteration 592: trace = 2.485865568185215 (4.71031e-07% change) - linmin: converged after 4 iterations. - iteration 593: trace = 2.485865561376026 (2.73916e-07% change) - linmin: converged after 10 iterations. - iteration 594: trace = 2.485865557644762 (1.50099e-07% change) - linmin: converged after 4 iterations. - iteration 595: trace = 2.485865551599242 (2.43196e-07% change) - linmin: converged after 10 iterations. - iteration 596: trace = 2.485865547584703 (1.61495e-07% change) - linmin: converged after 4 iterations. - iteration 597: trace = 2.485865545003239 (1.03846e-07% change) - large trace change predicted (2.22066e-07%) - linmin: converged after 11 iterations. - iteration 598: trace = 2.485865539483061 (2.22063e-07% change) - linmin: converged after 4 iterations. - iteration 599: trace = 2.485865537475806 (8.07468e-08% change) - linmin: converged after 10 iterations. - iteration 600: trace = 2.48586553400883 (1.39468e-07% change) - large trace change predicted (3.1433e-07%) - linmin: converged after 29 iterations. - iteration 601: trace = 2.485865526195186 (3.14323e-07% change) - linmin: converged after 6 iterations. - iteration 602: trace = 2.485865524444503 (7.04255e-08% change) - large trace change predicted (3.51691e-07%) - linmin: converged after 29 iterations. - iteration 603: trace = 2.4858655157022 (3.5168e-07% change) + iteration 464: trace = 2.485867930600162 (9.90121e-07% change) linmin: converged after 3 iterations. - iteration 604: trace = 2.485865512036334 (1.47468e-07% change) + iteration 465: trace = 2.485867905940329 (9.92001e-07% change) + large trace change predicted (2.51545e-06%) linmin: converged after 3 iterations. - iteration 605: trace = 2.485865509036929 (1.20658e-07% change) - large trace change predicted (2.49265e-07%) - linmin: converged after 4 iterations. - iteration 606: trace = 2.485865502840596 (2.49263e-07% change) - linmin: converged after 4 iterations. - iteration 607: trace = 2.485865496739603 (2.45427e-07% change) + iteration 466: trace = 2.485867843412731 (2.51532e-06% change) linmin: converged after 3 iterations. - iteration 608: trace = 2.485865493544551 (1.28529e-07% change) - large trace change predicted (3.03295e-07%) + iteration 467: trace = 2.485867828193753 (6.1222e-07% change) + large trace change predicted (2.60304e-06%) linmin: converged after 2 iterations. - iteration 609: trace = 2.485865486005023 (3.03296e-07% change) + iteration 468: trace = 2.485867763484877 (2.60307e-06% change) linmin: converged after 2 iterations. - iteration 610: trace = 2.485865478281951 (3.10679e-07% change) - linmin: converged after 9 iterations. - iteration 611: trace = 2.485865475093133 (1.28278e-07% change) + iteration 469: trace = 2.485867677414178 (3.4624e-06% change) + linmin: converged after 7 iterations. + iteration 470: trace = 2.485867647484201 (1.20401e-06% change) + linmin: converged after 2 iterations. + iteration 471: trace = 2.485867612384524 (1.41197e-06% change) + linmin: converged after 2 iterations. + iteration 472: trace = 2.485867557875955 (2.19274e-06% change) + linmin: converged after 28 iterations. + iteration 473: trace = 2.485867508735794 (1.97678e-06% change) linmin: converged after 3 iterations. - iteration 612: trace = 2.485865470269514 (1.94042e-07% change) + iteration 474: trace = 2.485867498910183 (3.95259e-07% change) + large trace change predicted (1.14312e-06%) linmin: converged after 3 iterations. - iteration 613: trace = 2.485865464656645 (2.25791e-07% change) - linmin: converged after 6 iterations. - iteration 614: trace = 2.485865463457966 (4.82198e-08% change) - large trace change predicted (1.26418e-07%) + iteration 475: trace = 2.485867470493037 (1.14315e-06% change) + linmin: converged after 2 iterations. + iteration 476: trace = 2.48586745257022 (7.20988e-07% change) linmin: converged after 3 iterations. - iteration 615: trace = 2.485865460315384 (1.26418e-07% change) - linmin: converged after 4 iterations. - iteration 616: trace = 2.485865457854387 (9.89996e-08% change) - linmin: converged after 10 iterations. - iteration 617: trace = 2.485865457051189 (3.23106e-08% change) - large trace change predicted (8.13637e-08%) - linmin: converged after 6 iterations. - iteration 618: trace = 2.485865455028589 (8.1364e-08% change) - large trace change predicted (1.66334e-07%) + iteration 477: trace = 2.485867444442424 (3.2696e-07% change) + large trace change predicted (9.60625e-07%) linmin: converged after 6 iterations. - iteration 619: trace = 2.48586545089363 (1.66339e-07% change) - linmin: converged after 7 iterations. - iteration 620: trace = 2.485865449391608 (6.04225e-08% change) - large trace change predicted (1.2434e-07%) - linmin: converged after 3 iterations. - iteration 621: trace = 2.485865446300608 (1.24343e-07% change) - linmin: converged after 11 iterations. - iteration 622: trace = 2.485865443530234 (1.11445e-07% change) - linmin: converged after 4 iterations. - iteration 623: trace = 2.485865442437396 (4.3962e-08% change) - large trace change predicted (1.5659e-07%) - linmin: converged after 9 iterations. - iteration 624: trace = 2.485865438544738 (1.56592e-07% change) + iteration 478: trace = 2.485867420561048 (9.60686e-07% change) + linmin: converged after 5 iterations. + iteration 479: trace = 2.48586740544547 (6.0806e-07% change) + linmin: converged after 5 iterations. + iteration 480: trace = 2.485867388689294 (6.74058e-07% change) linmin: converged after 5 iterations. - iteration 625: trace = 2.485865434233767 (1.73419e-07% change) + iteration 481: trace = 2.48586736548929 (9.33276e-07% change) linmin: converged after 3 iterations. - iteration 626: trace = 2.485865432921712 (5.27806e-08% change) - large trace change predicted (1.31241e-07%) - linmin: converged after 4 iterations. - iteration 627: trace = 2.485865429659247 (1.31241e-07% change) - linmin: converged after 10 iterations. - iteration 628: trace = 2.485865424074237 (2.24671e-07% change) - linmin: converged after 4 iterations. - iteration 629: trace = 2.4858654189613 (2.0568e-07% change) - resetting CG direction... - linmin: converged after 9 iterations. - iteration 630: trace = 2.485865414673208 (1.72499e-07% change) - linmin: converged after 6 iterations. - iteration 631: trace = 2.485865410031079 (1.86741e-07% change) + iteration 482: trace = 2.485867341278472 (9.73938e-07% change) linmin: converged after 3 iterations. - iteration 632: trace = 2.485865407406708 (1.05572e-07% change) + iteration 483: trace = 2.485867316127593 (1.01175e-06% change) linmin: converged after 2 iterations. - iteration 633: trace = 2.485865406361928 (4.20288e-08% change) - large trace change predicted (1.56999e-07%) - linmin: converged after 10 iterations. - iteration 634: trace = 2.48586540245919 (1.56997e-07% change) - linmin: converged after 6 iterations. - iteration 635: trace = 2.48586540108244 (5.53831e-08% change) - linmin: converged after 4 iterations. - iteration 636: trace = 2.485865398698173 (9.5913e-08% change) - linmin: converged after 10 iterations. - iteration 637: trace = 2.485865396559737 (8.60238e-08% change) - linmin: converged after 4 iterations. - iteration 638: trace = 2.485865395319194 (4.99039e-08% change) - linmin: converged after 5 iterations. - iteration 639: trace = 2.485865393100004 (8.92723e-08% change) - linmin: converged after 6 iterations. - iteration 640: trace = 2.485865391050644 (8.24405e-08% change) - linmin: converged after 4 iterations. - iteration 641: trace = 2.485865390159427 (3.58514e-08% change) - large trace change predicted (7.74287e-08%) - linmin: converged after 8 iterations. - iteration 642: trace = 2.485865388234679 (7.74277e-08% change) - linmin: converged after 4 iterations. - iteration 643: trace = 2.485865386666726 (6.30747e-08% change) - linmin: converged after 4 iterations. - iteration 644: trace = 2.485865385934395 (2.94598e-08% change) - large trace change predicted (8.40095e-08%) - linmin: converged after 13 iterations. - iteration 645: trace = 2.485865383846058 (8.40084e-08% change) - linmin: converged after 10 iterations. - iteration 646: trace = 2.485865380374393 (1.39656e-07% change) - linmin: converged after 3 iterations. - iteration 647: trace = 2.48586537917629 (4.81966e-08% change) - large trace change predicted (1.63278e-07%) - linmin: converged after 4 iterations. - iteration 648: trace = 2.48586537511743 (1.63278e-07% change) - linmin: converged after 4 iterations. - iteration 649: trace = 2.485865371056728 (1.63352e-07% change) + iteration 484: trace = 2.485867279386939 (1.47798e-06% change) + linmin: converged after 20 iterations. + iteration 485: trace = 2.485867271388184 (3.21769e-07% change) + large trace change predicted (1.4471e-06%) + linmin: converged after 2 iterations. + iteration 486: trace = 2.485867235415051 (1.44711e-06% change) + linmin: converged after 2 iterations. + iteration 487: trace = 2.485867210396938 (1.00641e-06% change) linmin: converged after 5 iterations. - iteration 650: trace = 2.485865369229074 (7.35218e-08% change) - large trace change predicted (1.70757e-07%) - linmin: converged after 4 iterations. - iteration 651: trace = 2.485865364984301 (1.70756e-07% change) - linmin: converged after 4 iterations. - iteration 652: trace = 2.48586536070935 (1.7197e-07% change) - linmin: converged after 4 iterations. - iteration 653: trace = 2.485865359806858 (3.63049e-08% change) - large trace change predicted (9.38812e-08%) + iteration 488: trace = 2.485867198562228 (4.7608e-07% change) + large trace change predicted (2.54286e-06%) linmin: converged after 3 iterations. - iteration 654: trace = 2.485865357473095 (9.38813e-08% change) - linmin: converged after 7 iterations. - iteration 655: trace = 2.485865354642338 (1.13874e-07% change) + iteration 489: trace = 2.485867135352778 (2.54275e-06% change) + resetting CG direction... linmin: converged after 4 iterations. - iteration 656: trace = 2.485865353927379 (2.8761e-08% change) - large trace change predicted (1.40748e-07%) + iteration 490: trace = 2.485867086376257 (1.9702e-06% change) linmin: converged after 3 iterations. - iteration 657: trace = 2.485865350428529 (1.4075e-07% change) - linmin: converged after 12 iterations. - iteration 658: trace = 2.485865347466102 (1.19171e-07% change) - linmin: converged after 16 iterations. - iteration 659: trace = 2.485865346417917 (4.21658e-08% change) - large trace change predicted (9.11613e-08%) - linmin: converged after 4 iterations. - iteration 660: trace = 2.485865344151758 (9.11618e-08% change) + iteration 491: trace = 2.485867075269284 (4.46805e-07% change) + large trace change predicted (1.08297e-06%) linmin: converged after 2 iterations. - iteration 661: trace = 2.485865342060137 (8.41406e-08% change) + iteration 492: trace = 2.485867048348124 (1.08297e-06% change) linmin: converged after 9 iterations. - iteration 662: trace = 2.485865341421666 (2.56841e-08% change) - large trace change predicted (8.67118e-08%) - linmin: converged after 4 iterations. - iteration 663: trace = 2.485865339266117 (8.67122e-08% change) - linmin: converged after 4 iterations. - iteration 664: trace = 2.485865336522592 (1.10365e-07% change) + iteration 493: trace = 2.485867024757543 (9.48988e-07% change) linmin: converged after 3 iterations. - iteration 665: trace = 2.485865335180294 (5.39972e-08% change) - linmin: converged after 5 iterations. - iteration 666: trace = 2.485865332796258 (9.59037e-08% change) + iteration 494: trace = 2.485867016677036 (3.25058e-07% change) + large trace change predicted (1.11763e-06%) + linmin: converged after 20 iterations. + iteration 495: trace = 2.485866988895621 (1.11757e-06% change) linmin: converged after 13 iterations. - iteration 667: trace = 2.485865329674657 (1.25574e-07% change) - linmin: converged after 6 iterations. - iteration 668: trace = 2.485865328824774 (3.41886e-08% change) - large trace change predicted (1.80662e-07%) - linmin: converged after 4 iterations. - iteration 669: trace = 2.485865324333723 (1.80663e-07% change) - linmin: converged after 5 iterations. - iteration 670: trace = 2.485865321742925 (1.04221e-07% change) - linmin: converged after 6 iterations. - iteration 671: trace = 2.485865320592151 (4.62927e-08% change) + iteration 496: trace = 2.485866972954426 (6.41273e-07% change) + linmin: converged after 21 iterations. + iteration 497: trace = 2.485866959005217 (5.61141e-07% change) linmin: converged after 4 iterations. - iteration 672: trace = 2.48586531844413 (8.64094e-08% change) + iteration 498: trace = 2.485866935535127 (9.44141e-07% change) + linmin: converged after 2 iterations. + iteration 499: trace = 2.485866924370843 (4.4911e-07% change) linmin: converged after 4 iterations. - iteration 673: trace = 2.48586531527262 (1.27582e-07% change) - linmin: converged after 18 iterations. - iteration 674: trace = 2.485865314729993 (2.18285e-08% change) - large trace change predicted (1.36886e-07%) - linmin: converged after 5 iterations. - iteration 675: trace = 2.485865311327138 (1.36888e-07% change) + iteration 500: trace = 2.485866909659042 (5.91818e-07% change) linmin: converged after 5 iterations. - iteration 676: trace = 2.485865309542765 (7.17808e-08% change) - linmin: converged after 19 iterations. - iteration 677: trace = 2.485865308831797 (2.86004e-08% change) - large trace change predicted (1.20553e-07%) - linmin: converged after 5 iterations. - iteration 678: trace = 2.485865305835011 (1.20553e-07% change) - linmin: converged after 8 iterations. - iteration 679: trace = 2.485865303591792 (9.0239e-08% change) - linmin: converged after 6 iterations. - iteration 680: trace = 2.485865302919009 (2.70643e-08% change) - large trace change predicted (6.50814e-08%) - linmin: converged after 11 iterations. - iteration 681: trace = 2.485865301301208 (6.508e-08% change) - linmin: converged after 7 iterations. - iteration 682: trace = 2.485865299454421 (7.42915e-08% change) + iteration 501: trace = 2.485866891478742 (7.31346e-07% change) linmin: converged after 5 iterations. - iteration 683: trace = 2.485865298778789 (2.71789e-08% change) - large trace change predicted (9.57574e-08%) - linmin: converged after 7 iterations. - iteration 684: trace = 2.485865296398433 (9.57556e-08% change) - linmin: converged after 4 iterations. - iteration 685: trace = 2.485865294618838 (7.15885e-08% change) - linmin: converged after 6 iterations. - iteration 686: trace = 2.485865292437984 (8.77302e-08% change) - linmin: converged after 4 iterations. - iteration 687: trace = 2.485865289262637 (1.27736e-07% change) - linmin: converged after 22 iterations. - iteration 688: trace = 2.485865287396805 (7.50576e-08% change) + iteration 502: trace = 2.485866885828272 (2.27304e-07% change) + linmin: converged after 23 iterations. + iteration 503: trace = 2.485866874861955 (4.41147e-07% change) + large trace change predicted (8.9936e-07%) + linmin: converged after 29 iterations. + iteration 504: trace = 2.4858668525058 (8.9933e-07% change) linmin: converged after 3 iterations. - iteration 689: trace = 2.485865285632241 (7.09839e-08% change) - linmin: converged after 5 iterations. - iteration 690: trace = 2.485865283336916 (9.23351e-08% change) - linmin: converged after 4 iterations. - iteration 691: trace = 2.485865281778118 (6.27064e-08% change) - linmin: converged after 4 iterations. - iteration 692: trace = 2.485865280724808 (4.2372e-08% change) - linmin: converged after 8 iterations. - iteration 693: trace = 2.485865279314348 (5.67392e-08% change) - linmin: converged after 24 iterations. - iteration 694: trace = 2.485865277591477 (6.93067e-08% change) - linmin: converged after 4 iterations. - iteration 695: trace = 2.485865276676544 (3.68054e-08% change) - large trace change predicted (8.90046e-08%) + iteration 505: trace = 2.485866845301765 (2.898e-07% change) + large trace change predicted (1.26533e-06%) linmin: converged after 3 iterations. - iteration 696: trace = 2.485865274463961 (8.90065e-08% change) - linmin: converged after 4 iterations. - iteration 697: trace = 2.485865273159759 (5.24647e-08% change) - linmin: converged after 13 iterations. - iteration 698: trace = 2.485865272743319 (1.67523e-08% change) - linmin: converged after 5 iterations. - iteration 699: trace = 2.485865272023116 (2.89719e-08% change) - resetting CG direction... + iteration 506: trace = 2.485866813848112 (1.2653e-06% change) linmin: converged after 3 iterations. - iteration 700: trace = 2.485865271415558 (2.44405e-08% change) - linmin: converged after 4 iterations. - iteration 701: trace = 2.485865271117603 (1.1986e-08% change) - large trace change predicted (5.14264e-08%) - linmin: converged after 4 iterations. - iteration 702: trace = 2.485865269839217 (5.14262e-08% change) - linmin: converged after 39 iterations. - iteration 703: trace = 2.485865268744354 (4.40435e-08% change) - linmin: converged after 4 iterations. - iteration 704: trace = 2.485865267852897 (3.5861e-08% change) - linmin: converged after 4 iterations. - iteration 705: trace = 2.485865266289203 (6.29034e-08% change) - linmin: converged after 31 iterations. - iteration 706: trace = 2.485865265494137 (3.19835e-08% change) - linmin: converged after 4 iterations. - iteration 707: trace = 2.485865264658684 (3.36082e-08% change) - large trace change predicted (7.3697e-08%) - linmin: converged after 4 iterations. - iteration 708: trace = 2.485865262826664 (7.36975e-08% change) - linmin: converged after 11 iterations. - iteration 709: trace = 2.485865262458677 (1.48032e-08% change) - large trace change predicted (6.33553e-08%) - linmin: converged after 4 iterations. - iteration 710: trace = 2.485865260883734 (6.33559e-08% change) - linmin: converged after 5 iterations. - iteration 711: trace = 2.48586525897413 (7.68185e-08% change) - linmin: converged after 4 iterations. - iteration 712: trace = 2.48586525712356 (7.44437e-08% change) - linmin: converged after 4 iterations. - iteration 713: trace = 2.485865256513271 (2.45504e-08% change) - large trace change predicted (7.99782e-08%) + iteration 507: trace = 2.485866784066789 (1.19803e-06% change) + linmin: converged after 2 iterations. + iteration 508: trace = 2.485866769990252 (5.66263e-07% change) + large trace change predicted (1.24028e-06%) + linmin: converged after 8 iterations. + iteration 509: trace = 2.485866739159174 (1.24025e-06% change) + linmin: converged after 18 iterations. + iteration 510: trace = 2.48586670020315 (1.5671e-06% change) linmin: converged after 12 iterations. - iteration 714: trace = 2.485865254525071 (7.99802e-08% change) - linmin: converged after 24 iterations. - iteration 715: trace = 2.485865253806515 (2.89057e-08% change) - linmin: converged after 4 iterations. - iteration 716: trace = 2.485865252938782 (3.49067e-08% change) + iteration 511: trace = 2.485866685351966 (5.97425e-07% change) + large trace change predicted (1.55389e-06%) linmin: converged after 3 iterations. - iteration 717: trace = 2.485865251860567 (4.33738e-08% change) - linmin: converged after 2 iterations. - iteration 718: trace = 2.485865251188401 (2.70395e-08% change) - linmin: converged after 5 iterations. - iteration 719: trace = 2.485865250555583 (2.54566e-08% change) - linmin: converged after 4 iterations. - iteration 720: trace = 2.485865249319797 (4.97125e-08% change) - linmin: converged after 26 iterations. - iteration 721: trace = 2.48586524848038 (3.37676e-08% change) + iteration 512: trace = 2.485866646724873 (1.55387e-06% change) linmin: converged after 3 iterations. - iteration 722: trace = 2.485865248003488 (1.91842e-08% change) - large trace change predicted (4.66138e-08%) - linmin: converged after 24 iterations. - iteration 723: trace = 2.485865246844736 (4.66136e-08% change) - linmin: converged after 4 iterations. - iteration 724: trace = 2.48586524597349 (3.5048e-08% change) - linmin: converged after 4 iterations. - iteration 725: trace = 2.485865245063576 (3.66035e-08% change) + iteration 513: trace = 2.485866620197568 (1.06713e-06% change) linmin: converged after 3 iterations. - iteration 726: trace = 2.485865244054649 (4.05865e-08% change) - linmin: converged after 4 iterations. - iteration 727: trace = 2.485865243725575 (1.32378e-08% change) - large trace change predicted (3.13246e-08%) - linmin: converged after 6 iterations. - iteration 728: trace = 2.485865242946899 (3.13242e-08% change) - linmin: converged after 10 iterations. - iteration 729: trace = 2.485865241719817 (4.93623e-08% change) - linmin: converged after 6 iterations. - iteration 730: trace = 2.485865240670502 (4.22113e-08% change) + iteration 514: trace = 2.485866612795156 (2.9778e-07% change) + large trace change predicted (9.53597e-07%) linmin: converged after 3 iterations. - iteration 731: trace = 2.485865240223687 (1.79742e-08% change) - large trace change predicted (3.89778e-08%) - linmin: converged after 5 iterations. - iteration 732: trace = 2.485865239254756 (3.89776e-08% change) + iteration 515: trace = 2.485866589089862 (9.53603e-07% change) linmin: converged after 5 iterations. - iteration 733: trace = 2.485865238307129 (3.81206e-08% change) - linmin: converged after 4 iterations. - iteration 734: trace = 2.485865237943885 (1.46124e-08% change) - large trace change predicted (3.65838e-08%) - linmin: converged after 26 iterations. - iteration 735: trace = 2.485865237034468 (3.65835e-08% change) - linmin: converged after 24 iterations. - iteration 736: trace = 2.485865236627105 (1.63872e-08% change) - linmin: converged after 16 iterations. - iteration 737: trace = 2.485865236250152 (1.51639e-08% change) - linmin: converged after 4 iterations. - iteration 738: trace = 2.485865235607335 (2.58589e-08% change) - linmin: converged after 4 iterations. - iteration 739: trace = 2.485865235096384 (2.05543e-08% change) - linmin: converged after 6 iterations. - iteration 740: trace = 2.485865234862481 (9.40931e-09% change) - large trace change predicted (3.93846e-08%) - linmin: converged after 4 iterations. - iteration 741: trace = 2.485865233883437 (3.93845e-08% change) - linmin: converged after 4 iterations. - iteration 742: trace = 2.485865233228887 (2.63308e-08% change) - linmin: converged after 8 iterations. - iteration 743: trace = 2.485865232804265 (1.70815e-08% change) - linmin: converged after 6 iterations. - iteration 744: trace = 2.485865232250929 (2.22593e-08% change) + iteration 516: trace = 2.485866565506186 (9.4871e-07% change) linmin: converged after 3 iterations. - iteration 745: trace = 2.485865231732347 (2.08612e-08% change) - linmin: converged after 4 iterations. - iteration 746: trace = 2.485865231288686 (1.78473e-08% change) - large trace change predicted (3.58944e-08%) - linmin: converged after 9 iterations. - iteration 747: trace = 2.485865230396402 (3.58943e-08% change) - linmin: converged after 4 iterations. - iteration 748: trace = 2.485865229966914 (1.72772e-08% change) + iteration 517: trace = 2.485866556166184 (3.75724e-07% change) + large trace change predicted (1.38231e-06%) + linmin: converged after 6 iterations. + iteration 518: trace = 2.485866521802553 (1.38236e-06% change) linmin: converged after 5 iterations. - iteration 749: trace = 2.485865229389344 (2.32342e-08% change) - linmin: converged after 34 iterations. - iteration 750: trace = 2.485865228489613 (3.61939e-08% change) + iteration 519: trace = 2.485866497258142 (9.87358e-07% change) + linmin: converged after 2 iterations. + iteration 520: trace = 2.485866488033576 (3.71081e-07% change) + linmin: converged after 2 iterations. + iteration 521: trace = 2.485866477366355 (4.29115e-07% change) + linmin: converged after 2 iterations. + iteration 522: trace = 2.485866456397267 (8.43532e-07% change) linmin: converged after 4 iterations. - iteration 751: trace = 2.485865228039602 (1.81028e-08% change) + iteration 523: trace = 2.485866448630353 (3.12443e-07% change) + linmin: converged after 18 iterations. + iteration 524: trace = 2.485866433988111 (5.8902e-07% change) linmin: converged after 3 iterations. - iteration 752: trace = 2.485865227351344 (2.76869e-08% change) - linmin: converged after 10 iterations. - iteration 753: trace = 2.485865226803621 (2.20335e-08% change) - linmin: converged after 20 iterations. - iteration 754: trace = 2.485865226590944 (8.55543e-09% change) - linmin: converged after 5 iterations. - iteration 755: trace = 2.485865226384067 (8.32212e-09% change) - linmin: converged after 4 iterations. - iteration 756: trace = 2.485865226057106 (1.31528e-08% change) - linmin: converged after 6 iterations. - iteration 757: trace = 2.485865225762772 (1.18403e-08% change) - linmin: converged after 4 iterations. - iteration 758: trace = 2.485865225642683 (4.83087e-09% change) - large trace change predicted (1.46655e-08%) - linmin: converged after 4 iterations. - iteration 759: trace = 2.485865225278115 (1.46657e-08% change) - linmin: converged after 12 iterations. - iteration 760: trace = 2.485865224985111 (1.17868e-08% change) - linmin: converged after 26 iterations. - iteration 761: trace = 2.485865224863446 (4.89425e-09% change) - large trace change predicted (1.99094e-08%) - linmin: converged after 4 iterations. - iteration 762: trace = 2.48586522436852 (1.99096e-08% change) - linmin: converged after 2 iterations. - iteration 763: trace = 2.485865223949761 (1.68456e-08% change) + iteration 525: trace = 2.485866410568739 (9.42101e-07% change) linmin: converged after 7 iterations. - iteration 764: trace = 2.485865223741473 (8.37888e-09% change) - large trace change predicted (2.27835e-08%) + iteration 526: trace = 2.485866400286769 (4.13617e-07% change) + large trace change predicted (1.20885e-06%) linmin: converged after 2 iterations. - iteration 765: trace = 2.485865223175105 (2.27835e-08% change) - linmin: converged after 3 iterations. - iteration 766: trace = 2.48586522293947 (9.479e-09% change) + iteration 527: trace = 2.485866370236344 (1.20885e-06% change) + linmin: converged after 9 iterations. + iteration 528: trace = 2.485866334090272 (1.45406e-06% change) linmin: converged after 3 iterations. - iteration 767: trace = 2.485865222696591 (9.77039e-09% change) - large trace change predicted (2.52911e-08%) + iteration 529: trace = 2.485866325614681 (3.40951e-07% change) + large trace change predicted (1.09059e-06%) + linmin: converged after 2 iterations. + iteration 530: trace = 2.485866298503908 (1.0906e-06% change) + linmin: converged after 2 iterations. + iteration 531: trace = 2.485866280884451 (7.08785e-07% change) linmin: converged after 27 iterations. - iteration 768: trace = 2.485865222067885 (2.52912e-08% change) + iteration 532: trace = 2.485866273430296 (2.99861e-07% change) + large trace change predicted (1.05826e-06%) linmin: converged after 4 iterations. - iteration 769: trace = 2.485865221437768 (2.5348e-08% change) - resetting CG direction... - linmin: converged after 22 iterations. - iteration 770: trace = 2.485865220865312 (2.30284e-08% change) - linmin: converged after 12 iterations. - iteration 771: trace = 2.485865220310167 (2.23321e-08% change) - linmin: converged after 5 iterations. - iteration 772: trace = 2.485865220107325 (8.1598e-09% change) + iteration 533: trace = 2.485866247122976 (1.05828e-06% change) linmin: converged after 3 iterations. - iteration 773: trace = 2.485865219903554 (8.1972e-09% change) - large trace change predicted (1.74089e-08%) - linmin: converged after 4 iterations. - iteration 774: trace = 2.485865219470791 (1.74089e-08% change) - linmin: converged after 3 iterations. - iteration 775: trace = 2.485865219288953 (7.3149e-09% change) - linmin: converged after 4 iterations. - iteration 776: trace = 2.485865219062259 (9.11933e-09% change) - linmin: converged after 7 iterations. - iteration 777: trace = 2.485865218810099 (1.01437e-08% change) - linmin: converged after 4 iterations. - iteration 778: trace = 2.485865218608225 (8.12088e-09% change) - linmin: converged after 4 iterations. - iteration 779: trace = 2.485865218348002 (1.04681e-08% change) - linmin: converged after 8 iterations. - iteration 780: trace = 2.485865218041855 (1.23155e-08% change) - linmin: converged after 20 iterations. - iteration 781: trace = 2.485865217959228 (3.32385e-09% change) - large trace change predicted (9.75258e-09%) - linmin: converged after 4 iterations. - iteration 782: trace = 2.485865217716791 (9.75265e-09% change) - linmin: converged after 7 iterations. - iteration 783: trace = 2.4858652175314 (7.4578e-09% change) - linmin: converged after 20 iterations. - iteration 784: trace = 2.485865217452788 (3.16237e-09% change) - large trace change predicted (1.04855e-08%) - linmin: converged after 4 iterations. - iteration 785: trace = 2.485865217192133 (1.04855e-08% change) + iteration 534: trace = 2.485866233945226 (5.30107e-07% change) linmin: converged after 19 iterations. - iteration 786: trace = 2.485865216834291 (1.4395e-08% change) - linmin: converged after 3 iterations. - iteration 787: trace = 2.485865216734612 (4.00986e-09% change) - large trace change predicted (2.1219e-08%) - linmin: converged after 4 iterations. - iteration 788: trace = 2.485865216207141 (2.12188e-08% change) - linmin: converged after 4 iterations. - iteration 789: trace = 2.485865215795744 (1.65494e-08% change) + iteration 535: trace = 2.485866217332187 (6.683e-07% change) linmin: converged after 2 iterations. - iteration 790: trace = 2.485865215593066 (8.15323e-09% change) - large trace change predicted (2.28273e-08%) - linmin: converged after 31 iterations. - iteration 791: trace = 2.485865215025612 (2.28272e-08% change) - linmin: converged after 4 iterations. - iteration 792: trace = 2.485865214614533 (1.65366e-08% change) - linmin: converged after 5 iterations. - iteration 793: trace = 2.485865214494209 (4.84032e-09% change) - large trace change predicted (1.01532e-08%) - linmin: converged after 13 iterations. - iteration 794: trace = 2.485865214241815 (1.01532e-08% change) - linmin: converged after 6 iterations. - iteration 795: trace = 2.485865213852176 (1.56742e-08% change) - linmin: converged after 18 iterations. - iteration 796: trace = 2.485865213720877 (5.28184e-09% change) - large trace change predicted (1.39191e-08%) - linmin: converged after 7 iterations. - iteration 797: trace = 2.485865213374864 (1.39192e-08% change) - linmin: converged after 4 iterations. - iteration 798: trace = 2.485865212945815 (1.72595e-08% change) - linmin: converged after 4 iterations. - iteration 799: trace = 2.48586521266099 (1.14578e-08% change) - linmin: converged after 13 iterations. - iteration 800: trace = 2.485865212567412 (3.7644e-09% change) - large trace change predicted (1.12588e-08%) - linmin: converged after 4 iterations. - iteration 801: trace = 2.485865212287532 (1.12588e-08% change) - linmin: converged after 18 iterations. - iteration 802: trace = 2.485865212026706 (1.04924e-08% change) + iteration 536: trace = 2.485866191023871 (1.05832e-06% change) linmin: converged after 5 iterations. - iteration 803: trace = 2.485865211904198 (4.92819e-09% change) + iteration 537: trace = 2.485866179723982 (4.54565e-07% change) linmin: converged after 2 iterations. - iteration 804: trace = 2.485865211667466 (9.52312e-09% change) - linmin: converged after 4 iterations. - iteration 805: trace = 2.485865211201899 (1.87286e-08% change) - linmin: converged after 16 iterations. - iteration 806: trace = 2.485865211081857 (4.82897e-09% change) - large trace change predicted (1.51917e-08%) - linmin: converged after 9 iterations. - iteration 807: trace = 2.485865210704213 (1.51917e-08% change) - linmin: converged after 12 iterations. - iteration 808: trace = 2.485865210293881 (1.65066e-08% change) - linmin: converged after 4 iterations. - iteration 809: trace = 2.485865210138886 (6.23504e-09% change) - large trace change predicted (1.39669e-08%) - linmin: converged after 2 iterations. - iteration 810: trace = 2.485865209791687 (1.39669e-08% change) - linmin: converged after 22 iterations. - iteration 811: trace = 2.485865209588846 (8.15979e-09% change) - linmin: converged after 4 iterations. - iteration 812: trace = 2.48586520947013 (4.77565e-09% change) - large trace change predicted (1.35224e-08%) - linmin: converged after 12 iterations. - iteration 813: trace = 2.485865209133982 (1.35224e-08% change) - linmin: converged after 38 iterations. - iteration 814: trace = 2.485865208976297 (6.34326e-09% change) - linmin: converged after 24 iterations. - iteration 815: trace = 2.485865208786199 (7.64718e-09% change) + iteration 538: trace = 2.485866163215495 (6.64094e-07% change) linmin: converged after 3 iterations. - iteration 816: trace = 2.485865208499631 (1.15279e-08% change) + iteration 539: trace = 2.485866143181349 (8.05922e-07% change) + linmin: converged after 6 iterations. + iteration 540: trace = 2.485866132579971 (4.26466e-07% change) linmin: converged after 3 iterations. - iteration 817: trace = 2.485865208337084 (6.53884e-09% change) - linmin: converged after 8 iterations. - iteration 818: trace = 2.48586520806555 (1.09231e-08% change) + iteration 541: trace = 2.485866119855751 (5.11863e-07% change) + linmin: converged after 3 iterations. + iteration 542: trace = 2.485866102372316 (7.03314e-07% change) linmin: converged after 4 iterations. - iteration 819: trace = 2.485865207759708 (1.23032e-08% change) - linmin: converged after 18 iterations. - iteration 820: trace = 2.485865207673526 (3.46689e-09% change) - large trace change predicted (9.07615e-09%) - linmin: converged after 12 iterations. - iteration 821: trace = 2.485865207447906 (9.07611e-09% change) - linmin: converged after 16 iterations. - iteration 822: trace = 2.485865207210614 (9.54565e-09% change) - linmin: converged after 17 iterations. - iteration 823: trace = 2.485865207067391 (5.76149e-09% change) - linmin: converged after 7 iterations. - iteration 824: trace = 2.485865206864954 (8.14355e-09% change) + iteration 543: trace = 2.485866084286854 (7.27532e-07% change) linmin: converged after 6 iterations. - iteration 825: trace = 2.48586520646312 (1.61647e-08% change) - linmin: converged after 23 iterations. - iteration 826: trace = 2.485865206110911 (1.41685e-08% change) - linmin: converged after 17 iterations. - iteration 827: trace = 2.485865205972392 (5.57226e-09% change) - large trace change predicted (1.2491e-08%) - linmin: converged after 4 iterations. - iteration 828: trace = 2.485865205661884 (1.2491e-08% change) + iteration 544: trace = 2.485866079198707 (2.04683e-07% change) + large trace change predicted (1.10793e-06%) linmin: converged after 4 iterations. - iteration 829: trace = 2.485865205349487 (1.25669e-08% change) - linmin: converged after 4 iterations. - iteration 830: trace = 2.48586520529418 (2.22485e-09% change) - large trace change predicted (1.08175e-08%) - linmin: converged after 4 iterations. - iteration 831: trace = 2.485865205025275 (1.08174e-08% change) - linmin: converged after 4 iterations. - iteration 832: trace = 2.485865204878929 (5.88715e-09% change) - linmin: converged after 21 iterations. - iteration 833: trace = 2.485865204765346 (4.56913e-09% change) - linmin: converged after 6 iterations. - iteration 834: trace = 2.485865204589559 (7.07148e-09% change) + iteration 545: trace = 2.485866051659467 (1.10783e-06% change) + linmin: converged after 3 iterations. + iteration 546: trace = 2.485866029314791 (8.98869e-07% change) linmin: converged after 5 iterations. - iteration 835: trace = 2.485865204344899 (9.84206e-09% change) - linmin: converged after 4 iterations. - iteration 836: trace = 2.485865204291943 (2.13026e-09% change) - large trace change predicted (6.47316e-09%) + iteration 547: trace = 2.485866021146149 (3.28603e-07% change) + large trace change predicted (9.63921e-07%) linmin: converged after 3 iterations. - iteration 837: trace = 2.485865204131031 (6.4731e-09% change) - linmin: converged after 17 iterations. - iteration 838: trace = 2.485865204034483 (3.88387e-09% change) - linmin: converged after 15 iterations. - iteration 839: trace = 2.485865203980557 (2.16931e-09% change) - resetting CG direction... - linmin: converged after 15 iterations. - iteration 840: trace = 2.485865203928408 (2.09782e-09% change) - linmin: converged after 19 iterations. - iteration 841: trace = 2.48586520383685 (3.68316e-09% change) - linmin: converged after 4 iterations. - iteration 842: trace = 2.485865203699446 (5.52739e-09% change) - linmin: converged after 22 iterations. - iteration 843: trace = 2.485865203646733 (2.12051e-09% change) - large trace change predicted (8.22698e-09%) + iteration 548: trace = 2.485865997185365 (9.63881e-07% change) linmin: converged after 3 iterations. - iteration 844: trace = 2.485865203442224 (8.2269e-09% change) - linmin: converged after 4 iterations. - iteration 845: trace = 2.485865203352047 (3.62758e-09% change) - linmin: converged after 27 iterations. - iteration 846: trace = 2.485865203230271 (4.89872e-09% change) + iteration 549: trace = 2.485865973485538 (9.53383e-07% change) linmin: converged after 6 iterations. - iteration 847: trace = 2.485865203104849 (5.04542e-09% change) - linmin: converged after 14 iterations. - iteration 848: trace = 2.485865203052855 (2.09158e-09% change) - large trace change predicted (7.5325e-09%) + iteration 550: trace = 2.485865964535361 (3.60043e-07% change) linmin: converged after 5 iterations. - iteration 849: trace = 2.48586520286561 (7.5324e-09% change) - linmin: converged after 2 iterations. - iteration 850: trace = 2.485865202654902 (8.47622e-09% change) - linmin: converged after 23 iterations. - iteration 851: trace = 2.485865202588483 (2.67186e-09% change) - large trace change predicted (9.92203e-09%) - linmin: converged after 4 iterations. - iteration 852: trace = 2.485865202341836 (9.922e-09% change) - linmin: converged after 19 iterations. - iteration 853: trace = 2.48586520214702 (7.83692e-09% change) - linmin: converged after 19 iterations. - iteration 854: trace = 2.485865202073664 (2.95096e-09% change) - large trace change predicted (9.42943e-09%) - linmin: converged after 6 iterations. - iteration 855: trace = 2.485865201839256 (9.4296e-09% change) + iteration 551: trace = 2.485865947567721 (6.82565e-07% change) linmin: converged after 4 iterations. - iteration 856: trace = 2.485865201700119 (5.59713e-09% change) + iteration 552: trace = 2.485865933556028 (5.63654e-07% change) + linmin: converged after 3 iterations. + iteration 553: trace = 2.48586592984409 (1.49322e-07% change) + large trace change predicted (8.05328e-07%) linmin: converged after 2 iterations. - iteration 857: trace = 2.485865201646803 (2.14477e-09% change) - large trace change predicted (5.53964e-09%) - linmin: converged after 4 iterations. - iteration 858: trace = 2.485865201509094 (5.53968e-09% change) - linmin: converged after 22 iterations. - iteration 859: trace = 2.485865201369287 (5.62409e-09% change) - linmin: converged after 18 iterations. - iteration 860: trace = 2.485865201238217 (5.2726e-09% change) - linmin: converged after 8 iterations. - iteration 861: trace = 2.485865201183991 (2.18137e-09% change) - large trace change predicted (7.48986e-09%) - linmin: converged after 21 iterations. - iteration 862: trace = 2.485865200997803 (7.48987e-09% change) - linmin: converged after 27 iterations. - iteration 863: trace = 2.485865200916401 (3.27461e-09% change) - linmin: converged after 13 iterations. - iteration 864: trace = 2.485865200850357 (2.65678e-09% change) - linmin: converged after 36 iterations. - iteration 865: trace = 2.485865200719296 (5.27225e-09% change) + iteration 554: trace = 2.485865909824562 (8.05334e-07% change) linmin: converged after 6 iterations. - iteration 866: trace = 2.485865200655839 (2.55272e-09% change) - linmin: converged after 25 iterations. - iteration 867: trace = 2.485865200571492 (3.39304e-09% change) + iteration 555: trace = 2.485865900880283 (3.59805e-07% change) + linmin: converged after 7 iterations. + iteration 556: trace = 2.485865885272638 (6.27855e-07% change) linmin: converged after 4 iterations. - iteration 868: trace = 2.485865200458637 (4.53987e-09% change) - linmin: converged after 3 iterations. - iteration 869: trace = 2.485865200338493 (4.8331e-09% change) - linmin: converged after 9 iterations. - iteration 870: trace = 2.485865200280188 (2.34548e-09% change) - large trace change predicted (5.40977e-09%) - linmin: converged after 12 iterations. - iteration 871: trace = 2.485865200145709 (5.40973e-09% change) - linmin: converged after 13 iterations. - iteration 872: trace = 2.485865200015914 (5.22133e-09% change) + iteration 557: trace = 2.485865873912791 (4.56977e-07% change) + linmin: converged after 6 iterations. + iteration 558: trace = 2.485865870646641 (1.31389e-07% change) + large trace change predicted (2.82291e-07%) linmin: converged after 4 iterations. - iteration 873: trace = 2.485865199974659 (1.65957e-09% change) - large trace change predicted (4.14224e-09%) + iteration 559: trace = 2.485865863629221 (2.82293e-07% change) + resetting CG direction... + linmin: converged after 2 iterations. + iteration 560: trace = 2.485865857925886 (2.29431e-07% change) linmin: converged after 4 iterations. - iteration 874: trace = 2.485865199871688 (4.14226e-09% change) + iteration 561: trace = 2.485865855193026 (1.09936e-07% change) + large trace change predicted (4.08641e-07%) linmin: converged after 16 iterations. - iteration 875: trace = 2.485865199781076 (3.64509e-09% change) + iteration 562: trace = 2.485865845034688 (4.08644e-07% change) + linmin: converged after 10 iterations. + iteration 563: trace = 2.485865832602193 (5.00127e-07% change) + linmin: converged after 3 iterations. + iteration 564: trace = 2.485865826285875 (2.54089e-07% change) + large trace change predicted (5.92994e-07%) + linmin: converged after 23 iterations. + iteration 565: trace = 2.485865811545041 (5.92986e-07% change) linmin: converged after 2 iterations. - iteration 876: trace = 2.485865199752428 (1.15243e-09% change) - large trace change predicted (3.26878e-09%) + iteration 566: trace = 2.485865805507174 (2.42888e-07% change) linmin: converged after 2 iterations. - iteration 877: trace = 2.485865199671171 (3.26879e-09% change) - linmin: converged after 12 iterations. - iteration 878: trace = 2.485865199583092 (3.54317e-09% change) - linmin: converged after 19 iterations. - iteration 879: trace = 2.485865199559318 (9.5638e-10% change) - large trace change predicted (3.28816e-09%) - linmin: converged after 15 iterations. - iteration 880: trace = 2.485865199477579 (3.28814e-09% change) - linmin: converged after 4 iterations. - iteration 881: trace = 2.485865199386177 (3.67687e-09% change) + iteration 567: trace = 2.485865798720401 (2.73014e-07% change) + large trace change predicted (5.84345e-07%) linmin: converged after 2 iterations. - iteration 882: trace = 2.485865199345654 (1.63014e-09% change) - large trace change predicted (4.75452e-09%) - linmin: converged after 6 iterations. - iteration 883: trace = 2.485865199227466 (4.75442e-09% change) - linmin: converged after 13 iterations. - iteration 884: trace = 2.485865199191147 (1.461e-09% change) - linmin: converged after 5 iterations. - iteration 885: trace = 2.485865199140393 (2.04169e-09% change) + iteration 568: trace = 2.485865784194143 (5.84354e-07% change) linmin: converged after 3 iterations. - iteration 886: trace = 2.485865199062937 (3.11587e-09% change) - linmin: converged after 24 iterations. - iteration 887: trace = 2.485865198999102 (2.56793e-09% change) - linmin: converged after 3 iterations. - iteration 888: trace = 2.485865198939075 (2.41472e-09% change) - large trace change predicted (4.94698e-09%) - linmin: converged after 16 iterations. - iteration 889: trace = 2.4858651988161 (4.94699e-09% change) + iteration 569: trace = 2.48586577733557 (2.75903e-07% change) linmin: converged after 3 iterations. - iteration 890: trace = 2.485865198734328 (3.28948e-09% change) - linmin: converged after 7 iterations. - iteration 891: trace = 2.485865198693158 (1.65615e-09% change) - large trace change predicted (3.65933e-09%) - linmin: converged after 4 iterations. - iteration 892: trace = 2.485865198602191 (3.65938e-09% change) - linmin: converged after 4 iterations. - iteration 893: trace = 2.48586519854553 (2.27934e-09% change) - linmin: converged after 12 iterations. - iteration 894: trace = 2.485865198526149 (7.79646e-10% change) - large trace change predicted (1.63767e-09%) - linmin: converged after 4 iterations. - iteration 895: trace = 2.485865198485438 (1.6377e-09% change) - linmin: converged after 6 iterations. - iteration 896: trace = 2.485865198446647 (1.56047e-09% change) - linmin: converged after 5 iterations. - iteration 897: trace = 2.485865198404874 (1.6804e-09% change) - linmin: converged after 15 iterations. - iteration 898: trace = 2.485865198381024 (9.59435e-10% change) - linmin: converged after 21 iterations. - iteration 899: trace = 2.485865198340132 (1.64499e-09% change) - linmin: converged after 4 iterations. - iteration 900: trace = 2.485865198291408 (1.96005e-09% change) - linmin: converged after 9 iterations. - iteration 901: trace = 2.485865198268051 (9.39569e-10% change) - linmin: converged after 24 iterations. - iteration 902: trace = 2.485865198230728 (1.50143e-09% change) - linmin: converged after 4 iterations. - iteration 903: trace = 2.485865198181385 (1.98493e-09% change) - linmin: converged after 6 iterations. - iteration 904: trace = 2.485865198160242 (8.50514e-10% change) - large trace change predicted (2.59649e-09%) + iteration 570: trace = 2.485865767632056 (3.90347e-07% change) + large trace change predicted (7.82675e-07%) linmin: converged after 8 iterations. - iteration 905: trace = 2.485865198095696 (2.59654e-09% change) - linmin: converged after 2 iterations. - iteration 906: trace = 2.485865198069126 (1.06884e-09% change) - linmin: converged after 4 iterations. - iteration 907: trace = 2.485865198038041 (1.25047e-09% change) - large trace change predicted (3.02402e-09%) - linmin: converged after 5 iterations. - iteration 908: trace = 2.485865197962871 (3.02392e-09% change) - linmin: converged after 12 iterations. - iteration 909: trace = 2.485865197867926 (3.81937e-09% change) - resetting CG direction... - linmin: converged after 27 iterations. - iteration 910: trace = 2.485865197779493 (3.55744e-09% change) + iteration 571: trace = 2.485865748174438 (7.8273e-07% change) linmin: converged after 3 iterations. - iteration 911: trace = 2.485865197714815 (2.60183e-09% change) - linmin: converged after 4 iterations. - iteration 912: trace = 2.485865197690492 (9.78443e-10% change) - linmin: converged after 9 iterations. - iteration 913: trace = 2.485865197667755 (9.14666e-10% change) - large trace change predicted (2.03791e-09%) - linmin: converged after 19 iterations. - iteration 914: trace = 2.485865197617092 (2.03803e-09% change) - linmin: converged after 18 iterations. - iteration 915: trace = 2.485865197603817 (5.34008e-10% change) - large trace change predicted (1.636e-09%) - linmin: converged after 3 iterations. - iteration 916: trace = 2.485865197563149 (1.63597e-09% change) + iteration 572: trace = 2.485865741605737 (2.64242e-07% change) + linmin: converged after 5 iterations. + iteration 573: trace = 2.485865730685639 (4.39288e-07% change) linmin: converged after 3 iterations. - iteration 917: trace = 2.485865197534232 (1.16329e-09% change) - linmin: converged after 9 iterations. - iteration 918: trace = 2.485865197517445 (6.75281e-10% change) - large trace change predicted (1.50937e-09%) - linmin: converged after 4 iterations. - iteration 919: trace = 2.485865197479924 (1.50936e-09% change) + iteration 574: trace = 2.485865714680635 (6.4384e-07% change) linmin: converged after 3 iterations. - iteration 920: trace = 2.485865197449738 (1.21433e-09% change) - linmin: converged after 18 iterations. - iteration 921: trace = 2.485865197431222 (7.44846e-10% change) + iteration 575: trace = 2.485865711230999 (1.3877e-07% change) + large trace change predicted (5.8015e-07%) linmin: converged after 3 iterations. - iteration 922: trace = 2.485865197398013 (1.33593e-09% change) - linmin: converged after 15 iterations. - iteration 923: trace = 2.485865197383809 (5.71363e-10% change) - linmin: converged after 12 iterations. - iteration 924: trace = 2.485865197363209 (8.28684e-10% change) - linmin: converged after 6 iterations. - iteration 925: trace = 2.485865197330011 (1.33547e-09% change) - linmin: converged after 4 iterations. - iteration 926: trace = 2.485865197285912 (1.77399e-09% change) + iteration 576: trace = 2.485865696808601 (5.80176e-07% change) linmin: converged after 5 iterations. - iteration 927: trace = 2.485865197268385 (7.05097e-10% change) - large trace change predicted (2.3754e-09%) + iteration 577: trace = 2.485865688350077 (3.40265e-07% change) linmin: converged after 3 iterations. - iteration 928: trace = 2.485865197209335 (2.37543e-09% change) - linmin: converged after 18 iterations. - iteration 929: trace = 2.485865197152 (2.30642e-09% change) - linmin: converged after 15 iterations. - iteration 930: trace = 2.485865197128124 (9.60489e-10% change) - large trace change predicted (2.02515e-09%) - linmin: converged after 13 iterations. - iteration 931: trace = 2.485865197077779 (2.02522e-09% change) - linmin: converged after 6 iterations. - iteration 932: trace = 2.485865197025277 (2.11204e-09% change) - linmin: converged after 3 iterations. - iteration 933: trace = 2.485865197014812 (4.20979e-10% change) - large trace change predicted (1.51339e-09%) - linmin: converged after 15 iterations. - iteration 934: trace = 2.485865196977192 (1.51336e-09% change) - linmin: converged after 4 iterations. - iteration 935: trace = 2.485865196943954 (1.33709e-09% change) - linmin: converged after 4 iterations. - iteration 936: trace = 2.485865196894677 (1.98227e-09% change) - linmin: converged after 20 iterations. - iteration 937: trace = 2.48586519688186 (5.15607e-10% change) - large trace change predicted (2.08236e-09%) - linmin: converged after 6 iterations. - iteration 938: trace = 2.485865196830097 (2.08228e-09% change) - linmin: converged after 19 iterations. - iteration 939: trace = 2.485865196800589 (1.18705e-09% change) + iteration 578: trace = 2.48586568433676 (1.61445e-07% change) linmin: converged after 2 iterations. - iteration 940: trace = 2.485865196785388 (6.11504e-10% change) - large trace change predicted (1.64881e-09%) - linmin: converged after 11 iterations. - iteration 941: trace = 2.485865196744399 (1.64885e-09% change) - linmin: converged after 9 iterations. - iteration 942: trace = 2.485865196717632 (1.07679e-09% change) - linmin: converged after 5 iterations. - iteration 943: trace = 2.485865196692838 (9.97397e-10% change) - linmin: converged after 6 iterations. - iteration 944: trace = 2.485865196652658 (1.61633e-09% change) - linmin: converged after 15 iterations. - iteration 945: trace = 2.485865196606591 (1.85318e-09% change) - linmin: converged after 18 iterations. - iteration 946: trace = 2.485865196590932 (6.29887e-10% change) - large trace change predicted (1.85795e-09%) - linmin: converged after 15 iterations. - iteration 947: trace = 2.485865196544747 (1.85792e-09% change) - linmin: converged after 10 iterations. - iteration 948: trace = 2.485865196504116 (1.6345e-09% change) - linmin: converged after 15 iterations. - iteration 949: trace = 2.485865196479669 (9.83409e-10% change) - linmin: converged after 14 iterations. - iteration 950: trace = 2.4858651964373 (1.70441e-09% change) - linmin: converged after 6 iterations. - iteration 951: trace = 2.485865196421519 (6.34853e-10% change) - linmin: converged after 6 iterations. - iteration 952: trace = 2.485865196401864 (7.90668e-10% change) - linmin: converged after 21 iterations. - iteration 953: trace = 2.485865196364467 (1.50438e-09% change) + iteration 579: trace = 2.485865676501888 (3.15177e-07% change) linmin: converged after 4 iterations. - iteration 954: trace = 2.485865196329271 (1.41584e-09% change) - linmin: converged after 18 iterations. - iteration 955: trace = 2.485865196314101 (6.10236e-10% change) - linmin: converged after 21 iterations. - iteration 956: trace = 2.485865196290834 (9.35996e-10% change) - linmin: converged after 16 iterations. - iteration 957: trace = 2.485865196244984 (1.84441e-09% change) - linmin: converged after 10 iterations. - iteration 958: trace = 2.4858651962366 (3.37265e-10% change) - large trace change predicted (1.55062e-09%) - linmin: converged after 5 iterations. - iteration 959: trace = 2.485865196198053 (1.55066e-09% change) - linmin: converged after 21 iterations. - iteration 960: trace = 2.485865196165143 (1.32387e-09% change) + iteration 580: trace = 2.485865666946087 (3.84405e-07% change) linmin: converged after 3 iterations. - iteration 961: trace = 2.485865196154426 (4.31108e-10% change) - large trace change predicted (1.15665e-09%) - linmin: converged after 21 iterations. - iteration 962: trace = 2.485865196125674 (1.15662e-09% change) + iteration 581: trace = 2.485865664383649 (1.0308e-07% change) + large trace change predicted (3.76332e-07%) linmin: converged after 8 iterations. - iteration 963: trace = 2.485865196089094 (1.47154e-09% change) - linmin: converged after 10 iterations. - iteration 964: trace = 2.485865196076043 (5.25004e-10% change) - large trace change predicted (1.88293e-09%) - linmin: converged after 7 iterations. - iteration 965: trace = 2.485865196029238 (1.88285e-09% change) - linmin: converged after 21 iterations. - iteration 966: trace = 2.485865195985069 (1.77677e-09% change) - linmin: converged after 7 iterations. - iteration 967: trace = 2.485865195949636 (1.42541e-09% change) - linmin: converged after 10 iterations. - iteration 968: trace = 2.485865195932265 (6.98791e-10% change) - large trace change predicted (1.48707e-09%) - linmin: converged after 18 iterations. - iteration 969: trace = 2.4858651958953 (1.48699e-09% change) - linmin: converged after 6 iterations. - iteration 970: trace = 2.485865195875271 (8.0571e-10% change) - linmin: converged after 5 iterations. - iteration 971: trace = 2.485865195858119 (6.89966e-10% change) - linmin: converged after 9 iterations. - iteration 972: trace = 2.485865195839179 (7.61924e-10% change) - linmin: converged after 11 iterations. - iteration 973: trace = 2.485865195818592 (8.28148e-10% change) - linmin: converged after 10 iterations. - iteration 974: trace = 2.485865195808338 (4.12493e-10% change) - large trace change predicted (1.15629e-09%) - linmin: converged after 4 iterations. - iteration 975: trace = 2.485865195779595 (1.15627e-09% change) - linmin: converged after 7 iterations. - iteration 976: trace = 2.485865195767748 (4.76591e-10% change) - linmin: converged after 10 iterations. - iteration 977: trace = 2.485865195754008 (5.52712e-10% change) - linmin: converged after 11 iterations. - iteration 978: trace = 2.485865195742006 (4.82808e-10% change) - linmin: converged after 4 iterations. - iteration 979: trace = 2.485865195735699 (2.53731e-10% change) - resetting CG direction... - linmin: converged after 4 iterations. - iteration 980: trace = 2.485865195729538 (2.47817e-10% change) - linmin: converged after 7 iterations. - iteration 981: trace = 2.485865195718167 (4.5744e-10% change) - linmin: converged after 10 iterations. - iteration 982: trace = 2.485865195706118 (4.84702e-10% change) - linmin: converged after 4 iterations. - iteration 983: trace = 2.48586519569485 (4.53278e-10% change) - large trace change predicted (9.8525e-10%) - linmin: converged after 16 iterations. - iteration 984: trace = 2.48586519567036 (9.85178e-10% change) - linmin: converged after 14 iterations. - iteration 985: trace = 2.485865195662614 (3.11612e-10% change) - large trace change predicted (6.89496e-10%) - linmin: converged after 25 iterations. - iteration 986: trace = 2.485865195645474 (6.89465e-10% change) - linmin: converged after 10 iterations. - iteration 987: trace = 2.485865195630695 (5.94533e-10% change) - linmin: converged after 3 iterations. - iteration 988: trace = 2.485865195623671 (2.82546e-10% change) - large trace change predicted (8.36744e-10%) + iteration 582: trace = 2.485865655028608 (3.76329e-07% change) linmin: converged after 12 iterations. - iteration 989: trace = 2.485865195602871 (8.36741e-10% change) - linmin: converged after 3 iterations. - iteration 990: trace = 2.485865195577373 (1.02573e-09% change) - linmin: converged after 12 iterations. - iteration 991: trace = 2.485865195569374 (3.21795e-10% change) - large trace change predicted (1.18579e-09%) - linmin: converged after 15 iterations. - iteration 992: trace = 2.485865195539894 (1.18587e-09% change) - linmin: converged after 16 iterations. - iteration 993: trace = 2.485865195513663 (1.05524e-09% change) - linmin: converged after 6 iterations. - iteration 994: trace = 2.485865195504994 (3.48734e-10% change) - large trace change predicted (1.19964e-09%) - linmin: converged after 22 iterations. - iteration 995: trace = 2.485865195475174 (1.19955e-09% change) - linmin: converged after 5 iterations. - iteration 996: trace = 2.485865195453173 (8.85047e-10% change) - linmin: converged after 6 iterations. - iteration 997: trace = 2.485865195444979 (3.29637e-10% change) - linmin: converged after 5 iterations. - iteration 998: trace = 2.485865195431235 (5.52873e-10% change) - linmin: converged after 17 iterations. - iteration 999: trace = 2.48586519541321 (7.25087e-10% change) - linmin: converged after 6 iterations. - iteration 1000: trace = 2.485865195407233 (2.40475e-10% change) - large trace change predicted (7.1572e-10%) - linmin: converged after 4 iterations. - iteration 1001: trace = 2.485865195389439 (7.15798e-10% change) + iteration 583: trace = 2.485865644993694 (4.03679e-07% change) linmin: converged after 4 iterations. - iteration 1002: trace = 2.485865195366087 (9.39391e-10% change) + iteration 584: trace = 2.485865642173096 (1.13465e-07% change) + large trace change predicted (5.37982e-07%) linmin: converged after 4 iterations. - iteration 1003: trace = 2.48586519535643 (3.88465e-10% change) - linmin: converged after 16 iterations. - iteration 1004: trace = 2.485865195348283 (3.27743e-10% change) - linmin: converged after 16 iterations. - iteration 1005: trace = 2.485865195332919 (6.18061e-10% change) - linmin: converged after 12 iterations. - iteration 1006: trace = 2.485865195325522 (2.97552e-10% change) + iteration 585: trace = 2.48586562879997 (5.37967e-07% change) + linmin: converged after 10 iterations. + iteration 586: trace = 2.485865618317857 (4.21669e-07% change) linmin: converged after 5 iterations. - iteration 1007: trace = 2.485865195315592 (3.9947e-10% change) - linmin: converged after 18 iterations. - iteration 1008: trace = 2.485865195302418 (5.29953e-10% change) - linmin: converged after 14 iterations. - iteration 1009: trace = 2.48586519528831 (5.67504e-10% change) - linmin: converged after 3 iterations. - iteration 1010: trace = 2.485865195282737 (2.242e-10% change) - large trace change predicted (7.19285e-10%) - linmin: converged after 6 iterations. - iteration 1011: trace = 2.485865195264858 (7.19228e-10% change) - linmin: converged after 6 iterations. - iteration 1012: trace = 2.485865195247599 (6.94289e-10% change) + iteration 587: trace = 2.485865614812235 (1.41022e-07% change) linmin: converged after 4 iterations. - iteration 1013: trace = 2.485865195239529 (3.24635e-10% change) + iteration 588: trace = 2.485865608467889 (2.55217e-07% change) + linmin: converged after 2 iterations. + iteration 589: trace = 2.485865598816702 (3.88242e-07% change) + linmin: converged after 30 iterations. + iteration 590: trace = 2.485865595236295 (1.44031e-07% change) linmin: converged after 3 iterations. - iteration 1014: trace = 2.485865195229751 (3.93342e-10% change) + iteration 591: trace = 2.485865588404876 (2.7481e-07% change) + linmin: converged after 25 iterations. + iteration 592: trace = 2.485865576500561 (4.7888e-07% change) + linmin: converged after 13 iterations. + iteration 593: trace = 2.485865571211258 (2.12775e-07% change) + linmin: converged after 17 iterations. + iteration 594: trace = 2.485865566627636 (1.84387e-07% change) linmin: converged after 3 iterations. - iteration 1015: trace = 2.485865195216892 (5.17304e-10% change) - linmin: converged after 4 iterations. - iteration 1016: trace = 2.485865195212109 (1.92401e-10% change) - linmin: converged after 6 iterations. - iteration 1017: trace = 2.485865195203397 (3.50431e-10% change) + iteration 595: trace = 2.4858655596775 (2.79586e-07% change) + linmin: converged after 33 iterations. + iteration 596: trace = 2.485865557671577 (8.06931e-08% change) + large trace change predicted (2.30953e-07%) linmin: converged after 3 iterations. - iteration 1018: trace = 2.48586519519056 (5.16429e-10% change) - linmin: converged after 4 iterations. - iteration 1019: trace = 2.485865195187408 (1.26767e-10% change) - large trace change predicted (3.78648e-10%) - linmin: converged after 18 iterations. - iteration 1020: trace = 2.485865195177993 (3.78747e-10% change) + iteration 597: trace = 2.485865551930441 (2.30951e-07% change) + linmin: converged after 9 iterations. + iteration 598: trace = 2.485865546581926 (2.15157e-07% change) linmin: converged after 10 iterations. - iteration 1021: trace = 2.485865195163123 (5.98177e-10% change) - linmin: converged after 3 iterations. - iteration 1022: trace = 2.485865195156914 (2.498e-10% change) - linmin: converged after 3 iterations. - iteration 1023: trace = 2.48586519514668 (4.11671e-10% change) + iteration 599: trace = 2.485865544423812 (8.68154e-08% change) linmin: converged after 3 iterations. - iteration 1024: trace = 2.485865195138649 (3.23081e-10% change) - linmin: converged after 8 iterations. - iteration 1025: trace = 2.485865195132884 (2.31918e-10% change) - linmin: converged after 15 iterations. - iteration 1026: trace = 2.485865195127163 (2.30131e-10% change) - large trace change predicted (4.92127e-10%) - linmin: converged after 4 iterations. - iteration 1027: trace = 2.48586519511493 (4.92115e-10% change) - linmin: converged after 5 iterations. - iteration 1028: trace = 2.485865195111738 (1.28393e-10% change) - large trace change predicted (5.51697e-10%) - linmin: converged after 3 iterations. - iteration 1029: trace = 2.48586519509802 (5.51819e-10% change) - linmin: converged after 4 iterations. - iteration 1030: trace = 2.485865195086531 (4.62192e-10% change) - linmin: converged after 12 iterations. - iteration 1031: trace = 2.485865195082156 (1.76002e-10% change) - large trace change predicted (4.23674e-10%) - linmin: converged after 5 iterations. - iteration 1032: trace = 2.485865195071622 (4.2373e-10% change) - linmin: converged after 5 iterations. - iteration 1033: trace = 2.485865195063092 (3.43143e-10% change) - linmin: converged after 8 iterations. - iteration 1034: trace = 2.485865195058281 (1.93563e-10% change) - linmin: converged after 3 iterations. - iteration 1035: trace = 2.48586519505634 (7.8086e-11% change) -Finished solving for bands 1 to 10 after 1035 iterations. + iteration 600: trace = 2.485865541060663 (1.35291e-07% change) + large trace change predicted (3.49863e-07%) + linmin: converged after 8 iterations. + iteration 601: trace = 2.485865532363777 (3.49853e-07% change) + linmin: converged after 14 iterations. + iteration 602: trace = 2.485865528133315 (1.70181e-07% change) + linmin: converged after 3 iterations. + iteration 603: trace = 2.485865521906667 (2.50482e-07% change) + linmin: converged after 11 iterations. + iteration 604: trace = 2.485865517119822 (1.92562e-07% change) + linmin: converged after 15 iterations. + switching to approximate line minimization (decrease time by 98.904%) + iteration 605: trace = 2.48586551510502 (8.10503e-08% change) + iteration 606: trace = 2.485865509397209 (2.29611e-07% change) + iteration 607: trace = 2.48586550163064 (3.12429e-07% change) + iteration 608: trace = 2.485865499075748 (1.02777e-07% change) + iteration 609: trace = 2.485865490785121 (3.33511e-07% change) + iteration 610: trace = 2.485865483862951 (2.78461e-07% change) + iteration 611: trace = 2.485865480694487 (1.27459e-07% change) + iteration 612: trace = 2.48586547474276 (2.39423e-07% change) + iteration 613: trace = 2.485865469550498 (2.08871e-07% change) + iteration 614: trace = 2.485865467532013 (8.11985e-08% change) + iteration 615: trace = 2.48586546531515 (8.91787e-08% change) + iteration 616: trace = 2.485865462697979 (1.05282e-07% change) + iteration 617: trace = 2.485865460679621 (8.11934e-08% change) + iteration 618: trace = 2.485865459907 (3.10805e-08% change) + iteration 619: trace = 2.485865456400994 (1.41038e-07% change) + iteration 620: trace = 2.485865455116496 (5.16721e-08% change) + iteration 621: trace = 2.485865453234089 (7.57244e-08% change) + iteration 622: trace = 2.485865448771577 (1.79515e-07% change) + iteration 623: trace = 2.485865447763155 (4.05662e-08% change) + iteration 624: trace = 2.485865443482142 (1.72214e-07% change) + iteration 625: trace = 2.485865439479667 (1.61009e-07% change) + iteration 626: trace = 2.485865438248025 (4.95458e-08% change) + iteration 627: trace = 2.485865435144115 (1.24862e-07% change) + iteration 628: trace = 2.485865430345165 (1.93049e-07% change) + iteration 629: trace = 2.485865428086844 (9.08465e-08% change) + resetting CG direction... + iteration 630: trace = 2.48586542595238 (8.5864e-08% change) + iteration 631: trace = 2.485865421829888 (1.65837e-07% change) + iteration 632: trace = 2.48586541890467 (1.17674e-07% change) + iteration 633: trace = 2.485865417876288 (4.13692e-08% change) + iteration 634: trace = 2.485865414514822 (1.35223e-07% change) + iteration 635: trace = 2.485865411160104 (1.34952e-07% change) + iteration 636: trace = 2.485865410124775 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iteration 881: trace = 2.485865199843672 (4.47056e-09% change) + iteration 882: trace = 2.485865199804434 (1.57846e-09% change) + iteration 883: trace = 2.485865199664163 (5.64276e-09% change) + iteration 884: trace = 2.485865199606994 (2.29974e-09% change) + iteration 885: trace = 2.485865199556457 (2.03299e-09% change) + iteration 886: trace = 2.485865199469567 (3.49535e-09% change) + iteration 887: trace = 2.485865199399581 (2.81537e-09% change) + iteration 888: trace = 2.485865199324167 (3.03371e-09% change) + iteration 889: trace = 2.485865199162505 (6.50326e-09% change) + iteration 890: trace = 2.485865199127533 (1.40684e-09% change) + iteration 891: trace = 2.48586519904557 (3.29714e-09% change) + iteration 892: trace = 2.485865198948174 (3.91799e-09% change) + iteration 893: trace = 2.485865198916543 (1.27246e-09% change) + iteration 894: trace = 2.485865198857561 (2.3727e-09% change) + iteration 895: trace = 2.485865198803851 (2.1606e-09% change) + iteration 896: trace = 2.485865198774155 (1.19459e-09% change) + iteration 897: trace = 2.485865198757305 (6.77836e-10% change) + iteration 898: trace = 2.485865198718027 (1.58007e-09% change) + iteration 899: trace = 2.485865198688153 (1.20175e-09% change) + iteration 900: trace = 2.485865198664148 (9.6567e-10% change) + iteration 901: trace = 2.485865198610058 (2.17589e-09% change) + iteration 902: trace = 2.485865198590172 (7.99958e-10% change) + iteration 903: trace = 2.485865198548053 (1.69437e-09% change) + iteration 904: trace = 2.485865198481181 (2.69007e-09% change) + iteration 905: trace = 2.485865198467065 (5.67879e-10% change) + iteration 906: trace = 2.485865198399857 (2.70357e-09% change) + iteration 907: trace = 2.4858651983483 (2.07404e-09% change) + iteration 908: trace = 2.485865198323799 (9.85589e-10% change) + iteration 909: trace = 2.485865198249186 (3.0015e-09% change) + resetting CG direction... + iteration 910: trace = 2.485865198183799 (2.63036e-09% change) + iteration 911: trace = 2.485865198160966 (9.18507e-10% change) + iteration 912: trace = 2.485865198109365 (2.07577e-09% change) + iteration 913: trace = 2.485865198059465 (2.00733e-09% change) + iteration 914: trace = 2.485865198041076 (7.39736e-10% change) + iteration 915: trace = 2.485865197983714 (2.30753e-09% change) + iteration 916: trace = 2.4858651979666 (6.88483e-10% change) + iteration 917: trace = 2.485865197936797 (1.19889e-09% change) + iteration 918: trace = 2.48586519789055 (1.8604e-09% change) + iteration 919: trace = 2.485865197881411 (3.67635e-10% change) + iteration 920: trace = 2.485865197848601 (1.31983e-09% change) + iteration 921: trace = 2.485865197818742 (1.20116e-09% change) + iteration 922: trace = 2.485865197810259 (3.41249e-10% change) + iteration 923: trace = 2.485865197781971 (1.13796e-09% change) + iteration 924: trace = 2.485865197748904 (1.33021e-09% change) + iteration 925: trace = 2.485865197737385 (4.63389e-10% change) + iteration 926: trace = 2.485865197677591 (2.40534e-09% change) + iteration 927: trace = 2.485865197627357 (2.02079e-09% change) + iteration 928: trace = 2.485865197598635 (1.15543e-09% change) + iteration 929: trace = 2.485865197537152 (2.47328e-09% change) + iteration 930: trace = 2.485865197446766 (3.63601e-09% change) + iteration 931: trace = 2.485865197428056 (7.52652e-10% change) + iteration 932: trace = 2.485865197353732 (2.98989e-09% change) + iteration 933: trace = 2.485865197328132 (1.02979e-09% change) + iteration 934: trace = 2.485865197298391 (1.19644e-09% change) + iteration 935: trace = 2.485865197251605 (1.88207e-09% change) + iteration 936: trace = 2.485865197212706 (1.56479e-09% change) + iteration 937: trace = 2.485865197178411 (1.37959e-09% change) + iteration 938: trace = 2.485865197122288 (2.25771e-09% change) + iteration 939: trace = 2.485865197083255 (1.57019e-09% change) + iteration 940: trace = 2.485865197072828 (4.1946e-10% change) + iteration 941: trace = 2.485865197037625 (1.41612e-09% change) + iteration 942: trace = 2.485865197010386 (1.09574e-09% change) + iteration 943: trace = 2.48586519699411 (6.54737e-10% change) + iteration 944: trace = 2.485865196951032 (1.73292e-09% change) + iteration 945: trace = 2.485865196917545 (1.3471e-09% change) + iteration 946: trace = 2.485865196887412 (1.2122e-09% change) + iteration 947: trace = 2.485865196833801 (2.15661e-09% change) + iteration 948: trace = 2.485865196806724 (1.08926e-09% change) + iteration 949: trace = 2.485865196759034 (1.91842e-09% change) + iteration 950: trace = 2.485865196718258 (1.64034e-09% change) + iteration 951: trace = 2.485865196690948 (1.09862e-09% change) + iteration 952: trace = 2.485865196660223 (1.23598e-09% change) + iteration 953: trace = 2.485865196607541 (2.11926e-09% change) + iteration 954: trace = 2.485865196598477 (3.64634e-10% change) + iteration 955: trace = 2.485865196537631 (2.44768e-09% change) + iteration 956: trace = 2.485865196501318 (1.46077e-09% change) + iteration 957: trace = 2.485865196487605 (5.51622e-10% change) + iteration 958: trace = 2.485865196448341 (1.5795e-09% change) + iteration 959: trace = 2.485865196411594 (1.47826e-09% change) + iteration 960: trace = 2.4858651964013 (4.14101e-10% change) + iteration 961: trace = 2.485865196374378 (1.083e-09% change) + iteration 962: trace = 2.485865196342685 (1.27492e-09% change) + iteration 963: trace = 2.485865196328938 (5.53016e-10% change) + iteration 964: trace = 2.485865196287832 (1.65358e-09% change) + iteration 965: trace = 2.485865196243782 (1.772e-09% change) + iteration 966: trace = 2.485865196226839 (6.81569e-10% change) + iteration 967: trace = 2.485865196182976 (1.76452e-09% change) + iteration 968: trace = 2.485865196143046 (1.60628e-09% change) + iteration 969: trace = 2.485865196125753 (6.95664e-10% change) + iteration 970: trace = 2.485865196080118 (1.83576e-09% change) + iteration 971: trace = 2.485865196060447 (7.91293e-10% change) + iteration 972: trace = 2.485865196038566 (8.80223e-10% change) + iteration 973: trace = 2.485865196014789 (9.56505e-10% change) + iteration 974: trace = 2.485865195990675 (9.70046e-10% change) + iteration 975: trace = 2.485865195973296 (6.99094e-10% change) + iteration 976: trace = 2.485865195935482 (1.52119e-09% change) + iteration 977: trace = 2.485865195924809 (4.29321e-10% change) + iteration 978: trace = 2.485865195911632 (5.30095e-10% change) + iteration 979: trace = 2.48586519589447 (6.90359e-10% change) + resetting CG direction... + iteration 980: trace = 2.485865195883159 (4.55011e-10% change) + iteration 981: trace = 2.485865195874781 (3.37033e-10% change) + iteration 982: trace = 2.485865195856661 (7.28928e-10% change) + iteration 983: trace = 2.485865195833954 (9.13433e-10% change) + iteration 984: trace = 2.485865195819336 (5.88066e-10% change) + iteration 985: trace = 2.485865195788875 (1.22535e-09% change) + iteration 986: trace = 2.485865195780845 (3.23045e-10% change) + iteration 987: trace = 2.485865195765083 (6.34049e-10% change) + iteration 988: trace = 2.485865195740046 (1.00719e-09% change) + iteration 989: trace = 2.485865195733935 (2.45834e-10% change) + iteration 990: trace = 2.485865195700254 (1.35488e-09% change) + iteration 991: trace = 2.485865195672293 (1.12481e-09% change) + iteration 992: trace = 2.485865195662008 (4.13726e-10% change) + iteration 993: trace = 2.485865195631092 (1.2437e-09% change) + iteration 994: trace = 2.485865195605638 (1.02393e-09% change) + iteration 995: trace = 2.485865195597659 (3.20991e-10% change) + iteration 996: trace = 2.485865195570987 (1.07296e-09% change) + iteration 997: trace = 2.485865195559875 (4.47007e-10% change) + iteration 998: trace = 2.485865195547468 (4.99065e-10% change) + iteration 999: trace = 2.485865195530258 (6.92324e-10% change) + iteration 1000: trace = 2.485865195517255 (5.23075e-10% change) + iteration 1001: trace = 2.485865195509251 (3.21991e-10% change) + iteration 1002: trace = 2.485865195486857 (9.00857e-10% change) + iteration 1003: trace = 2.485865195477957 (3.58006e-10% change) + iteration 1004: trace = 2.485865195464509 (5.41011e-10% change) + iteration 1005: trace = 2.485865195441678 (9.18418e-10% change) + iteration 1006: trace = 2.485865195437249 (1.78163e-10% change) + iteration 1007: trace = 2.485865195415247 (8.85082e-10% change) + iteration 1008: trace = 2.485865195397591 (7.10242e-10% change) + iteration 1009: trace = 2.48586519539025 (2.95337e-10% change) + iteration 1010: trace = 2.485865195375392 (5.97677e-10% change) + iteration 1011: trace = 2.485865195359556 (6.37069e-10% change) + iteration 1012: trace = 2.48586519535112 (3.39338e-10% change) + iteration 1013: trace = 2.485865195330428 (8.32382e-10% change) + iteration 1014: trace = 2.4858651953203 (4.07419e-10% change) + iteration 1015: trace = 2.485865195311646 (3.48163e-10% change) + iteration 1016: trace = 2.485865195297576 (5.65985e-10% change) + iteration 1017: trace = 2.485865195291863 (2.2981e-10% change) + iteration 1018: trace = 2.485865195285759 (2.45566e-10% change) + iteration 1019: trace = 2.485865195274935 (4.35395e-10% change) + iteration 1020: trace = 2.485865195271982 (1.18817e-10% change) + iteration 1021: trace = 2.485865195260902 (4.45703e-10% change) + iteration 1022: trace = 2.485865195248271 (5.08104e-10% change) + iteration 1023: trace = 2.485865195244217 (1.63104e-10% change) + iteration 1024: trace = 2.485865195226968 (6.9386e-10% change) + iteration 1025: trace = 2.485865195219399 (3.04484e-10% change) + iteration 1026: trace = 2.48586519521251 (2.77133e-10% change) + iteration 1027: trace = 2.485865195201329 (4.49776e-10% change) + iteration 1028: trace = 2.485865195194027 (2.93765e-10% change) + iteration 1029: trace = 2.485865195182978 (4.44471e-10% change) + iteration 1030: trace = 2.485865195163234 (7.94241e-10% change) + iteration 1031: trace = 2.485865195158848 (1.76448e-10% change) + iteration 1032: trace = 2.485865195148779 (4.05043e-10% change) + iteration 1033: trace = 2.485865195135293 (5.42493e-10% change) + iteration 1034: trace = 2.485865195132356 (1.18156e-10% change) + iteration 1035: trace = 2.485865195123425 (3.59274e-10% change) + iteration 1036: trace = 2.485865195117612 (2.33829e-10% change) + iteration 1037: trace = 2.485865195115382 (8.97159e-11% change) +Finished solving for bands 1 to 10 after 1037 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: 23.39305830001831 +elapsed time for k point: 67.23757815361023 solve_kpoint (0.5,0.333333,0): Solving for bands 1 to 10... linmin: converged after 5 iterations. - iteration 1: trace = 2.624860521618544 (2.69642% change) - linmin: converged after 4 iterations. - iteration 2: trace = 2.610953190274542 (0.531239% change) + iteration 1: trace = 2.624860545035545 (2.69642% change) linmin: converged after 4 iterations. - iteration 3: trace = 2.601889502713794 (0.347745% change) + iteration 2: trace = 2.610953283543044 (0.531236% change) linmin: converged after 4 iterations. - iteration 4: trace = 2.600356527115023 (0.0589351% change) - large trace change predicted (0.133101%) + iteration 3: trace = 2.601889598230492 (0.347744% change) linmin: converged after 4 iterations. - iteration 5: trace = 2.596948739451574 (0.131137% change) + iteration 4: trace = 2.600356626969673 (0.058935% change) + large trace change predicted (0.1331%) linmin: converged after 4 iterations. - iteration 6: trace = 2.59637195673933 (0.0222125% change) + iteration 5: trace = 2.596948848453891 (0.131136% change) linmin: converged after 4 iterations. - iteration 7: trace = 2.595542822108817 (0.0319395% change) - linmin: converged after 4 iterations. - iteration 8: trace = 2.595152272227645 (0.0150481% change) + iteration 6: trace = 2.596372067820695 (0.0222124% change) + linmin: converged after 3 iterations. + iteration 7: trace = 2.595542935130945 (0.0319394% change) linmin: converged after 4 iterations. - iteration 9: trace = 2.594847304055892 (0.0117521% change) + iteration 8: trace = 2.595152388526077 (0.0150479% change) linmin: converged after 4 iterations. - iteration 10: trace = 2.594454354679778 (0.0151446% change) + iteration 9: trace = 2.594847420147993 (0.0117522% change) linmin: converged after 4 iterations. - iteration 11: trace = 2.594326218334966 (0.00493898% change) - large trace change predicted (0.0216464%) + iteration 10: trace = 2.594454473021451 (0.0151445% change) linmin: converged after 4 iterations. - iteration 12: trace = 2.59377725804431 (0.0211623% change) + iteration 11: trace = 2.5943263369855 (0.00493897% change) + large trace change predicted (0.0216463%) linmin: converged after 4 iterations. - iteration 13: trace = 2.59351194519011 (0.0102293% change) + iteration 12: trace = 2.593777378319213 (0.0211622% change) linmin: converged after 4 iterations. - iteration 14: trace = 2.593177804948497 (0.0128845% change) + iteration 13: trace = 2.593512066938678 (0.0102293% change) linmin: converged after 4 iterations. - iteration 15: trace = 2.592759541877131 (0.0161307% change) + iteration 14: trace = 2.593177925033821 (0.0128846% change) linmin: converged after 4 iterations. - iteration 16: trace = 2.592616450337081 (0.00551904% change) - large trace change predicted (0.0234744%) + iteration 15: trace = 2.592759662696986 (0.0161306% change) + linmin: converged after 5 iterations. + iteration 16: trace = 2.59261657036755 (0.00551907% change) + large trace change predicted (0.0234743%) linmin: converged after 6 iterations. - iteration 17: trace = 2.592030992157174 (0.0225843% change) + iteration 17: trace = 2.592031113386071 (0.0225843% change) linmin: converged after 4 iterations. - iteration 18: trace = 2.591838798349907 (0.00741507% change) + iteration 18: trace = 2.59183892156294 (0.00741499% change) linmin: converged after 4 iterations. - iteration 19: trace = 2.591510380906076 (0.012672% change) - linmin: converged after 24 iterations. - iteration 20: trace = 2.591143477406139 (0.0141589% change) + iteration 19: trace = 2.59151050299883 (0.0126721% change) + linmin: converged after 6 iterations. + iteration 20: trace = 2.591143601358577 (0.0141588% change) linmin: converged after 4 iterations. - iteration 21: trace = 2.591058370891482 (0.00328457% change) + iteration 21: trace = 2.591058494579857 (0.00328458% change) large trace change predicted (0.0106641%) linmin: converged after 4 iterations. - iteration 22: trace = 2.590787468655928 (0.0104558% change) + iteration 22: trace = 2.590787592954194 (0.0104558% change) linmin: converged after 4 iterations. - iteration 23: trace = 2.590682206926354 (0.00406301% change) + iteration 23: trace = 2.590682331351037 (0.004063% change) linmin: converged after 4 iterations. - iteration 24: trace = 2.590536715489336 (0.00561611% change) + iteration 24: trace = 2.590536841188329 (0.00561606% change) linmin: converged after 4 iterations. - iteration 25: trace = 2.590316103030832 (0.00851645% change) + iteration 25: trace = 2.590316229561946 (0.00851642% change) linmin: converged after 4 iterations. - iteration 26: trace = 2.590262773503845 (0.00205883% change) - large trace change predicted (0.00488929%) - linmin: converged after 3 iterations. - iteration 27: trace = 2.590136126018992 (0.00488949% change) + iteration 26: trace = 2.590262900407953 (0.00205881% change) + large trace change predicted (0.00488927%) + linmin: converged after 4 iterations. + iteration 27: trace = 2.59013625327576 (0.00488947% change) linmin: converged after 3 iterations. - iteration 28: trace = 2.59006415221636 (0.0027788% change) + iteration 28: trace = 2.590064279756752 (0.00277879% change) + linmin: converged after 14 iterations. + iteration 29: trace = 2.589967187558435 (0.00374871% change) linmin: converged after 3 iterations. - iteration 29: trace = 2.589967059741261 (0.00374872% change) - linmin: converged after 6 iterations. - iteration 30: trace = 2.58984703354588 (0.00463438% change) + iteration 30: trace = 2.589847161737808 (0.00463437% change) linmin: converged after 3 iterations. - iteration 31: trace = 2.589779805109319 (0.00259588% change) + iteration 31: trace = 2.589779933172423 (0.00259588% change) linmin: converged after 3 iterations. - iteration 32: trace = 2.589656245739652 (0.00477115% change) + iteration 32: trace = 2.58965637395244 (0.00477115% change) linmin: converged after 3 iterations. - iteration 33: trace = 2.589592317183004 (0.00246864% change) - large trace change predicted (0.0058733%) + iteration 33: trace = 2.58959244509136 (0.00246865% change) + large trace change predicted (0.00587328%) linmin: converged after 3 iterations. - iteration 34: trace = 2.589438799786502 (0.00592842% change) + iteration 34: trace = 2.589438928387284 (0.00592839% change) linmin: converged after 3 iterations. - iteration 35: trace = 2.589299452439772 (0.00538152% change) + iteration 35: trace = 2.58929957672675 (0.00538168% change) linmin: converged after 3 iterations. - iteration 36: trace = 2.589151667919612 (0.00570767% change) + iteration 36: trace = 2.589151797621701 (0.00570746% change) linmin: converged after 4 iterations. - iteration 37: trace = 2.588877424791422 (0.0105926% change) + iteration 37: trace = 2.588877554342137 (0.0105926% change) linmin: converged after 3 iterations. - iteration 38: trace = 2.588758943947076 (0.00457664% change) - large trace change predicted (0.0103813%) + iteration 38: trace = 2.588759066433063 (0.00457691% change) + large trace change predicted (0.0103811%) linmin: converged after 3 iterations. - iteration 39: trace = 2.588487298044556 (0.0104938% change) + iteration 39: trace = 2.588487426994846 (0.0104936% change) linmin: converged after 3 iterations. - iteration 40: trace = 2.588238628793924 (0.0096072% change) + iteration 40: trace = 2.588238752610481 (0.0096074% change) linmin: converged after 3 iterations. - iteration 41: trace = 2.588129511987392 (0.00421596% change) - large trace change predicted (0.00966115%) + iteration 41: trace = 2.588129638458915 (0.00421586% change) + large trace change predicted (0.00966122%) linmin: converged after 3 iterations. - iteration 42: trace = 2.587877945573201 (0.00972048% change) + iteration 42: trace = 2.587878070207965 (0.00972055% change) linmin: converged after 4 iterations. - iteration 43: trace = 2.587755245936565 (0.00474143% change) + iteration 43: trace = 2.587755361927704 (0.00474177% change) linmin: converged after 3 iterations. - iteration 44: trace = 2.587559949936852 (0.00754721% change) + iteration 44: trace = 2.587560071792748 (0.00754698% change) linmin: converged after 4 iterations. - iteration 45: trace = 2.587201554185449 (0.0138517% change) + iteration 45: trace = 2.587201662605025 (0.0138522% change) linmin: converged after 3 iterations. - iteration 46: trace = 2.587078783260084 (0.00474543% change) - large trace change predicted (0.0134462%) - linmin: converged after 11 iterations. - iteration 47: trace = 2.586730945154498 (0.0134461% change) + iteration 46: trace = 2.58707889573604 (0.00474527% change) + large trace change predicted (0.0134461%) + linmin: converged after 4 iterations. + iteration 47: trace = 2.586731062385228 (0.0134459% change) linmin: converged after 4 iterations. - iteration 48: trace = 2.586416748640698 (0.0121472% change) + iteration 48: trace = 2.586416849500786 (0.0121478% change) linmin: converged after 4 iterations. - iteration 49: trace = 2.58617269284236 (0.0094365% change) + iteration 49: trace = 2.58617280459038 (0.00943608% change) linmin: converged after 4 iterations. - iteration 50: trace = 2.585801979697706 (0.0143355% change) + iteration 50: trace = 2.585802085221721 (0.0143357% change) linmin: converged after 3 iterations. - iteration 51: trace = 2.585704615333812 (0.00376542% change) - large trace change predicted (0.00796062%) + iteration 51: trace = 2.585704718552027 (0.0037655% change) + large trace change predicted (0.0079605%) linmin: converged after 4 iterations. - iteration 52: trace = 2.585499823527465 (0.00792047% change) + iteration 52: trace = 2.585499929758525 (0.00792035% change) linmin: converged after 4 iterations. - iteration 53: trace = 2.585309103142582 (0.00737681% change) + iteration 53: trace = 2.585309195579329 (0.00737734% change) linmin: converged after 4 iterations. - iteration 54: trace = 2.585225685346267 (0.00322666% change) - large trace change predicted (0.00858072%) + iteration 54: trace = 2.585225786443216 (0.00322633% change) + large trace change predicted (0.00858083%) linmin: converged after 4 iterations. - iteration 55: trace = 2.585005388880063 (0.00852173% change) + iteration 55: trace = 2.585005487134457 (0.00852184% change) linmin: converged after 4 iterations. - iteration 56: trace = 2.584916436170431 (0.00344116% change) - linmin: converged after 3 iterations. - iteration 57: trace = 2.584748118065533 (0.00651176% change) + iteration 56: trace = 2.584916526803515 (0.00344146% change) linmin: converged after 4 iterations. - iteration 58: trace = 2.584504243703837 (0.00943558% change) - linmin: converged after 5 iterations. - iteration 59: trace = 2.58441870929796 (0.00330956% change) - large trace change predicted (0.00842777%) + iteration 57: trace = 2.584748213263788 (0.00651158% change) + linmin: converged after 4 iterations. + iteration 58: trace = 2.58450432710971 (0.00943603% change) linmin: converged after 4 iterations. - iteration 60: trace = 2.584201832061457 (0.00839207% change) + iteration 59: trace = 2.584418797750898 (0.00330937% change) + large trace change predicted (0.00842782%) linmin: converged after 4 iterations. - iteration 61: trace = 2.584099116928128 (0.00397481% change) + iteration 60: trace = 2.584201919254646 (0.00839212% change) linmin: converged after 4 iterations. - iteration 62: trace = 2.583934387426116 (0.00637494% change) + iteration 61: trace = 2.584099193358549 (0.00397523% change) linmin: converged after 4 iterations. - iteration 63: trace = 2.583709086143977 (0.00871969% change) + iteration 62: trace = 2.583934471402904 (0.00637465% change) linmin: converged after 4 iterations. - iteration 64: trace = 2.583615303596189 (0.00362983% change) - large trace change predicted (0.00904912%) + iteration 63: trace = 2.583709151290063 (0.00872042% change) linmin: converged after 4 iterations. - iteration 65: trace = 2.583383065985255 (0.00898927% change) + iteration 64: trace = 2.583615380514772 (0.00362937% change) + large trace change predicted (0.00904908%) linmin: converged after 4 iterations. - iteration 66: trace = 2.583261817052908 (0.00469353% change) + iteration 65: trace = 2.583383143964781 (0.00898922% change) linmin: converged after 4 iterations. - iteration 67: trace = 2.583112578823719 (0.00577729% change) + iteration 66: trace = 2.583261881113884 (0.00469407% change) linmin: converged after 4 iterations. - iteration 68: trace = 2.582958408053899 (0.00596859% change) + iteration 67: trace = 2.583112650487486 (0.005777% change) linmin: converged after 4 iterations. - iteration 69: trace = 2.582869907040918 (0.0034264% change) + iteration 68: trace = 2.582958470518785 (0.00596894% change) + linmin: converged after 4 iterations. + iteration 69: trace = 2.582869975747649 (0.00342616% change) resetting CG direction... linmin: converged after 4 iterations. - iteration 70: trace = 2.582791348541924 (0.00304157% change) + iteration 70: trace = 2.582791423739389 (0.00304131% change) linmin: converged after 4 iterations. - iteration 71: trace = 2.582689741007504 (0.0039341% change) + iteration 71: trace = 2.582689806413226 (0.00393448% change) linmin: converged after 3 iterations. - iteration 72: trace = 2.582487366629814 (0.00783611% change) + iteration 72: trace = 2.582487430420619 (0.00783617% change) linmin: converged after 4 iterations. - iteration 73: trace = 2.582430453958849 (0.00220382% change) - large trace change predicted (0.00655171%) + iteration 73: trace = 2.582430514617713 (0.00220394% change) + large trace change predicted (0.00655191%) linmin: converged after 3 iterations. - iteration 74: trace = 2.582260864559661 (0.00656726% change) + iteration 74: trace = 2.582260920020921 (0.00656746% change) linmin: converged after 3 iterations. - iteration 75: trace = 2.582143021268454 (0.00456367% change) + iteration 75: trace = 2.582143091166932 (0.00456312% change) linmin: converged after 3 iterations. - iteration 76: trace = 2.582089107295908 (0.00208798% change) + iteration 76: trace = 2.582089162378294 (0.00208855% change) linmin: converged after 3 iterations. - iteration 77: trace = 2.581989431924498 (0.00386034% change) + iteration 77: trace = 2.581989485228482 (0.0038604% change) linmin: converged after 3 iterations. - iteration 78: trace = 2.581949472930305 (0.00154762% change) + iteration 78: trace = 2.581949533289239 (0.00154734% change) linmin: converged after 3 iterations. - iteration 79: trace = 2.581896459257402 (0.00205326% change) + iteration 79: trace = 2.581896511248102 (0.00205359% change) linmin: converged after 3 iterations. - iteration 80: trace = 2.581814632582808 (0.0031693% change) - linmin: converged after 8 iterations. - iteration 81: trace = 2.581795111738478 (0.000756093% change) - large trace change predicted (0.00246215%) + iteration 80: trace = 2.581814681980694 (0.0031694% change) + linmin: converged after 4 iterations. + iteration 81: trace = 2.581795152588276 (0.000756424% change) + large trace change predicted (0.00246185%) linmin: converged after 3 iterations. - iteration 82: trace = 2.581731376217022 (0.00246868% change) + iteration 82: trace = 2.581731424869061 (0.00246838% change) linmin: converged after 3 iterations. - iteration 83: trace = 2.581679824632536 (0.0019968% change) + iteration 83: trace = 2.581679856265419 (0.00199746% change) linmin: converged after 3 iterations. - iteration 84: trace = 2.581660367994335 (0.000753645% change) - large trace change predicted (0.00226661%) + iteration 84: trace = 2.58166038950289 (0.000754038% change) + large trace change predicted (0.00226565%) linmin: converged after 3 iterations. - iteration 85: trace = 2.581601717821526 (0.00227183% change) + iteration 85: trace = 2.581601764250816 (0.00227086% change) linmin: converged after 3 iterations. - iteration 86: trace = 2.581512345867647 (0.00346194% change) + iteration 86: trace = 2.581512342919171 (0.00346385% change) linmin: converged after 3 iterations. - iteration 87: trace = 2.581471227992637 (0.0015928% change) - large trace change predicted (0.00460237%) + iteration 87: trace = 2.58147126866894 (0.00159111% change) + large trace change predicted (0.0046027%) linmin: converged after 3 iterations. - iteration 88: trace = 2.581352116263461 (0.00461421% change) + iteration 88: trace = 2.581352148373657 (0.00461454% change) linmin: converged after 3 iterations. - iteration 89: trace = 2.581296779531606 (0.00214373% change) + iteration 89: trace = 2.581296756499724 (0.00214587% change) linmin: converged after 3 iterations. - iteration 90: trace = 2.581194600924959 (0.0039585% change) + iteration 90: trace = 2.581194640523421 (0.00395607% change) linmin: converged after 3 iterations. - iteration 91: trace = 2.581064488612853 (0.00504091% change) - linmin: converged after 5 iterations. - iteration 92: trace = 2.581038716555532 (0.00099851% change) - large trace change predicted (0.0040394%) - linmin: converged after 5 iterations. - iteration 93: trace = 2.58093458776426 (0.00403446% change) - linmin: converged after 5 iterations. - iteration 94: trace = 2.580892432238924 (0.00163336% change) + iteration 91: trace = 2.581064531196068 (0.00504079% change) linmin: converged after 4 iterations. - iteration 95: trace = 2.580844724890247 (0.0018485% change) - linmin: converged after 6 iterations. - iteration 96: trace = 2.580750183705137 (0.00366325% change) + iteration 92: trace = 2.581038755219951 (0.000998662% change) + large trace change predicted (0.00403952%) + linmin: converged after 4 iterations. + iteration 93: trace = 2.580934623538789 (0.00403457% change) linmin: converged after 3 iterations. - iteration 97: trace = 2.580717828611179 (0.00125372% change) - large trace change predicted (0.0030374%) - linmin: converged after 5 iterations. - iteration 98: trace = 2.580639620565305 (0.00303052% change) + iteration 94: trace = 2.580892426508641 (0.00163496% change) linmin: converged after 3 iterations. - iteration 99: trace = 2.58058680556341 (0.00204661% change) + iteration 95: trace = 2.580844758791283 (0.00184696% change) linmin: converged after 4 iterations. - iteration 100: trace = 2.580568646580939 (0.000703679% change) - large trace change predicted (0.00145474%) - linmin: converged after 4 iterations. - iteration 101: trace = 2.580531174749226 (0.00145209% change) - linmin: converged after 6 iterations. - iteration 102: trace = 2.580515821400738 (0.00059497% change) + iteration 96: trace = 2.580750213296839 (0.00366342% change) linmin: converged after 3 iterations. - iteration 103: trace = 2.580499610257485 (0.000628215% change) + iteration 97: trace = 2.580717810929086 (0.00125555% change) + large trace change predicted (0.0030355%) linmin: converged after 4 iterations. - iteration 104: trace = 2.580473844714205 (0.000998476% change) + iteration 98: trace = 2.580639651337001 (0.00302864% change) linmin: converged after 3 iterations. - iteration 105: trace = 2.580463057663908 (0.000418027% change) - large trace change predicted (0.00115936%) + iteration 99: trace = 2.580586778671772 (0.00204884% change) + linmin: converged after 4 iterations. + iteration 100: trace = 2.580568670194117 (0.000701722% change) + large trace change predicted (0.00145446%) linmin: converged after 5 iterations. - iteration 106: trace = 2.580433181712845 (0.00115778% change) + iteration 101: trace = 2.58053120556123 (0.00145181% change) linmin: converged after 4 iterations. - iteration 107: trace = 2.580404842706844 (0.00109823% change) + iteration 102: trace = 2.580515842457029 (0.000595348% change) linmin: converged after 3 iterations. - iteration 108: trace = 2.580391220614823 (0.000527907% change) - large trace change predicted (0.00162401%) - linmin: converged after 6 iterations. - iteration 109: trace = 2.58034938545596 (0.00162129% change) + iteration 103: trace = 2.580499641348756 (0.000627826% change) + linmin: converged after 4 iterations. + iteration 104: trace = 2.580473875875714 (0.000998473% change) + linmin: converged after 3 iterations. + iteration 105: trace = 2.580463090019859 (0.000417981% change) + large trace change predicted (0.00115937%) + linmin: converged after 5 iterations. + iteration 106: trace = 2.580433213567582 (0.0011578% change) linmin: converged after 4 iterations. - iteration 110: trace = 2.580298612764278 (0.00196769% change) + iteration 107: trace = 2.580404861858095 (0.00109873% change) + linmin: converged after 3 iterations. + iteration 108: trace = 2.580391233519917 (0.000528149% change) + large trace change predicted (0.00162337%) linmin: converged after 4 iterations. - iteration 111: trace = 2.580288508159597 (0.000391607% change) - large trace change predicted (0.00143953%) + iteration 109: trace = 2.580349414667695 (0.00162065% change) + linmin: converged after 5 iterations. + iteration 110: trace = 2.58029848129102 (0.00197391% change) linmin: converged after 4 iterations. - iteration 112: trace = 2.580251404412864 (0.00143798% change) + iteration 111: trace = 2.580288513517587 (0.000386304% change) + large trace change predicted (0.00143954%) + linmin: converged after 6 iterations. + iteration 112: trace = 2.580251409238742 (0.001438% change) linmin: converged after 3 iterations. - iteration 113: trace = 2.58023664525397 (0.000572006% change) - linmin: converged after 11 iterations. - iteration 114: trace = 2.580210094826152 (0.001029% change) + iteration 113: trace = 2.580236443628279 (0.000580008% change) + linmin: converged after 5 iterations. + iteration 114: trace = 2.580210113848882 (0.00102045% change) + large trace change predicted (0.00204466%) linmin: converged after 3 iterations. - iteration 115: trace = 2.58015741422241 (0.00204174% change) + iteration 115: trace = 2.580157323186739 (0.002046% change) linmin: converged after 4 iterations. - iteration 116: trace = 2.58014461711526 (0.000495983% change) - large trace change predicted (0.00229676%) + iteration 116: trace = 2.580144581721222 (0.000493826% change) + large trace change predicted (0.00229447%) linmin: converged after 3 iterations. - iteration 117: trace = 2.580085296752692 (0.00229914% change) + iteration 117: trace = 2.580085320336889 (0.00229685% change) linmin: converged after 3 iterations. - iteration 118: trace = 2.580043058127242 (0.00163712% change) + iteration 118: trace = 2.580043055825409 (0.00163812% change) linmin: converged after 3 iterations. - iteration 119: trace = 2.580026058405644 (0.000658895% change) - large trace change predicted (0.00241022%) + iteration 119: trace = 2.580026014832921 (0.000660495% change) + large trace change predicted (0.00240775%) linmin: converged after 3 iterations. - iteration 120: trace = 2.57996378178859 (0.00241383% change) + iteration 120: trace = 2.579963802800284 (0.00241132% change) linmin: converged after 3 iterations. - iteration 121: trace = 2.579916640550724 (0.00182722% change) + iteration 121: trace = 2.579916691421904 (0.00182606% change) + linmin: converged after 4 iterations. + iteration 122: trace = 2.579904082927042 (0.000488718% change) + large trace change predicted (0.00145288%) linmin: converged after 3 iterations. - iteration 122: trace = 2.579904056238242 (0.000487781% change) - large trace change predicted (0.00145245%) + iteration 123: trace = 2.579866558079686 (0.00145452% change) linmin: converged after 3 iterations. - iteration 123: trace = 2.579866542252547 (0.0014541% change) - linmin: converged after 4 iterations. - iteration 124: trace = 2.579847592337901 (0.000734534% change) + iteration 124: trace = 2.579847462059882 (0.000740197% change) linmin: converged after 3 iterations. - iteration 125: trace = 2.579816281551699 (0.00121368% change) - linmin: converged after 4 iterations. - iteration 126: trace = 2.579774349284264 (0.00162541% change) + iteration 125: trace = 2.579816292321152 (0.00120821% change) + linmin: converged after 8 iterations. + iteration 126: trace = 2.579774290717891 (0.0016281% change) linmin: converged after 3 iterations. - iteration 127: trace = 2.579756590919291 (0.000688371% change) - large trace change predicted (0.00190679%) + iteration 127: trace = 2.579756064486843 (0.000706507% change) + large trace change predicted (0.00188691%) linmin: converged after 3 iterations. - iteration 128: trace = 2.579707395141529 (0.00190701% change) - linmin: converged after 4 iterations. - iteration 129: trace = 2.579653617637238 (0.00208466% change) - linmin: converged after 4 iterations. - iteration 130: trace = 2.579637916552168 (0.000608653% change) - large trace change predicted (0.00175039%) + iteration 128: trace = 2.579707375194976 (0.00188738% change) + linmin: converged after 3 iterations. + iteration 129: trace = 2.579651285322357 (0.0021743% change) linmin: converged after 4 iterations. - iteration 131: trace = 2.579592840731829 (0.00174739% change) + iteration 130: trace = 2.579637633817666 (0.000529201% change) + large trace change predicted (0.00173871%) linmin: converged after 4 iterations. - iteration 132: trace = 2.579574096929589 (0.000726621% change) + iteration 131: trace = 2.579592856788956 (0.0017358% change) + linmin: converged after 5 iterations. + iteration 132: trace = 2.579574135705812 (0.000725741% change) linmin: converged after 3 iterations. - iteration 133: trace = 2.579568114449036 (0.000231918% change) - large trace change predicted (0.001722%) - linmin: converged after 4 iterations. - iteration 134: trace = 2.579523666343963 (0.0017231% change) + iteration 133: trace = 2.579568154056614 (0.000231885% change) + large trace change predicted (0.00172247%) linmin: converged after 3 iterations. - iteration 135: trace = 2.579512581470192 (0.000429727% change) + iteration 134: trace = 2.579523694155991 (0.00172356% change) linmin: converged after 3 iterations. - iteration 136: trace = 2.579493216582579 (0.000750722% change) + iteration 135: trace = 2.579512803951674 (0.00042218% change) linmin: converged after 3 iterations. - iteration 137: trace = 2.579467345140199 (0.00100297% change) + iteration 136: trace = 2.579493241098438 (0.000758396% change) linmin: converged after 3 iterations. - iteration 138: trace = 2.579459760113513 (0.000294054% change) - large trace change predicted (0.00116611%) - linmin: converged after 8 iterations. - iteration 139: trace = 2.579429699942999 (0.00116537% change) + iteration 137: trace = 2.5794673886347 (0.00100224% change) + linmin: converged after 3 iterations. + iteration 138: trace = 2.579459892768023 (0.000290598% change) + large trace change predicted (0.0011704%) + linmin: converged after 3 iterations. + iteration 139: trace = 2.579429722352022 (0.00116965% change) resetting CG direction... linmin: converged after 3 iterations. - iteration 140: trace = 2.579415960578535 (0.000532653% change) - linmin: converged after 4 iterations. - iteration 141: trace = 2.579409114902801 (0.000265397% change) - linmin: converged after 7 iterations. - iteration 142: trace = 2.579396475750914 (0.000490003% change) + iteration 140: trace = 2.579416348459493 (0.000518484% change) linmin: converged after 4 iterations. - iteration 143: trace = 2.579389496853502 (0.000270564% change) + iteration 141: trace = 2.579409150640688 (0.000279049% change) + linmin: converged after 3 iterations. + iteration 142: trace = 2.579396532943565 (0.000489171% change) linmin: converged after 6 iterations. - iteration 144: trace = 2.579378564721089 (0.000423827% change) - linmin: converged after 4 iterations. - iteration 145: trace = 2.57935911532702 (0.000754037% change) + iteration 143: trace = 2.579389891575739 (0.000257478% change) linmin: converged after 4 iterations. - iteration 146: trace = 2.579354333271482 (0.000185397% change) - large trace change predicted (0.000499916%) + iteration 144: trace = 2.579378587316981 (0.000438254% change) linmin: converged after 4 iterations. - iteration 147: trace = 2.579341448525281 (0.000499535% change) + iteration 145: trace = 2.579359102868689 (0.000755396% change) linmin: converged after 3 iterations. - iteration 148: trace = 2.579326843829279 (0.00056622% change) + iteration 146: trace = 2.579354312666846 (0.000185713% change) + large trace change predicted (0.000498481%) + linmin: converged after 4 iterations. + iteration 147: trace = 2.579341464818157 (0.000498105% change) + linmin: converged after 5 iterations. + iteration 148: trace = 2.579326060490758 (0.000597221% change) + linmin: converged after 4 iterations. + iteration 149: trace = 2.579321004095074 (0.000196036% change) + large trace change predicted (0.000590498%) linmin: converged after 4 iterations. - iteration 149: trace = 2.579321332211588 (0.000213685% change) - large trace change predicted (0.000602531%) + iteration 150: trace = 2.579305774625977 (0.000590447% change) linmin: converged after 3 iterations. - iteration 150: trace = 2.579305792334234 (0.000602481% change) + iteration 151: trace = 2.579293619184 (0.000471269% change) linmin: converged after 4 iterations. - iteration 151: trace = 2.579295529599734 (0.000397888% change) + iteration 152: trace = 2.579281580986022 (0.000466726% change) linmin: converged after 3 iterations. - iteration 152: trace = 2.579281579557514 (0.000540848% change) + iteration 153: trace = 2.579262910459285 (0.000723868% change) linmin: converged after 4 iterations. - iteration 153: trace = 2.579262991642048 (0.000720665% change) + iteration 154: trace = 2.579257494900216 (0.000209966% change) + large trace change predicted (0.000488007%) linmin: converged after 4 iterations. - iteration 154: trace = 2.579257834287736 (0.000199955% change) - large trace change predicted (0.000501703%) - linmin: converged after 5 iterations. - iteration 155: trace = 2.579244893868627 (0.000501712% change) - linmin: converged after 12 iterations. - iteration 156: trace = 2.579230291884151 (0.000566136% change) + iteration 155: trace = 2.579244907110854 (0.00048804% change) linmin: converged after 3 iterations. - iteration 157: trace = 2.579225933151878 (0.000168994% change) - large trace change predicted (0.000602353%) - linmin: converged after 28 iterations. - iteration 158: trace = 2.579210404201151 (0.00060208% change) + iteration 156: trace = 2.579229681367175 (0.00059032% change) linmin: converged after 3 iterations. - iteration 159: trace = 2.579202201581079 (0.000318029% change) + iteration 157: trace = 2.579225866559465 (0.000147905% change) + large trace change predicted (0.00059964%) linmin: converged after 3 iterations. - iteration 160: trace = 2.579194288343271 (0.00030681% change) + iteration 158: trace = 2.579210407232344 (0.00059938% change) linmin: converged after 3 iterations. - iteration 161: trace = 2.579183234657636 (0.000428572% change) + iteration 159: trace = 2.579201481998036 (0.000346046% change) linmin: converged after 3 iterations. - iteration 162: trace = 2.579177094550377 (0.000238064% change) + iteration 160: trace = 2.579194279171798 (0.000279266% change) linmin: converged after 4 iterations. - iteration 163: trace = 2.57916659339966 (0.000407152% change) + iteration 161: trace = 2.579183225942757 (0.000428554% change) + linmin: converged after 3 iterations. + iteration 162: trace = 2.579176529939322 (0.000259618% change) + linmin: converged after 4 iterations. + iteration 163: trace = 2.579166603184715 (0.000384882% change) linmin: converged after 6 iterations. - iteration 164: trace = 2.579151163030524 (0.000598271% change) + iteration 164: trace = 2.579150944856121 (0.00060711% change) + linmin: converged after 3 iterations. + iteration 165: trace = 2.579147352089161 (0.0001393% change) + large trace change predicted (0.000291804%) linmin: converged after 3 iterations. - iteration 165: trace = 2.579147648594193 (0.000136263% change) - large trace change predicted (0.000303338%) + iteration 166: trace = 2.579139827678899 (0.000291741% change) + linmin: converged after 3 iterations. + iteration 167: trace = 2.579132557914883 (0.000281868% change) + linmin: converged after 3 iterations. + iteration 168: trace = 2.579130502599248 (7.96902e-05% change) + large trace change predicted (0.000320961%) + linmin: converged after 3 iterations. + iteration 169: trace = 2.579122220900403 (0.000321105% change) linmin: converged after 4 iterations. - iteration 166: trace = 2.57913982732519 (0.000303251% change) + iteration 170: trace = 2.579119348790912 (0.00011136% change) linmin: converged after 3 iterations. - iteration 167: trace = 2.579133123981774 (0.000259907% change) + iteration 171: trace = 2.579114511691451 (0.000187549% change) linmin: converged after 3 iterations. - iteration 168: trace = 2.579130526048661 (0.000100729% change) - large trace change predicted (0.000322419%) + iteration 172: trace = 2.579109328794867 (0.000200957% change) linmin: converged after 3 iterations. - iteration 169: trace = 2.579122206736161 (0.000322563% change) + iteration 173: trace = 2.579107944438415 (5.36758e-05% change) + large trace change predicted (0.000194399%) linmin: converged after 4 iterations. - iteration 170: trace = 2.579119316372324 (0.000112068% change) + iteration 174: trace = 2.579102927487218 (0.000194523% change) + linmin: converged after 3 iterations. + iteration 175: trace = 2.579098554519495 (0.000169554% change) linmin: converged after 4 iterations. - iteration 171: trace = 2.579114500842551 (0.000186712% change) + iteration 176: trace = 2.579096644422846 (7.40607e-05% change) + large trace change predicted (0.000230101%) linmin: converged after 3 iterations. - iteration 172: trace = 2.579109325546197 (0.000200662% change) + iteration 177: trace = 2.579090704337635 (0.000230317% change) linmin: converged after 3 iterations. - iteration 173: trace = 2.579107944741859 (5.3538e-05% change) - large trace change predicted (0.000194876%) + iteration 178: trace = 2.579087184495707 (0.000136476% change) linmin: converged after 3 iterations. - iteration 174: trace = 2.579102915570909 (0.000194997% change) - linmin: converged after 11 iterations. - iteration 175: trace = 2.579098411465147 (0.000174639% change) + iteration 179: trace = 2.579085278638006 (7.38966e-05% change) + large trace change predicted (0.000239817%) + linmin: converged after 5 iterations. + iteration 180: trace = 2.579079090669335 (0.000239929% change) + linmin: converged after 6 iterations. + iteration 181: trace = 2.579076559115399 (9.81573e-05% change) + large trace change predicted (0.000223886%) linmin: converged after 3 iterations. - iteration 176: trace = 2.579096620862684 (6.94275e-05% change) - large trace change predicted (0.000229779%) + iteration 182: trace = 2.579070782977838 (0.000223962% change) linmin: converged after 3 iterations. - iteration 177: trace = 2.57909068903246 (0.000229997% change) + iteration 183: trace = 2.579062239682779 (0.000331255% change) linmin: converged after 3 iterations. - iteration 178: trace = 2.57908722597381 (0.000134274% change) - linmin: converged after 4 iterations. - iteration 179: trace = 2.579085275581576 (7.56234e-05% change) - large trace change predicted (0.000238926%) + iteration 184: trace = 2.579059673890853 (9.94855e-05% change) + large trace change predicted (0.000235791%) linmin: converged after 3 iterations. - iteration 180: trace = 2.579079110485394 (0.000239042% change) - linmin: converged after 4 iterations. - iteration 181: trace = 2.579077118821251 (7.72239e-05% change) - large trace change predicted (0.000245839%) + iteration 185: trace = 2.579053591858655 (0.000235824% change) + linmin: converged after 3 iterations. + iteration 186: trace = 2.579044009053101 (0.000371564% change) linmin: converged after 4 iterations. - iteration 182: trace = 2.579070776674144 (0.000245908% change) + iteration 187: trace = 2.57904225627717 (6.79623e-05% change) + large trace change predicted (0.000291544%) linmin: converged after 4 iterations. - iteration 183: trace = 2.579062519937734 (0.000320144% change) + iteration 188: trace = 2.579034740302006 (0.000291425% change) linmin: converged after 4 iterations. - iteration 184: trace = 2.579059772313992 (0.000106536% change) - large trace change predicted (0.000240066%) - linmin: converged after 3 iterations. - iteration 185: trace = 2.579053579658166 (0.000240113% change) + iteration 189: trace = 2.579031419752305 (0.000128752% change) linmin: converged after 4 iterations. - iteration 186: trace = 2.579045264581167 (0.000322409% change) + iteration 190: trace = 2.579028650234389 (0.000107386% change) + large trace change predicted (0.000231492%) linmin: converged after 4 iterations. - iteration 187: trace = 2.579042485940616 (0.000107739% change) - large trace change predicted (0.000296458%) - linmin: converged after 3 iterations. - iteration 188: trace = 2.579034843461428 (0.000296331% change) + iteration 191: trace = 2.579022683426892 (0.000231359% change) linmin: converged after 4 iterations. - iteration 189: trace = 2.579032597962294 (8.70675e-05% change) + iteration 192: trace = 2.579021056534534 (6.30818e-05% change) + large trace change predicted (0.000180694%) linmin: converged after 4 iterations. - iteration 190: trace = 2.579028655164773 (0.000152879% change) + iteration 193: trace = 2.579016398115614 (0.000180628% change) linmin: converged after 4 iterations. - iteration 191: trace = 2.579022910879041 (0.000222731% change) - linmin: converged after 7 iterations. - iteration 192: trace = 2.579021622787959 (4.99449e-05% change) - large trace change predicted (0.000203214%) + iteration 194: trace = 2.579010722446426 (0.000220071% change) linmin: converged after 3 iterations. - iteration 193: trace = 2.579016385227683 (0.000203083% change) - linmin: converged after 7 iterations. - iteration 194: trace = 2.579010649159224 (0.000222413% change) + iteration 195: trace = 2.579009280573529 (5.5908e-05% change) + large trace change predicted (0.000152312%) linmin: converged after 4 iterations. - iteration 195: trace = 2.579009216830626 (5.55379e-05% change) - large trace change predicted (0.000151487%) - linmin: converged after 5 iterations. - iteration 196: trace = 2.579005312263789 (0.000151398% change) + iteration 196: trace = 2.579005355156945 (0.000152206% change) linmin: converged after 6 iterations. - iteration 197: trace = 2.579001471136257 (0.000148938% change) + iteration 197: trace = 2.579001114405037 (0.000164434% change) + linmin: converged after 14 iterations. + iteration 198: trace = 2.578999987475536 (4.36964e-05% change) + large trace change predicted (0.000135254%) + linmin: converged after 18 iterations. + iteration 199: trace = 2.578996502066893 (0.000135146% change) linmin: converged after 3 iterations. - iteration 198: trace = 2.579000202095394 (4.92067e-05% change) - large trace change predicted (0.000142495%) - linmin: converged after 4 iterations. - iteration 199: trace = 2.578996529822402 (0.000142391% change) + iteration 200: trace = 2.578993999885479 (9.70216e-05% change) linmin: converged after 3 iterations. - iteration 200: trace = 2.578995187350642 (5.2054e-05% change) - large trace change predicted (0.000131731%) + iteration 201: trace = 2.578991794258034 (8.55228e-05% change) linmin: converged after 4 iterations. - iteration 201: trace = 2.578991792415594 (0.000131638% change) + iteration 202: trace = 2.578988796059564 (0.000116255% change) + linmin: converged after 4 iterations. + iteration 203: trace = 2.578987503006985 (5.0138e-05% change) + large trace change predicted (0.000126046%) + linmin: converged after 6 iterations. + iteration 204: trace = 2.578984253685979 (0.000125992% change) linmin: converged after 3 iterations. - iteration 202: trace = 2.578988993888872 (0.000108512% change) + iteration 205: trace = 2.578980010144122 (0.000164543% change) linmin: converged after 5 iterations. - iteration 203: trace = 2.578987762684613 (4.77398e-05% change) - large trace change predicted (0.000135855%) - linmin: converged after 3 iterations. - iteration 204: trace = 2.578984260530736 (0.000135796% change) + iteration 206: trace = 2.578978773972264 (4.79326e-05% change) + large trace change predicted (0.000159515%) linmin: converged after 3 iterations. - iteration 205: trace = 2.578980856605261 (0.000131987% change) + iteration 207: trace = 2.578974659247834 (0.000159549% change) linmin: converged after 4 iterations. - iteration 206: trace = 2.578978830383538 (7.85668e-05% change) - large trace change predicted (0.000160162%) + iteration 208: trace = 2.57897244519188 (8.58503e-05% change) linmin: converged after 3 iterations. - iteration 207: trace = 2.578974698738432 (0.000160205% change) + iteration 209: trace = 2.578970583302807 (7.2195e-05% change) + resetting CG direction... linmin: converged after 3 iterations. - iteration 208: trace = 2.578973015751278 (6.5258e-05% change) + iteration 210: trace = 2.578969024993151 (6.04237e-05% change) linmin: converged after 3 iterations. - iteration 209: trace = 2.578970593185892 (9.39353e-05% change) - resetting CG direction... + iteration 211: trace = 2.578967712685583 (5.0885e-05% change) linmin: converged after 3 iterations. - iteration 210: trace = 2.578968714970213 (7.28281e-05% change) - linmin: converged after 4 iterations. - iteration 211: trace = 2.578967709801617 (3.89756e-05% change) - large trace change predicted (8.45731e-05%) + iteration 212: trace = 2.578965541705966 (8.41802e-05% change) linmin: converged after 3 iterations. - iteration 212: trace = 2.578965528390797 (8.45847e-05% change) + iteration 213: trace = 2.578964891137079 (2.5226e-05% change) + large trace change predicted (8.57375e-05%) linmin: converged after 3 iterations. - iteration 213: trace = 2.578964563648843 (3.74081e-05% change) - linmin: converged after 4 iterations. - iteration 214: trace = 2.578962691495152 (7.25933e-05% change) - linmin: converged after 4 iterations. - iteration 215: trace = 2.578960582717608 (8.17685e-05% change) - linmin: converged after 5 iterations. - iteration 216: trace = 2.578959861533169 (2.79642e-05% change) - large trace change predicted (6.89091e-05%) - linmin: converged after 4 iterations. - iteration 217: trace = 2.578958084037421 (6.8923e-05% change) - linmin: converged after 4 iterations. - iteration 218: trace = 2.578955797477816 (8.86622e-05% change) + iteration 214: trace = 2.578962679300103 (8.57646e-05% change) + linmin: converged after 3 iterations. + iteration 215: trace = 2.578960825469062 (7.18828e-05% change) linmin: converged after 3 iterations. - iteration 219: trace = 2.57895504299751 (2.92553e-05% change) - large trace change predicted (7.33764e-05%) + iteration 216: trace = 2.578959982212411 (3.26975e-05% change) + large trace change predicted (7.42978e-05%) linmin: converged after 4 iterations. - iteration 220: trace = 2.578953149960638 (7.34033e-05% change) + iteration 217: trace = 2.578958065688447 (7.43139e-05% change) linmin: converged after 3 iterations. - iteration 221: trace = 2.578952452927342 (2.70278e-05% change) + iteration 218: trace = 2.578956199594498 (7.23585e-05% change) + linmin: converged after 4 iterations. + iteration 219: trace = 2.578955038469962 (4.50231e-05% change) linmin: converged after 3 iterations. - iteration 222: trace = 2.578951239347376 (4.70571e-05% change) + iteration 220: trace = 2.578953164515758 (7.26633e-05% change) linmin: converged after 3 iterations. - iteration 223: trace = 2.578949560038214 (6.5116e-05% change) + iteration 221: trace = 2.578952650946152 (1.99139e-05% change) + large trace change predicted (5.54899e-05%) linmin: converged after 3 iterations. - iteration 224: trace = 2.578948829317527 (2.8334e-05% change) - large trace change predicted (6.89296e-05%) + iteration 222: trace = 2.578951219506765 (5.55047e-05% change) linmin: converged after 3 iterations. - iteration 225: trace = 2.57894705091941 (6.89583e-05% change) - linmin: converged after 4 iterations. - iteration 226: trace = 2.578944887353176 (8.38934e-05% change) - linmin: converged after 4 iterations. - iteration 227: trace = 2.578944180787921 (2.73975e-05% change) - large trace change predicted (0.000106351%) + iteration 223: trace = 2.578949598426201 (6.28582e-05% change) linmin: converged after 5 iterations. - iteration 228: trace = 2.578941437166416 (0.000106386% change) + iteration 224: trace = 2.578949048126613 (2.13381e-05% change) + large trace change predicted (7.79608e-05%) linmin: converged after 3 iterations. - iteration 229: trace = 2.578939973196951 (5.67663e-05% change) + iteration 225: trace = 2.578947036858974 (7.79879e-05% change) linmin: converged after 3 iterations. - iteration 230: trace = 2.578938658299422 (5.0986e-05% change) + iteration 226: trace = 2.578945084641194 (7.56983e-05% change) linmin: converged after 3 iterations. - iteration 231: trace = 2.578936212270739 (9.48464e-05% change) + iteration 227: trace = 2.578944180910709 (3.50426e-05% change) + large trace change predicted (0.000106157%) linmin: converged after 3 iterations. - iteration 232: trace = 2.578935104609958 (4.29503e-05% change) + iteration 228: trace = 2.578941442344724 (0.000106189% change) linmin: converged after 3 iterations. - iteration 233: trace = 2.57893355483672 (6.00936e-05% change) - linmin: converged after 3 iterations. - iteration 234: trace = 2.578932051113395 (5.8308e-05% change) + iteration 229: trace = 2.57894064034268 (3.10981e-05% change) + large trace change predicted (7.82624e-05%) linmin: converged after 4 iterations. - iteration 235: trace = 2.578931430256686 (2.40742e-05% change) - large trace change predicted (6.3687e-05%) + iteration 230: trace = 2.578938621682461 (7.82748e-05% change) + linmin: converged after 3 iterations. + iteration 231: trace = 2.578936181627742 (9.46147e-05% change) linmin: converged after 4 iterations. - iteration 236: trace = 2.578929787965555 (6.36811e-05% change) - linmin: converged after 7 iterations. - iteration 237: trace = 2.578927732842243 (7.9689e-05% change) - linmin: converged after 5 iterations. - iteration 238: trace = 2.578927370696145 (1.40425e-05% change) - large trace change predicted (7.88144e-05%) + iteration 232: trace = 2.578935012053704 (4.5351e-05% change) + linmin: converged after 19 iterations. + iteration 233: trace = 2.578933517611442 (5.79481e-05% change) linmin: converged after 3 iterations. - iteration 239: trace = 2.578925339249452 (7.8771e-05% change) + iteration 234: trace = 2.57893196032186 (6.0385e-05% change) linmin: converged after 3 iterations. - iteration 240: trace = 2.578924460385541 (3.40787e-05% change) - linmin: converged after 8 iterations. - iteration 241: trace = 2.578923850546401 (2.3647e-05% change) - large trace change predicted (4.97598e-05%) + iteration 235: trace = 2.578931332042248 (2.4362e-05% change) + large trace change predicted (6.07378e-05%) + linmin: converged after 4 iterations. + iteration 236: trace = 2.578929765755658 (6.0734e-05% change) linmin: converged after 3 iterations. - iteration 242: trace = 2.578922567884795 (4.97363e-05% change) + iteration 237: trace = 2.578927772435597 (7.72926e-05% change) linmin: converged after 3 iterations. - iteration 243: trace = 2.578922080751145 (1.8889e-05% change) + iteration 238: trace = 2.578927378827521 (1.52625e-05% change) + large trace change predicted (8.04972e-05%) + linmin: converged after 7 iterations. + iteration 239: trace = 2.578925304104533 (8.04491e-05% change) linmin: converged after 3 iterations. - iteration 244: trace = 2.578921459580042 (2.40865e-05% change) + iteration 240: trace = 2.578924605623797 (2.70842e-05% change) linmin: converged after 4 iterations. - iteration 245: trace = 2.578920588759444 (3.37669e-05% change) + iteration 241: trace = 2.578923818403084 (3.05252e-05% change) linmin: converged after 3 iterations. - iteration 246: trace = 2.578920152669645 (1.69098e-05% change) - linmin: converged after 3 iterations. - iteration 247: trace = 2.578919528317649 (2.42098e-05% change) + iteration 242: trace = 2.578922558192368 (4.88658e-05% change) + linmin: converged after 16 iterations. + iteration 243: trace = 2.578922216726478 (1.32406e-05% change) + large trace change predicted (3.00988e-05%) linmin: converged after 4 iterations. - iteration 248: trace = 2.57891839601165 (4.39062e-05% change) + iteration 244: trace = 2.57892144073252 (3.00899e-05% change) linmin: converged after 3 iterations. - iteration 249: trace = 2.578918027857583 (1.42755e-05% change) - large trace change predicted (4.59907e-05%) - linmin: converged after 4 iterations. - iteration 250: trace = 2.578916842021182 (4.59819e-05% change) - linmin: converged after 4 iterations. - iteration 251: trace = 2.578916059169786 (3.03558e-05% change) - linmin: converged after 4 iterations. - iteration 252: trace = 2.578915623446967 (1.68956e-05% change) + iteration 245: trace = 2.578920589702281 (3.29995e-05% change) linmin: converged after 3 iterations. - iteration 253: trace = 2.578914755413444 (3.36589e-05% change) + iteration 246: trace = 2.578920322694715 (1.03535e-05% change) + large trace change predicted (3.14155e-05%) linmin: converged after 3 iterations. - iteration 254: trace = 2.578914220269266 (2.07508e-05% change) + iteration 247: trace = 2.578919512641817 (3.14105e-05% change) linmin: converged after 3 iterations. - iteration 255: trace = 2.578913286361983 (3.62132e-05% change) + iteration 248: trace = 2.578918552431662 (3.7233e-05% change) + linmin: converged after 8 iterations. + iteration 249: trace = 2.578918145921565 (1.57628e-05% change) + large trace change predicted (5.08808e-05%) + linmin: converged after 5 iterations. + iteration 250: trace = 2.578916833914689 (5.08743e-05% change) + linmin: converged after 4 iterations. + iteration 251: trace = 2.578916274245472 (2.17017e-05% change) linmin: converged after 3 iterations. - iteration 256: trace = 2.578911970243699 (5.10338e-05% change) + iteration 252: trace = 2.578915617054873 (2.54832e-05% change) linmin: converged after 3 iterations. - iteration 257: trace = 2.578911690891971 (1.08322e-05% change) - large trace change predicted (4.1962e-05%) + iteration 253: trace = 2.578914763520985 (3.30966e-05% change) linmin: converged after 19 iterations. - iteration 258: trace = 2.57891060870616 (4.19629e-05% change) + iteration 254: trace = 2.57891437688814 (1.49921e-05% change) + large trace change predicted (4.25358e-05%) + linmin: converged after 4 iterations. + iteration 255: trace = 2.57891327956271 (4.25499e-05% change) linmin: converged after 3 iterations. - iteration 259: trace = 2.578909258395869 (5.23597e-05% change) + iteration 256: trace = 2.578912187762322 (4.23357e-05% change) linmin: converged after 3 iterations. - iteration 260: trace = 2.578908933608401 (1.2594e-05% change) - large trace change predicted (6.02701e-05%) + iteration 257: trace = 2.578911710457914 (1.8508e-05% change) + large trace change predicted (4.32171e-05%) linmin: converged after 3 iterations. - iteration 261: trace = 2.578907379207026 (6.02736e-05% change) + iteration 258: trace = 2.578910595913594 (4.32176e-05% change) linmin: converged after 3 iterations. - iteration 262: trace = 2.578906522316381 (3.32269e-05% change) - linmin: converged after 2 iterations. - iteration 263: trace = 2.578905991059567 (2.06001e-05% change) + iteration 259: trace = 2.578909231644424 (5.2901e-05% change) linmin: converged after 4 iterations. - iteration 264: trace = 2.578905011242142 (3.79935e-05% change) + iteration 260: trace = 2.57890881934457 (1.59874e-05% change) + large trace change predicted (5.61196e-05%) + linmin: converged after 3 iterations. + iteration 261: trace = 2.578907372004461 (5.61222e-05% change) + linmin: converged after 7 iterations. + iteration 262: trace = 2.578906579284065 (3.07386e-05% change) + linmin: converged after 3 iterations. + iteration 263: trace = 2.57890599027973 (2.28393e-05% change) linmin: converged after 4 iterations. - iteration 265: trace = 2.57890431127686 (2.7142e-05% change) + iteration 264: trace = 2.578905013088925 (3.78917e-05% change) + linmin: converged after 3 iterations. + iteration 265: trace = 2.578904499897552 (1.98996e-05% change) linmin: converged after 4 iterations. - iteration 266: trace = 2.578903889516543 (1.63542e-05% change) - large trace change predicted (4.42885e-05%) + iteration 266: trace = 2.578903889478581 (2.36697e-05% change) linmin: converged after 3 iterations. - iteration 267: trace = 2.578902747575397 (4.42801e-05% change) + iteration 267: trace = 2.578902785840012 (4.27949e-05% change) linmin: converged after 4 iterations. - iteration 268: trace = 2.578902526433914 (8.57502e-06% change) - large trace change predicted (3.14436e-05%) + iteration 268: trace = 2.578902569385028 (8.3933e-06% change) + large trace change predicted (3.32104e-05%) linmin: converged after 3 iterations. - iteration 269: trace = 2.578901715648348 (3.14392e-05% change) + iteration 269: trace = 2.578901713064252 (3.32049e-05% change) linmin: converged after 3 iterations. - iteration 270: trace = 2.578900890314848 (3.20033e-05% change) + iteration 270: trace = 2.578900946459387 (2.9726e-05% change) linmin: converged after 3 iterations. - iteration 271: trace = 2.578900701551541 (7.31953e-06% change) - large trace change predicted (2.65202e-05%) - linmin: converged after 5 iterations. - iteration 272: trace = 2.578900017648208 (2.65192e-05% change) + iteration 271: trace = 2.57890071133204 (9.11735e-06% change) + large trace change predicted (2.69453e-05%) + linmin: converged after 7 iterations. + iteration 272: trace = 2.578900016472335 (2.6944e-05% change) linmin: converged after 3 iterations. - iteration 273: trace = 2.578899271387342 (2.89372e-05% change) + iteration 273: trace = 2.578899353522889 (2.57067e-05% change) + linmin: converged after 4 iterations. + iteration 274: trace = 2.578899129657061 (8.68067e-06% change) + large trace change predicted (2.59413e-05%) + linmin: converged after 4 iterations. + iteration 275: trace = 2.578898460632815 (2.59422e-05% change) + linmin: converged after 4 iterations. + iteration 276: trace = 2.578898216040247 (9.48438e-06% change) linmin: converged after 3 iterations. - iteration 274: trace = 2.578899118432121 (5.93103e-06% change) - large trace change predicted (2.54228e-05%) + iteration 277: trace = 2.57889786898723 (1.34574e-05% change) linmin: converged after 3 iterations. - iteration 275: trace = 2.578898462777596 (2.54238e-05% change) - linmin: converged after 4 iterations. - iteration 276: trace = 2.578898159127796 (1.17744e-05% change) - linmin: converged after 5 iterations. - iteration 277: trace = 2.578897869249839 (1.12404e-05% change) - large trace change predicted (2.31179e-05%) - linmin: converged after 7 iterations. - iteration 278: trace = 2.578897273050618 (2.31184e-05% change) - linmin: converged after 5 iterations. - iteration 279: trace = 2.578896730929192 (2.10214e-05% change) + iteration 278: trace = 2.578897278534714 (2.28955e-05% change) + linmin: converged after 3 iterations. + iteration 279: trace = 2.578896967563421 (1.20583e-05% change) resetting CG direction... linmin: converged after 3 iterations. - iteration 280: trace = 2.578896287665295 (1.71881e-05% change) + iteration 280: trace = 2.578896689162897 (1.07953e-05% change) + linmin: converged after 5 iterations. + iteration 281: trace = 2.578896263684892 (1.64985e-05% change) linmin: converged after 3 iterations. - iteration 281: trace = 2.5788958899988 (1.542e-05% change) + iteration 282: trace = 2.578896071394307 (7.45631e-06% change) linmin: converged after 3 iterations. - iteration 282: trace = 2.578895754454166 (5.25592e-06% change) - linmin: converged after 2 iterations. - iteration 283: trace = 2.578895485195463 (1.04409e-05% change) + iteration 283: trace = 2.578895855026519 (8.38994e-06% change) + linmin: converged after 5 iterations. + iteration 284: trace = 2.578895428691388 (1.65317e-05% change) linmin: converged after 3 iterations. - iteration 284: trace = 2.578895087730657 (1.54122e-05% change) + iteration 285: trace = 2.57889532944716 (3.84832e-06% change) + large trace change predicted (1.81516e-05%) + linmin: converged after 8 iterations. + iteration 286: trace = 2.578894861387275 (1.81496e-05% change) linmin: converged after 3 iterations. - iteration 285: trace = 2.578894975971315 (4.33361e-06% change) - large trace change predicted (1.81265e-05%) + iteration 287: trace = 2.578894468990689 (1.52157e-05% change) linmin: converged after 3 iterations. - iteration 286: trace = 2.578894508574154 (1.81239e-05% change) - linmin: converged after 4 iterations. - iteration 287: trace = 2.57889410801878 (1.55321e-05% change) - linmin: converged after 4 iterations. - iteration 288: trace = 2.578893999560019 (4.20563e-06% change) - large trace change predicted (1.59254e-05%) + iteration 288: trace = 2.578894351613195 (4.55147e-06% change) + large trace change predicted (1.72047e-05%) linmin: converged after 3 iterations. - iteration 289: trace = 2.578893588928751 (1.59228e-05% change) - linmin: converged after 7 iterations. - iteration 290: trace = 2.578893306795367 (1.09401e-05% change) + iteration 289: trace = 2.578893907979685 (1.72025e-05% change) linmin: converged after 4 iterations. - iteration 291: trace = 2.578893123980304 (7.0889e-06% change) - large trace change predicted (1.69244e-05%) - linmin: converged after 3 iterations. - iteration 292: trace = 2.578892687544148 (1.69234e-05% change) - linmin: converged after 3 iterations. - iteration 293: trace = 2.578892518215895 (6.56593e-06% change) + iteration 290: trace = 2.57889357927163 (1.27461e-05% change) + linmin: converged after 9 iterations. + iteration 291: trace = 2.578893424884766 (5.98655e-06% change) + large trace change predicted (1.72235e-05%) linmin: converged after 3 iterations. - iteration 294: trace = 2.578892241221396 (1.07408e-05% change) + iteration 292: trace = 2.578892980729399 (1.72227e-05% change) linmin: converged after 3 iterations. - iteration 295: trace = 2.578891835610835 (1.57281e-05% change) + iteration 293: trace = 2.578892745123413 (9.13594e-06% change) linmin: converged after 3 iterations. - iteration 296: trace = 2.578891612915137 (8.63533e-06% change) + iteration 294: trace = 2.578892523285837 (8.60205e-06% change) + linmin: converged after 14 iterations. + iteration 295: trace = 2.578892133495962 (1.51146e-05% change) linmin: converged after 3 iterations. - iteration 297: trace = 2.57889126373564 (1.35399e-05% change) + iteration 296: trace = 2.578891886451743 (9.57947e-06% change) + linmin: converged after 5 iterations. + iteration 297: trace = 2.578891551361941 (1.29936e-05% change) linmin: converged after 3 iterations. - iteration 298: trace = 2.578890876180742 (1.5028e-05% change) + iteration 298: trace = 2.578891094256073 (1.77249e-05% change) + linmin: converged after 4 iterations. + iteration 299: trace = 2.578890957722832 (5.29426e-06% change) + large trace change predicted (1.44263e-05%) + linmin: converged after 4 iterations. + iteration 300: trace = 2.57889058571662 (1.4425e-05% change) linmin: converged after 3 iterations. - iteration 299: trace = 2.578890683270827 (7.48034e-06% change) + iteration 301: trace = 2.57889032419133 (1.0141e-05% change) + linmin: converged after 2 iterations. + iteration 302: trace = 2.578890186526993 (5.33812e-06% change) + large trace change predicted (1.31714e-05%) linmin: converged after 3 iterations. - iteration 300: trace = 2.578890325968974 (1.38549e-05% change) - linmin: converged after 5 iterations. - iteration 301: trace = 2.578890085566034 (9.32195e-06% change) - linmin: converged after 4 iterations. - iteration 302: trace = 2.578889936017831 (5.79894e-06% change) - large trace change predicted (1.31324e-05%) - linmin: converged after 19 iterations. - iteration 303: trace = 2.578889597397355 (1.31305e-05% change) + iteration 303: trace = 2.578889846909576 (1.31691e-05% change) linmin: converged after 2 iterations. - iteration 304: trace = 2.5788895208872 (2.96679e-06% change) - large trace change predicted (9.17308e-06%) - linmin: converged after 4 iterations. - iteration 305: trace = 2.578889284341206 (9.1724e-06% change) + iteration 304: trace = 2.57888977571756 (2.76057e-06% change) + large trace change predicted (9.90455e-06%) linmin: converged after 4 iterations. - iteration 306: trace = 2.578889040073928 (9.4718e-06% change) + iteration 305: trace = 2.578889520323493 (9.90326e-06% change) + linmin: converged after 5 iterations. + iteration 306: trace = 2.578889263235032 (9.96896e-06% change) linmin: converged after 3 iterations. - iteration 307: trace = 2.578888806884359 (9.04225e-06% change) + iteration 307: trace = 2.578888997420009 (1.03073e-05% change) linmin: converged after 3 iterations. - iteration 308: trace = 2.578888736130238 (2.74359e-06% change) - large trace change predicted (1.0083e-05%) + iteration 308: trace = 2.578888947834179 (1.92276e-06% change) + large trace change predicted (1.03701e-05%) + linmin: converged after 3 iterations. + iteration 309: trace = 2.578888680384384 (1.03707e-05% change) + linmin: converged after 5 iterations. + iteration 310: trace = 2.578888544484949 (5.26969e-06% change) linmin: converged after 4 iterations. - iteration 309: trace = 2.578888476085962 (1.00836e-05% change) + iteration 311: trace = 2.5788884168919 (4.9476e-06% change) linmin: converged after 3 iterations. - iteration 310: trace = 2.578888389309429 (3.36488e-06% change) + iteration 312: trace = 2.578888239384663 (6.88309e-06% change) + linmin: converged after 2 iterations. + iteration 313: trace = 2.578888187760453 (2.0018e-06% change) + large trace change predicted (5.16025e-06%) linmin: converged after 4 iterations. - iteration 311: trace = 2.578888222547906 (6.46641e-06% change) - linmin: converged after 18 iterations. - iteration 312: trace = 2.578888068859919 (5.95947e-06% change) + iteration 314: trace = 2.578888054678745 (5.16043e-06% change) linmin: converged after 4 iterations. - iteration 313: trace = 2.578888019568005 (1.91136e-06% change) - large trace change predicted (5.76668e-06%) + iteration 315: trace = 2.57888789067438 (6.3595e-06% change) linmin: converged after 4 iterations. - iteration 314: trace = 2.578887870845399 (5.76693e-06% change) + iteration 316: trace = 2.578887852580753 (1.47713e-06% change) + large trace change predicted (7.34315e-06%) linmin: converged after 4 iterations. - iteration 315: trace = 2.578887718433325 (5.90999e-06% change) + iteration 317: trace = 2.578887663188407 (7.34395e-06% change) linmin: converged after 3 iterations. - iteration 316: trace = 2.578887677161438 (1.60038e-06% change) - large trace change predicted (7.15223e-06%) + iteration 318: trace = 2.578887506923566 (6.05939e-06% change) linmin: converged after 3 iterations. - iteration 317: trace = 2.578887492693028 (7.15302e-06% change) - linmin: converged after 4 iterations. - iteration 318: trace = 2.578887351236361 (5.48518e-06% change) - linmin: converged after 5 iterations. - iteration 319: trace = 2.578887270444731 (3.13281e-06% change) - large trace change predicted (1.02195e-05%) - linmin: converged after 4 iterations. - iteration 320: trace = 2.578887006872511 (1.02204e-05% change) + iteration 319: trace = 2.578887438254495 (2.66274e-06% change) + large trace change predicted (1.06036e-05%) linmin: converged after 3 iterations. - iteration 321: trace = 2.578886955611378 (1.98772e-06% change) - large trace change predicted (7.85794e-06%) - linmin: converged after 2 iterations. - iteration 322: trace = 2.578886752955543 (7.85827e-06% change) - linmin: converged after 5 iterations. - iteration 323: trace = 2.578886590840106 (6.28626e-06% change) + iteration 320: trace = 2.578887164776132 (1.06045e-05% change) + linmin: converged after 3 iterations. + iteration 321: trace = 2.57888701395845 (5.84817e-06% change) linmin: converged after 2 iterations. - iteration 324: trace = 2.578886530251842 (2.3494e-06% change) - large trace change predicted (5.63931e-06%) + iteration 322: trace = 2.57888690075512 (4.38962e-06% change) + linmin: converged after 7 iterations. + iteration 323: trace = 2.578886719202819 (7.03995e-06% change) linmin: converged after 3 iterations. - iteration 325: trace = 2.5788863848269 (5.63906e-06% change) + iteration 324: trace = 2.578886640517274 (3.05114e-06% change) linmin: converged after 3 iterations. - iteration 326: trace = 2.578886232586593 (5.90334e-06% change) + iteration 325: trace = 2.5788865230708 (4.55415e-06% change) + linmin: converged after 7 iterations. + iteration 326: trace = 2.578886316518767 (8.00935e-06% change) + linmin: converged after 17 iterations. + iteration 327: trace = 2.578886273607597 (1.66394e-06% change) + large trace change predicted (7.19439e-06%) linmin: converged after 3 iterations. - iteration 327: trace = 2.57888615054765 (3.18118e-06% change) - large trace change predicted (7.48174e-06%) - linmin: converged after 4 iterations. - iteration 328: trace = 2.578885957625688 (7.48083e-06% change) + iteration 328: trace = 2.578886088096683 (7.19345e-06% change) linmin: converged after 4 iterations. - iteration 329: trace = 2.578885864164633 (3.62409e-06% change) - linmin: converged after 3 iterations. - iteration 330: trace = 2.578885776693701 (3.39181e-06% change) - large trace change predicted (7.33093e-06%) + iteration 329: trace = 2.578885956023299 (5.12133e-06% change) + linmin: converged after 2 iterations. + iteration 330: trace = 2.578885896544429 (2.30638e-06% change) + large trace change predicted (7.34653e-06%) linmin: converged after 3 iterations. - iteration 331: trace = 2.578885587670807 (7.32963e-06% change) - linmin: converged after 27 iterations. - iteration 332: trace = 2.578885538373884 (1.91156e-06% change) - large trace change predicted (5.04363e-06%) + iteration 331: trace = 2.578885707124728 (7.34502e-06% change) + linmin: converged after 4 iterations. + iteration 332: trace = 2.578885647143698 (2.32585e-06% change) linmin: converged after 3 iterations. - iteration 333: trace = 2.578885408321698 (5.04296e-06% change) - linmin: converged after 5 iterations. - iteration 334: trace = 2.578885265495369 (5.5383e-06% change) - linmin: converged after 16 iterations. - iteration 335: trace = 2.578885235565986 (1.16056e-06% change) - large trace change predicted (3.35533e-06%) - linmin: converged after 5 iterations. - iteration 336: trace = 2.578885149043622 (3.35503e-06% change) + iteration 333: trace = 2.578885527667856 (4.63285e-06% change) + linmin: converged after 8 iterations. + iteration 334: trace = 2.578885376735498 (5.85262e-06% change) linmin: converged after 4 iterations. - iteration 337: trace = 2.578885066707878 (3.19269e-06% change) + iteration 335: trace = 2.578885299879785 (2.98019e-06% change) linmin: converged after 8 iterations. - iteration 338: trace = 2.578885041183195 (9.89757e-07% change) - large trace change predicted (3.32552e-06%) - linmin: converged after 3 iterations. - iteration 339: trace = 2.578884955426909 (3.32532e-06% change) + iteration 336: trace = 2.578885261446965 (1.49029e-06% change) + large trace change predicted (3.45471e-06%) linmin: converged after 4 iterations. - iteration 340: trace = 2.578884848723537 (4.13758e-06% change) - linmin: converged after 14 iterations. - iteration 341: trace = 2.578884818458568 (1.17357e-06% change) - large trace change predicted (4.0853e-06%) - linmin: converged after 7 iterations. - iteration 342: trace = 2.57888471310624 (4.08519e-06% change) - linmin: converged after 18 iterations. - iteration 343: trace = 2.578884642392182 (2.74204e-06% change) + iteration 337: trace = 2.578885172362571 (3.45438e-06% change) + linmin: converged after 8 iterations. + iteration 338: trace = 2.578885123993447 (1.87558e-06% change) linmin: converged after 3 iterations. - iteration 344: trace = 2.578884602713305 (1.53861e-06% change) - large trace change predicted (4.4568e-06%) + iteration 339: trace = 2.578885060015053 (2.48085e-06% change) linmin: converged after 5 iterations. - iteration 345: trace = 2.57888448777896 (4.45675e-06% change) + iteration 340: trace = 2.578884932589457 (4.94111e-06% change) linmin: converged after 2 iterations. - iteration 346: trace = 2.578884431780175 (2.17143e-06% change) - linmin: converged after 4 iterations. - iteration 347: trace = 2.578884386051757 (1.77319e-06% change) - linmin: converged after 2 iterations. - iteration 348: trace = 2.57888431058125 (2.92648e-06% change) + iteration 341: trace = 2.578884901602148 (1.20158e-06% change) + large trace change predicted (3.53359e-06%) + linmin: converged after 23 iterations. + iteration 342: trace = 2.578884810475351 (3.53357e-06% change) + linmin: converged after 12 iterations. + iteration 343: trace = 2.578884719930284 (3.51102e-06% change) linmin: converged after 24 iterations. - iteration 349: trace = 2.578884267815745 (1.65829e-06% change) + iteration 344: trace = 2.578884693254331 (1.0344e-06% change) + large trace change predicted (4.55236e-06%) + linmin: converged after 3 iterations. + iteration 345: trace = 2.578884575856596 (4.55227e-06% change) + linmin: converged after 7 iterations. + iteration 346: trace = 2.578884525483282 (1.9533e-06% change) + linmin: converged after 2 iterations. + iteration 347: trace = 2.578884469210819 (2.18205e-06% change) + linmin: converged after 2 iterations. + iteration 348: trace = 2.578884388189699 (3.14171e-06% change) + large trace change predicted (6.93484e-06%) + linmin: converged after 3 iterations. + iteration 349: trace = 2.578884209359431 (6.9344e-06% change) resetting CG direction... - linmin: converged after 9 iterations. - iteration 350: trace = 2.57888422833012 (1.53111e-06% change) - linmin: converged after 6 iterations. - iteration 351: trace = 2.578884167212491 (2.36993e-06% change) linmin: converged after 3 iterations. - iteration 352: trace = 2.578884135134724 (1.24386e-06% change) + iteration 350: trace = 2.578884086599061 (4.76021e-06% change) linmin: converged after 2 iterations. - iteration 353: trace = 2.578884090075526 (1.74724e-06% change) + iteration 351: trace = 2.578884024512002 (2.40752e-06% change) + linmin: converged after 17 iterations. + iteration 352: trace = 2.578884004730773 (7.67046e-07% change) + large trace change predicted (2.09639e-06%) linmin: converged after 3 iterations. - iteration 354: trace = 2.578884011742868 (3.03746e-06% change) + iteration 353: trace = 2.57888395066555 (2.09646e-06% change) + linmin: converged after 2 iterations. + iteration 354: trace = 2.578883886493269 (2.48837e-06% change) + linmin: converged after 4 iterations. + iteration 355: trace = 2.578883870594075 (6.16515e-07% change) + large trace change predicted (2.57553e-06%) linmin: converged after 3 iterations. - iteration 355: trace = 2.578883994515857 (6.68003e-07% change) - large trace change predicted (2.17546e-06%) - linmin: converged after 5 iterations. - iteration 356: trace = 2.578883938409311 (2.17561e-06% change) + iteration 356: trace = 2.57888380417005 (2.57569e-06% change) linmin: converged after 3 iterations. - iteration 357: trace = 2.578883881997645 (2.18744e-06% change) + iteration 357: trace = 2.578883765117948 (1.5143e-06% change) linmin: converged after 3 iterations. - iteration 358: trace = 2.578883862483115 (7.56704e-07% change) - large trace change predicted (2.56736e-06%) + iteration 358: trace = 2.578883739235516 (1.00363e-06% change) linmin: converged after 4 iterations. - iteration 359: trace = 2.578883796268618 (2.56756e-06% change) + iteration 359: trace = 2.578883689230569 (1.93902e-06% change) linmin: converged after 4 iterations. - iteration 360: trace = 2.578883777226458 (7.38388e-07% change) + iteration 360: trace = 2.578883668701016 (7.96064e-07% change) + linmin: converged after 9 iterations. + iteration 361: trace = 2.578883636555216 (1.2465e-06% change) linmin: converged after 2 iterations. - iteration 361: trace = 2.578883743261209 (1.31705e-06% change) + iteration 362: trace = 2.578883585722065 (1.97113e-06% change) + linmin: converged after 5 iterations. + iteration 363: trace = 2.578883571591491 (5.47934e-07% change) + large trace change predicted (1.62868e-06%) linmin: converged after 3 iterations. - iteration 362: trace = 2.578883702488097 (1.58104e-06% change) - linmin: converged after 4 iterations. - iteration 363: trace = 2.57888368633559 (6.26337e-07% change) - large trace change predicted (1.65619e-06%) + iteration 364: trace = 2.578883529586903 (1.62879e-06% change) + linmin: converged after 3 iterations. + iteration 365: trace = 2.57888347737219 (2.0247e-06% change) linmin: converged after 2 iterations. - iteration 364: trace = 2.578883643621738 (1.65629e-06% change) - linmin: converged after 4 iterations. - iteration 365: trace = 2.578883577061982 (2.58095e-06% change) - linmin: converged after 8 iterations. - iteration 366: trace = 2.578883554707284 (8.66836e-07% change) - large trace change predicted (2.20978e-06%) + iteration 366: trace = 2.578883445300995 (1.24361e-06% change) linmin: converged after 2 iterations. - iteration 367: trace = 2.57888349771743 (2.20987e-06% change) + iteration 367: trace = 2.578883394630915 (1.96481e-06% change) linmin: converged after 4 iterations. - iteration 368: trace = 2.578883427926582 (2.70624e-06% change) - linmin: converged after 5 iterations. - iteration 369: trace = 2.578883406635272 (8.25602e-07% change) - large trace change predicted (1.99771e-06%) + iteration 368: trace = 2.578883325162535 (2.69374e-06% change) + linmin: converged after 20 iterations. + iteration 369: trace = 2.578883307939212 (6.6786e-07% change) + large trace change predicted (2.21501e-06%) linmin: converged after 2 iterations. - iteration 370: trace = 2.578883355116631 (1.99771e-06% change) - linmin: converged after 6 iterations. - iteration 371: trace = 2.578883286972285 (2.6424e-06% change) - linmin: converged after 16 iterations. - iteration 372: trace = 2.578883267400527 (7.58924e-07% change) - large trace change predicted (2.58803e-06%) + iteration 370: trace = 2.578883250814076 (2.21511e-06% change) linmin: converged after 2 iterations. - iteration 373: trace = 2.57888320065819 (2.58803e-06% change) - linmin: converged after 10 iterations. - iteration 374: trace = 2.578883160950679 (1.53972e-06% change) - linmin: converged after 13 iterations. - iteration 375: trace = 2.578883142543416 (7.13769e-07% change) - large trace change predicted (2.24375e-06%) - linmin: converged after 3 iterations. - iteration 376: trace = 2.57888308468267 (2.24364e-06% change) - linmin: converged after 10 iterations. - iteration 377: trace = 2.578883025109856 (2.31002e-06% change) - linmin: converged after 12 iterations. - iteration 378: trace = 2.578883013424509 (4.53117e-07% change) - large trace change predicted (2.17064e-06%) - linmin: converged after 4 iterations. - iteration 379: trace = 2.578882957449465 (2.17052e-06% change) - linmin: converged after 4 iterations. - iteration 380: trace = 2.578882925837505 (1.2258e-06% change) - linmin: converged after 9 iterations. - iteration 381: trace = 2.578882910105894 (6.10016e-07% change) - large trace change predicted (1.62587e-06%) - linmin: converged after 22 iterations. - iteration 382: trace = 2.57888286817952 (1.62576e-06% change) - linmin: converged after 18 iterations. - iteration 383: trace = 2.578882858838719 (3.62203e-07% change) - large trace change predicted (1.10116e-06%) - linmin: converged after 14 iterations. - iteration 384: trace = 2.578882830442491 (1.10111e-06% change) - linmin: converged after 35 iterations. - iteration 385: trace = 2.578882802410506 (1.08698e-06% change) + iteration 371: trace = 2.578883188056963 (2.4335e-06% change) + linmin: converged after 2 iterations. + iteration 372: trace = 2.57888317076594 (6.70485e-07% change) + large trace change predicted (2.68628e-06%) linmin: converged after 4 iterations. - iteration 386: trace = 2.578882784966687 (6.7641e-07% change) - linmin: converged after 5 iterations. - iteration 387: trace = 2.578882767429097 (6.80046e-07% change) - linmin: converged after 14 iterations. - iteration 388: trace = 2.578882733287546 (1.32389e-06% change) + iteration 373: trace = 2.578883101489897 (2.68628e-06% change) + linmin: converged after 3 iterations. + iteration 374: trace = 2.578883076898784 (9.53557e-07% change) + linmin: converged after 6 iterations. + iteration 375: trace = 2.578883041205024 (1.38408e-06% change) + linmin: converged after 28 iterations. + iteration 376: trace = 2.578882998130043 (1.6703e-06% change) linmin: converged after 4 iterations. - iteration 389: trace = 2.57888272132615 (4.63821e-07% change) - large trace change predicted (1.42871e-06%) + iteration 377: trace = 2.578882951997609 (1.78885e-06% change) linmin: converged after 3 iterations. - iteration 390: trace = 2.578882684481917 (1.42869e-06% change) + iteration 378: trace = 2.578882931420186 (7.9792e-07% change) + large trace change predicted (2.03906e-06%) + linmin: converged after 32 iterations. + iteration 379: trace = 2.578882878839107 (2.03891e-06% change) + linmin: converged after 4 iterations. + iteration 380: trace = 2.578882854373937 (9.48673e-07% change) + linmin: converged after 11 iterations. + iteration 381: trace = 2.578882830862646 (9.11685e-07% change) linmin: converged after 3 iterations. - iteration 391: trace = 2.578882658808092 (9.95541e-07% change) + iteration 382: trace = 2.578882794953936 (1.39241e-06% change) linmin: converged after 3 iterations. - iteration 392: trace = 2.578882642954935 (6.1473e-07% change) + iteration 383: trace = 2.578882785083972 (3.82722e-07% change) + large trace change predicted (9.76581e-07%) linmin: converged after 3 iterations. - iteration 393: trace = 2.578882616553765 (1.02374e-06% change) + iteration 384: trace = 2.578882759899875 (9.76551e-07% change) + linmin: converged after 4 iterations. + iteration 385: trace = 2.578882731930067 (1.08457e-06% change) + linmin: converged after 4 iterations. + iteration 386: trace = 2.578882723520831 (3.26081e-07% change) + large trace change predicted (9.68831e-07%) + linmin: converged after 4 iterations. + iteration 387: trace = 2.578882698536287 (9.68813e-07% change) + linmin: converged after 25 iterations. + iteration 388: trace = 2.578882680125079 (7.13922e-07% change) + linmin: converged after 28 iterations. + iteration 389: trace = 2.578882664119547 (6.20638e-07% change) + large trace change predicted (1.55571e-06%) + linmin: converged after 10 iterations. + iteration 390: trace = 2.578882624000947 (1.55566e-06% change) linmin: converged after 8 iterations. - iteration 394: trace = 2.578882587926257 (1.11007e-06% change) - linmin: converged after 5 iterations. - iteration 395: trace = 2.578882573063998 (5.76306e-07% change) - large trace change predicted (1.47032e-06%) + iteration 391: trace = 2.578882614535714 (3.67028e-07% change) + large trace change predicted (1.22109e-06%) linmin: converged after 2 iterations. - iteration 396: trace = 2.578882535145632 (1.47034e-06% change) - linmin: converged after 5 iterations. - iteration 397: trace = 2.578882526245823 (3.45103e-07% change) - large trace change predicted (1.08143e-06%) - linmin: converged after 3 iterations. - iteration 398: trace = 2.57888249835706 (1.08143e-06% change) + iteration 392: trace = 2.578882583045162 (1.22109e-06% change) linmin: converged after 2 iterations. - iteration 399: trace = 2.578882465578491 (1.27104e-06% change) - linmin: converged after 19 iterations. - iteration 400: trace = 2.578882448731245 (6.53277e-07% change) + iteration 393: trace = 2.578882555269006 (1.07706e-06% change) + linmin: converged after 5 iterations. + iteration 394: trace = 2.578882524317008 (1.20021e-06% change) + linmin: converged after 29 iterations. + iteration 395: trace = 2.578882516404913 (3.06803e-07% change) + large trace change predicted (1.43347e-06%) linmin: converged after 2 iterations. - iteration 401: trace = 2.578882415744254 (1.27912e-06% change) - linmin: converged after 4 iterations. - iteration 402: trace = 2.578882383822383 (1.23782e-06% change) - linmin: converged after 13 iterations. - iteration 403: trace = 2.57888237186781 (4.63556e-07% change) - large trace change predicted (1.08975e-06%) - linmin: converged after 11 iterations. - iteration 404: trace = 2.578882343763326 (1.08979e-06% change) + iteration 396: trace = 2.578882479436521 (1.4335e-06% change) linmin: converged after 5 iterations. - iteration 405: trace = 2.578882322723003 (8.1587e-07% change) - linmin: converged after 22 iterations. - iteration 406: trace = 2.578882314178037 (3.31344e-07% change) - large trace change predicted (9.95795e-07%) - linmin: converged after 8 iterations. - iteration 407: trace = 2.578882288497162 (9.95814e-07% change) - linmin: converged after 4 iterations. - iteration 408: trace = 2.578882274931218 (5.2604e-07% change) - linmin: converged after 7 iterations. - iteration 409: trace = 2.578882262988782 (4.63086e-07% change) - linmin: converged after 3 iterations. - iteration 410: trace = 2.578882241085648 (8.49327e-07% change) + iteration 397: trace = 2.578882466608028 (4.97444e-07% change) + linmin: converged after 32 iterations. + iteration 398: trace = 2.578882445987127 (7.99606e-07% change) linmin: converged after 5 iterations. - iteration 411: trace = 2.578882235455017 (2.18336e-07% change) - large trace change predicted (7.39992e-07%) - linmin: converged after 3 iterations. - iteration 412: trace = 2.578882216371586 (7.39988e-07% change) - linmin: converged after 3 iterations. - iteration 413: trace = 2.578882192306764 (9.33149e-07% change) + iteration 399: trace = 2.578882415264297 (1.19132e-06% change) linmin: converged after 5 iterations. - iteration 414: trace = 2.578882185166103 (2.7689e-07% change) - large trace change predicted (6.0813e-07%) + iteration 400: trace = 2.578882397449452 (6.90797e-07% change) + linmin: converged after 2 iterations. + iteration 401: trace = 2.578882364391136 (1.28189e-06% change) + linmin: converged after 2 iterations. + iteration 402: trace = 2.578882332711502 (1.22842e-06% change) + linmin: converged after 17 iterations. + iteration 403: trace = 2.578882324119395 (3.33172e-07% change) + large trace change predicted (1.13088e-06%) linmin: converged after 20 iterations. - iteration 415: trace = 2.578882169483405 (6.0812e-07% change) + iteration 404: trace = 2.578882294954134 (1.13093e-06% change) linmin: converged after 3 iterations. - iteration 416: trace = 2.578882156093668 (5.19207e-07% change) + iteration 405: trace = 2.578882277128341 (6.91222e-07% change) + linmin: converged after 4 iterations. + iteration 406: trace = 2.578882268826074 (3.21933e-07% change) + large trace change predicted (8.64217e-07%) + linmin: converged after 22 iterations. + iteration 407: trace = 2.578882246538319 (8.64241e-07% change) + linmin: converged after 19 iterations. + iteration 408: trace = 2.57888222900376 (6.79929e-07% change) linmin: converged after 4 iterations. - iteration 417: trace = 2.578882148049813 (3.11912e-07% change) + iteration 409: trace = 2.578882221183453 (3.03244e-07% change) + large trace change predicted (9.03948e-07%) linmin: converged after 4 iterations. - iteration 418: trace = 2.578882138332705 (3.76795e-07% change) - large trace change predicted (4.10231e-06%) + iteration 410: trace = 2.57888219787185 (9.03942e-07% change) linmin: converged after 3 iterations. - iteration 419: trace = 2.57888203255024 (4.10187e-06% change) - resetting CG direction... - linmin: converged after 6 iterations. - iteration 420: trace = 2.578882001414857 (1.20732e-06% change) + iteration 411: trace = 2.578882183903714 (5.41635e-07% change) + linmin: converged after 3 iterations. + iteration 412: trace = 2.578882175735827 (3.16722e-07% change) + large trace change predicted (8.34035e-07%) + linmin: converged after 4 iterations. + iteration 413: trace = 2.578882154227248 (8.34027e-07% change) linmin: converged after 3 iterations. - iteration 421: trace = 2.57888198168971 (7.64872e-07% change) + iteration 414: trace = 2.578882149705631 (1.75332e-07% change) + large trace change predicted (5.88469e-07%) linmin: converged after 3 iterations. - iteration 422: trace = 2.578881974277851 (2.87406e-07% change) + iteration 415: trace = 2.578882134529732 (5.88468e-07% change) linmin: converged after 2 iterations. - iteration 423: trace = 2.578881962864237 (4.4258e-07% change) + iteration 416: trace = 2.57888212322604 (4.38318e-07% change) linmin: converged after 3 iterations. - iteration 424: trace = 2.578881955412863 (2.88938e-07% change) - linmin: converged after 11 iterations. - iteration 425: trace = 2.578881952599149 (1.09106e-07% change) - large trace change predicted (4.08628e-07%) + iteration 417: trace = 2.578882118754158 (1.73404e-07% change) + large trace change predicted (4.25454e-07%) linmin: converged after 4 iterations. - iteration 426: trace = 2.578881942061155 (4.08626e-07% change) + iteration 418: trace = 2.578882107782092 (4.25458e-07% change) + large trace change predicted (1.78462e-06%) + linmin: converged after 7 iterations. + iteration 419: trace = 2.578882061762755 (1.78447e-06% change) + resetting CG direction... + linmin: converged after 2 iterations. + iteration 420: trace = 2.578882036564625 (9.77095e-07% change) + linmin: converged after 2 iterations. + iteration 421: trace = 2.57888202317341 (5.19264e-07% change) + linmin: converged after 7 iterations. + iteration 422: trace = 2.578882019895361 (1.27111e-07% change) + large trace change predicted (3.21977e-07%) + linmin: converged after 2 iterations. + iteration 423: trace = 2.578882011591951 (3.21977e-07% change) + linmin: converged after 10 iterations. + iteration 424: trace = 2.578882003458455 (3.15388e-07% change) linmin: converged after 7 iterations. - iteration 427: trace = 2.578881935946643 (2.37099e-07% change) + iteration 425: trace = 2.578882001439576 (7.82851e-08% change) + large trace change predicted (4.81729e-07%) + linmin: converged after 4 iterations. + iteration 426: trace = 2.578881989016674 (4.81717e-07% change) + linmin: converged after 8 iterations. + iteration 427: trace = 2.57888198237913 (2.57381e-07% change) + linmin: converged after 4 iterations. + iteration 428: trace = 2.578881978430177 (1.53127e-07% change) + large trace change predicted (3.86131e-07%) + linmin: converged after 25 iterations. + iteration 429: trace = 2.578881968472497 (3.86124e-07% change) linmin: converged after 3 iterations. - iteration 428: trace = 2.578881933220652 (1.05704e-07% change) - large trace change predicted (2.853e-07%) + iteration 430: trace = 2.578881963097527 (2.08422e-07% change) linmin: converged after 4 iterations. - iteration 429: trace = 2.578881925863133 (2.85299e-07% change) - linmin: converged after 5 iterations. - iteration 430: trace = 2.578881918861035 (2.71517e-07% change) + iteration 431: trace = 2.578881956512741 (2.55335e-07% change) + linmin: converged after 7 iterations. + iteration 432: trace = 2.578881944256166 (4.75267e-07% change) + linmin: converged after 12 iterations. + iteration 433: trace = 2.578881940776311 (1.34937e-07% change) + large trace change predicted (3.97336e-07%) + linmin: converged after 9 iterations. + iteration 434: trace = 2.578881930529654 (3.97329e-07% change) linmin: converged after 4 iterations. - iteration 431: trace = 2.578881915686762 (1.23087e-07% change) - large trace change predicted (4.42272e-07%) + iteration 435: trace = 2.578881923771914 (2.62041e-07% change) linmin: converged after 4 iterations. - iteration 432: trace = 2.578881904281187 (4.42268e-07% change) - linmin: converged after 11 iterations. - iteration 433: trace = 2.57888189922615 (1.96017e-07% change) - linmin: converged after 6 iterations. - iteration 434: trace = 2.578881893089352 (2.37963e-07% change) + iteration 436: trace = 2.578881920891395 (1.11696e-07% change) + large trace change predicted (3.81438e-07%) + linmin: converged after 3 iterations. + iteration 437: trace = 2.578881911054724 (3.81432e-07% change) linmin: converged after 5 iterations. - iteration 435: trace = 2.578881886221618 (2.66307e-07% change) + iteration 438: trace = 2.578881899486469 (4.48576e-07% change) linmin: converged after 6 iterations. - iteration 436: trace = 2.578881882795108 (1.32868e-07% change) - large trace change predicted (2.82053e-07%) - linmin: converged after 12 iterations. - iteration 437: trace = 2.578881875521383 (2.8205e-07% change) - linmin: converged after 3 iterations. - iteration 438: trace = 2.578881866718654 (3.41339e-07% change) - linmin: converged after 3 iterations. - iteration 439: trace = 2.578881863079233 (1.41124e-07% change) - large trace change predicted (3.17561e-07%) - linmin: converged after 3 iterations. - iteration 440: trace = 2.578881854889808 (3.17557e-07% change) - linmin: converged after 3 iterations. - iteration 441: trace = 2.578881849411369 (2.12435e-07% change) - linmin: converged after 3 iterations. - iteration 442: trace = 2.578881843615585 (2.2474e-07% change) - linmin: converged after 8 iterations. - iteration 443: trace = 2.578881834950654 (3.35996e-07% change) - linmin: converged after 3 iterations. - iteration 444: trace = 2.578881830311306 (1.79898e-07% change) + iteration 439: trace = 2.578881894111951 (2.08405e-07% change) + linmin: converged after 4 iterations. + iteration 440: trace = 2.578881883970785 (3.93239e-07% change) + linmin: converged after 4 iterations. + iteration 441: trace = 2.578881877609729 (2.46659e-07% change) linmin: converged after 3 iterations. - iteration 445: trace = 2.578881828375051 (7.50812e-08% change) - large trace change predicted (1.93627e-07%) + iteration 442: trace = 2.578881873880128 (1.44621e-07% change) + large trace change predicted (3.21328e-07%) linmin: converged after 3 iterations. - iteration 446: trace = 2.578881823381663 (1.93626e-07% change) - linmin: converged after 7 iterations. - iteration 447: trace = 2.578881818911962 (1.73319e-07% change) - linmin: converged after 16 iterations. - iteration 448: trace = 2.578881816939237 (7.64954e-08% change) - large trace change predicted (1.68541e-07%) - linmin: converged after 2 iterations. - iteration 449: trace = 2.578881812592749 (1.68542e-07% change) - linmin: converged after 13 iterations. - iteration 450: trace = 2.57888180998494 (1.01122e-07% change) + iteration 443: trace = 2.578881865593577 (3.21323e-07% change) + linmin: converged after 4 iterations. + iteration 444: trace = 2.578881860816715 (1.8523e-07% change) + linmin: converged after 4 iterations. + iteration 445: trace = 2.578881856701912 (1.59558e-07% change) linmin: converged after 2 iterations. - iteration 451: trace = 2.578881806387408 (1.395e-07% change) + iteration 446: trace = 2.578881850528603 (2.39379e-07% change) linmin: converged after 2 iterations. - iteration 452: trace = 2.578881801702745 (1.81655e-07% change) + iteration 447: trace = 2.578881846410018 (1.59704e-07% change) + linmin: converged after 12 iterations. + iteration 448: trace = 2.578881843203922 (1.24321e-07% change) + linmin: converged after 18 iterations. + iteration 449: trace = 2.578881837844281 (2.07828e-07% change) + linmin: converged after 8 iterations. + iteration 450: trace = 2.578881831858008 (2.32127e-07% change) linmin: converged after 4 iterations. - iteration 453: trace = 2.578881800532051 (4.53954e-08% change) - large trace change predicted (1.45438e-07%) - linmin: converged after 7 iterations. - iteration 454: trace = 2.578881796781342 (1.45439e-07% change) + iteration 451: trace = 2.578881830547578 (5.08139e-08% change) + large trace change predicted (1.76632e-07%) linmin: converged after 2 iterations. - iteration 455: trace = 2.57888179405486 (1.05723e-07% change) - linmin: converged after 18 iterations. - iteration 456: trace = 2.578881790709824 (1.29709e-07% change) - linmin: converged after 6 iterations. - iteration 457: trace = 2.578881786616718 (1.58716e-07% change) - linmin: converged after 25 iterations. - iteration 458: trace = 2.578881784182502 (9.43903e-08% change) + iteration 452: trace = 2.57888182599238 (1.76635e-07% change) + linmin: converged after 10 iterations. + iteration 453: trace = 2.578881823249249 (1.06369e-07% change) + linmin: converged after 14 iterations. + iteration 454: trace = 2.578881821512637 (6.73398e-08% change) + large trace change predicted (1.9164e-07%) linmin: converged after 13 iterations. - iteration 459: trace = 2.578881782697347 (5.75891e-08% change) - large trace change predicted (1.85288e-07%) - linmin: converged after 20 iterations. - iteration 460: trace = 2.578881777918918 (1.85291e-07% change) - linmin: converged after 2 iterations. - iteration 461: trace = 2.578881776055878 (7.22422e-08% change) + iteration 455: trace = 2.578881816570344 (1.91645e-07% change) + linmin: converged after 5 iterations. + iteration 456: trace = 2.578881814207586 (9.16195e-08% change) + linmin: converged after 4 iterations. + iteration 457: trace = 2.578881810530339 (1.42591e-07% change) linmin: converged after 3 iterations. - iteration 462: trace = 2.578881772340515 (1.44069e-07% change) + iteration 458: trace = 2.578881806760749 (1.46171e-07% change) + linmin: converged after 31 iterations. + iteration 459: trace = 2.578881804369865 (9.27101e-08% change) + linmin: converged after 9 iterations. + iteration 460: trace = 2.57888179970857 (1.80749e-07% change) + linmin: converged after 22 iterations. + iteration 461: trace = 2.578881794388249 (2.06303e-07% change) + linmin: converged after 16 iterations. + iteration 462: trace = 2.578881792568901 (7.05479e-08% change) + large trace change predicted (2.00733e-07%) + linmin: converged after 6 iterations. + iteration 463: trace = 2.578881787392146 (2.00736e-07% change) linmin: converged after 10 iterations. - iteration 463: trace = 2.578881768909506 (1.33042e-07% change) - linmin: converged after 3 iterations. - iteration 464: trace = 2.578881766121611 (1.08105e-07% change) - linmin: converged after 17 iterations. - iteration 465: trace = 2.578881764451818 (6.47487e-08% change) - large trace change predicted (1.6705e-07%) + iteration 464: trace = 2.578881783807989 (1.38981e-07% change) + linmin: converged after 6 iterations. + iteration 465: trace = 2.578881782615227 (4.62511e-08% change) + large trace change predicted (2.05912e-07%) linmin: converged after 4 iterations. - iteration 466: trace = 2.578881760143803 (1.6705e-07% change) - linmin: converged after 7 iterations. - iteration 467: trace = 2.578881759396851 (2.89642e-08% change) - large trace change predicted (1.39554e-07%) - linmin: converged after 7 iterations. - iteration 468: trace = 2.57888175579796 (1.39552e-07% change) + iteration 466: trace = 2.578881777305063 (2.0591e-07% change) linmin: converged after 3 iterations. - iteration 469: trace = 2.578881753502724 (8.90012e-08% change) - linmin: converged after 6 iterations. - iteration 470: trace = 2.578881751530404 (7.64797e-08% change) - large trace change predicted (1.64211e-07%) - linmin: converged after 12 iterations. - iteration 471: trace = 2.578881747295646 (1.64209e-07% change) + iteration 467: trace = 2.578881774890649 (9.36225e-08% change) linmin: converged after 3 iterations. - iteration 472: trace = 2.578881744437918 (1.10813e-07% change) - linmin: converged after 14 iterations. - iteration 473: trace = 2.578881743681069 (2.93479e-08% change) - large trace change predicted (9.12322e-08%) + iteration 468: trace = 2.578881771755501 (1.2157e-07% change) linmin: converged after 4 iterations. - iteration 474: trace = 2.578881741328326 (9.12311e-08% change) - linmin: converged after 7 iterations. - iteration 475: trace = 2.578881738765879 (9.93627e-08% change) - linmin: converged after 4 iterations. - iteration 476: trace = 2.578881737927481 (3.25101e-08% change) - large trace change predicted (1.02946e-07%) - linmin: converged after 4 iterations. - iteration 477: trace = 2.578881735272673 (1.02944e-07% change) - linmin: converged after 7 iterations. - iteration 478: trace = 2.578881733494461 (6.89528e-08% change) + iteration 469: trace = 2.578881767585862 (1.61684e-07% change) linmin: converged after 4 iterations. - iteration 479: trace = 2.578881732930764 (2.18582e-08% change) - large trace change predicted (8.73871e-08%) - linmin: converged after 7 iterations. - iteration 480: trace = 2.578881730677189 (8.73858e-08% change) + iteration 470: trace = 2.578881766028387 (6.03934e-08% change) + large trace change predicted (1.6118e-07%) linmin: converged after 10 iterations. - iteration 481: trace = 2.578881729820675 (3.32126e-08% change) - linmin: converged after 9 iterations. - iteration 482: trace = 2.578881728681377 (4.4178e-08% change) - large trace change predicted (9.04282e-08%) + iteration 471: trace = 2.578881761871805 (1.61178e-07% change) + linmin: converged after 20 iterations. + iteration 472: trace = 2.578881758406945 (1.34355e-07% change) + linmin: converged after 3 iterations. + iteration 473: trace = 2.578881757251634 (4.47989e-08% change) + large trace change predicted (1.09057e-07%) + linmin: converged after 20 iterations. + iteration 474: trace = 2.578881754439236 (1.09055e-07% change) linmin: converged after 3 iterations. - iteration 483: trace = 2.578881726349349 (9.04279e-08% change) + iteration 475: trace = 2.578881751914527 (9.78994e-08% change) + linmin: converged after 5 iterations. + iteration 476: trace = 2.578881751113557 (3.10588e-08% change) + large trace change predicted (8.46195e-08%) + linmin: converged after 11 iterations. + iteration 477: trace = 2.57888174893136 (8.46179e-08% change) + linmin: converged after 6 iterations. + iteration 478: trace = 2.578881746694031 (8.67558e-08% change) linmin: converged after 4 iterations. - iteration 484: trace = 2.578881725726397 (2.41559e-08% change) - large trace change predicted (7.02151e-08%) + iteration 479: trace = 2.578881746109754 (2.26562e-08% change) + large trace change predicted (8.87817e-08%) linmin: converged after 4 iterations. - iteration 485: trace = 2.578881723915634 (7.02151e-08% change) + iteration 480: trace = 2.578881743820217 (8.87802e-08% change) + linmin: converged after 2 iterations. + iteration 481: trace = 2.578881742274703 (5.99296e-08% change) + linmin: converged after 12 iterations. + iteration 482: trace = 2.578881741639091 (2.46468e-08% change) + large trace change predicted (9.18907e-08%) linmin: converged after 4 iterations. - iteration 486: trace = 2.578881722615295 (5.04226e-08% change) + iteration 483: trace = 2.578881739269345 (9.18904e-08% change) linmin: converged after 4 iterations. - iteration 487: trace = 2.578881722206721 (1.58431e-08% change) - large trace change predicted (3.6933e-08%) - linmin: converged after 2 iterations. - iteration 488: trace = 2.57888172125426 (3.69331e-08% change) - linmin: converged after 13 iterations. - iteration 489: trace = 2.578881719585277 (6.47173e-08% change) - resetting CG direction... + iteration 484: trace = 2.578881737397792 (7.25723e-08% change) linmin: converged after 3 iterations. - iteration 490: trace = 2.57888171888873 (2.70097e-08% change) - linmin: converged after 2 iterations. - iteration 491: trace = 2.578881718084623 (3.11805e-08% change) + iteration 485: trace = 2.578881735913432 (5.75583e-08% change) linmin: converged after 4 iterations. - iteration 492: trace = 2.578881717604491 (1.86178e-08% change) - linmin: converged after 5 iterations. - iteration 493: trace = 2.578881717004805 (2.32537e-08% change) - linmin: converged after 3 iterations. - iteration 494: trace = 2.578881715921646 (4.20011e-08% change) + iteration 486: trace = 2.578881733598441 (8.97673e-08% change) + linmin: converged after 6 iterations. + iteration 487: trace = 2.578881732505164 (4.23934e-08% change) linmin: converged after 4 iterations. - iteration 495: trace = 2.57888171558842 (1.29214e-08% change) - large trace change predicted (5.08189e-08%) + iteration 488: trace = 2.578881731828773 (2.62281e-08% change) + large trace change predicted (1.53812e-07%) + linmin: converged after 22 iterations. + iteration 489: trace = 2.578881727862087 (1.53814e-07% change) + resetting CG direction... linmin: converged after 4 iterations. - iteration 496: trace = 2.578881714277853 (5.08192e-08% change) - linmin: converged after 23 iterations. - iteration 497: trace = 2.578881713204562 (4.16185e-08% change) + iteration 490: trace = 2.578881726702685 (4.49576e-08% change) + linmin: converged after 18 iterations. + iteration 491: trace = 2.578881724925699 (6.89053e-08% change) linmin: converged after 5 iterations. - iteration 498: trace = 2.578881712762302 (1.71493e-08% change) - large trace change predicted (4.78776e-08%) - linmin: converged after 8 iterations. - iteration 499: trace = 2.578881711527581 (4.78782e-08% change) + iteration 492: trace = 2.578881723795635 (4.38199e-08% change) + linmin: converged after 24 iterations. + iteration 493: trace = 2.578881723303496 (1.90834e-08% change) + large trace change predicted (6.12208e-08%) + linmin: converged after 4 iterations. + iteration 494: trace = 2.578881721724666 (6.12215e-08% change) linmin: converged after 2 iterations. - iteration 500: trace = 2.578881710974068 (2.14633e-08% change) + iteration 495: trace = 2.578881720811561 (3.5407e-08% change) linmin: converged after 4 iterations. - iteration 501: trace = 2.578881710025923 (3.67657e-08% change) - linmin: converged after 24 iterations. - iteration 502: trace = 2.57888170888197 (4.43585e-08% change) + iteration 496: trace = 2.578881719704391 (4.29322e-08% change) + linmin: converged after 4 iterations. + iteration 497: trace = 2.578881718172997 (5.93821e-08% change) + linmin: converged after 4 iterations. + iteration 498: trace = 2.578881717556458 (2.39072e-08% change) + linmin: converged after 8 iterations. + iteration 499: trace = 2.578881716831333 (2.81178e-08% change) + linmin: converged after 17 iterations. + iteration 500: trace = 2.578881715773232 (4.10294e-08% change) linmin: converged after 3 iterations. - iteration 503: trace = 2.578881708510016 (1.44231e-08% change) - large trace change predicted (5.61478e-08%) + iteration 501: trace = 2.578881715431558 (1.32489e-08% change) + large trace change predicted (5.32862e-08%) + linmin: converged after 15 iterations. + iteration 502: trace = 2.578881714057353 (5.32868e-08% change) + linmin: converged after 12 iterations. + iteration 503: trace = 2.578881712800967 (4.87183e-08% change) + linmin: converged after 6 iterations. + iteration 504: trace = 2.578881712349253 (1.75159e-08% change) + large trace change predicted (4.12877e-08%) + linmin: converged after 6 iterations. + iteration 505: trace = 2.578881711284485 (4.1288e-08% change) linmin: converged after 13 iterations. - iteration 504: trace = 2.578881707062016 (5.61483e-08% change) - linmin: converged after 4 iterations. - iteration 505: trace = 2.578881706093314 (3.75629e-08% change) + iteration 506: trace = 2.578881709732453 (6.01824e-08% change) + linmin: converged after 7 iterations. + iteration 507: trace = 2.578881709397289 (1.29965e-08% change) + large trace change predicted (6.9475e-08%) linmin: converged after 4 iterations. - iteration 506: trace = 2.578881705717529 (1.45717e-08% change) - large trace change predicted (5.93041e-08%) + iteration 508: trace = 2.578881707605591 (6.94758e-08% change) linmin: converged after 7 iterations. - iteration 507: trace = 2.578881704188132 (5.93047e-08% change) + iteration 509: trace = 2.578881706082345 (5.90662e-08% change) + linmin: converged after 16 iterations. + iteration 510: trace = 2.578881705542488 (2.09338e-08% change) + large trace change predicted (5.90933e-08%) + linmin: converged after 3 iterations. + iteration 511: trace = 2.578881704018536 (5.90935e-08% change) + linmin: converged after 3 iterations. + iteration 512: trace = 2.578881702961656 (4.09821e-08% change) linmin: converged after 4 iterations. - iteration 508: trace = 2.578881702874284 (5.09464e-08% change) - linmin: converged after 9 iterations. - iteration 509: trace = 2.578881702043305 (3.22224e-08% change) - linmin: converged after 33 iterations. - iteration 510: trace = 2.578881700506313 (5.95992e-08% change) - linmin: converged after 8 iterations. - iteration 511: trace = 2.578881698856581 (6.39708e-08% change) - linmin: converged after 25 iterations. - iteration 512: trace = 2.578881698305443 (2.13712e-08% change) + iteration 513: trace = 2.578881701935387 (3.97951e-08% change) linmin: converged after 4 iterations. - iteration 513: trace = 2.578881697318028 (3.82885e-08% change) - linmin: converged after 6 iterations. - iteration 514: trace = 2.578881696453907 (3.35076e-08% change) - linmin: converged after 24 iterations. - iteration 515: trace = 2.578881696040486 (1.6031e-08% change) - large trace change predicted (3.3052e-08%) - linmin: converged after 19 iterations. - iteration 516: trace = 2.578881695188117 (3.30519e-08% change) + iteration 514: trace = 2.578881700604339 (5.16134e-08% change) linmin: converged after 4 iterations. - iteration 517: trace = 2.578881694077508 (4.30655e-08% change) + iteration 515: trace = 2.578881700062101 (2.10261e-08% change) + linmin: converged after 22 iterations. + iteration 516: trace = 2.578881699361229 (2.71774e-08% change) + large trace change predicted (5.94806e-08%) linmin: converged after 6 iterations. - iteration 518: trace = 2.578881693851104 (8.77916e-09% change) - large trace change predicted (3.4599e-08%) - linmin: converged after 5 iterations. - iteration 519: trace = 2.578881692958843 (3.45988e-08% change) + iteration 517: trace = 2.578881697827312 (5.94799e-08% change) linmin: converged after 4 iterations. - iteration 520: trace = 2.578881691965827 (3.85057e-08% change) - linmin: converged after 18 iterations. - iteration 521: trace = 2.578881691714425 (9.74847e-09% change) - large trace change predicted (2.56216e-08%) - linmin: converged after 6 iterations. - iteration 522: trace = 2.578881691053676 (2.56216e-08% change) - linmin: converged after 8 iterations. - iteration 523: trace = 2.57888169029596 (2.93816e-08% change) - linmin: converged after 3 iterations. - iteration 524: trace = 2.578881690098096 (7.67245e-09% change) - large trace change predicted (3.62996e-08%) + iteration 518: trace = 2.57888169752507 (1.17199e-08% change) + large trace change predicted (3.82921e-08%) linmin: converged after 4 iterations. - iteration 525: trace = 2.578881689161979 (3.62994e-08% change) - linmin: converged after 3 iterations. - iteration 526: trace = 2.578881688581245 (2.25188e-08% change) - linmin: converged after 30 iterations. - iteration 527: trace = 2.578881688348686 (9.0178e-09% change) - large trace change predicted (2.9535e-08%) - linmin: converged after 3 iterations. - iteration 528: trace = 2.578881687587014 (2.9535e-08% change) + iteration 519: trace = 2.578881696537575 (3.82916e-08% change) + linmin: converged after 11 iterations. + iteration 520: trace = 2.578881695193785 (5.21075e-08% change) linmin: converged after 5 iterations. - iteration 529: trace = 2.578881686716563 (3.37531e-08% change) - linmin: converged after 2 iterations. - iteration 530: trace = 2.578881686421467 (1.14428e-08% change) - large trace change predicted (3.29164e-08%) - linmin: converged after 2 iterations. - iteration 531: trace = 2.578881685572594 (3.29163e-08% change) + iteration 521: trace = 2.578881694353386 (3.25877e-08% change) + linmin: converged after 23 iterations. + iteration 522: trace = 2.578881693991016 (1.40514e-08% change) + large trace change predicted (3.45699e-08%) + linmin: converged after 6 iterations. + iteration 523: trace = 2.578881693099505 (3.45697e-08% change) linmin: converged after 4 iterations. - iteration 532: trace = 2.578881685309287 (1.02101e-08% change) + iteration 524: trace = 2.578881692344089 (2.92924e-08% change) linmin: converged after 3 iterations. - iteration 533: trace = 2.578881684861761 (1.73535e-08% change) - linmin: converged after 4 iterations. - iteration 534: trace = 2.578881683985564 (3.39758e-08% change) + iteration 525: trace = 2.578881692083304 (1.01124e-08% change) + large trace change predicted (2.99328e-08%) linmin: converged after 4 iterations. - iteration 535: trace = 2.578881683754606 (8.95576e-09% change) - large trace change predicted (2.36327e-08%) - linmin: converged after 4 iterations. - iteration 536: trace = 2.57888168314514 (2.36329e-08% change) - linmin: converged after 10 iterations. - iteration 537: trace = 2.578881682571086 (2.22598e-08% change) + iteration 526: trace = 2.578881691311372 (2.99328e-08% change) linmin: converged after 13 iterations. - iteration 538: trace = 2.578881682368509 (7.85523e-09% change) - large trace change predicted (2.28578e-08%) - linmin: converged after 27 iterations. - iteration 539: trace = 2.578881681779028 (2.2858e-08% change) + iteration 527: trace = 2.578881690935004 (1.45942e-08% change) linmin: converged after 4 iterations. - iteration 540: trace = 2.578881680797204 (3.80717e-08% change) + iteration 528: trace = 2.578881690535144 (1.55052e-08% change) + large trace change predicted (3.86671e-08%) linmin: converged after 4 iterations. - iteration 541: trace = 2.578881680612665 (7.15578e-09% change) - large trace change predicted (2.58063e-08%) + iteration 529: trace = 2.578881689537971 (3.86669e-08% change) linmin: converged after 4 iterations. - iteration 542: trace = 2.578881679947155 (2.58062e-08% change) + iteration 530: trace = 2.57888168932228 (8.36374e-09% change) + large trace change predicted (4.0826e-08%) + linmin: converged after 9 iterations. + iteration 531: trace = 2.578881688269424 (4.08261e-08% change) linmin: converged after 4 iterations. - iteration 543: trace = 2.578881679399616 (2.12316e-08% change) - linmin: converged after 16 iterations. - iteration 544: trace = 2.578881679234923 (6.38621e-09% change) - large trace change predicted (1.8202e-08%) + iteration 532: trace = 2.578881687894715 (1.45299e-08% change) + linmin: converged after 25 iterations. + iteration 533: trace = 2.578881687519027 (1.45678e-08% change) + large trace change predicted (3.59698e-08%) linmin: converged after 4 iterations. - iteration 545: trace = 2.578881678765514 (1.8202e-08% change) - linmin: converged after 8 iterations. - iteration 546: trace = 2.578881678225997 (2.09206e-08% change) + iteration 534: trace = 2.578881686591407 (3.59699e-08% change) + linmin: converged after 7 iterations. + iteration 535: trace = 2.57888168588484 (2.73982e-08% change) linmin: converged after 4 iterations. - iteration 547: trace = 2.578881677957258 (1.04207e-08% change) + iteration 536: trace = 2.578881685664381 (8.54864e-09% change) + large trace change predicted (2.68492e-08%) + linmin: converged after 2 iterations. + iteration 537: trace = 2.578881684971964 (2.68495e-08% change) + linmin: converged after 9 iterations. + iteration 538: trace = 2.578881684230839 (2.87382e-08% change) + linmin: converged after 15 iterations. + iteration 539: trace = 2.578881683878292 (1.36705e-08% change) + linmin: converged after 35 iterations. + iteration 540: trace = 2.578881683203366 (2.61713e-08% change) linmin: converged after 3 iterations. - iteration 548: trace = 2.578881677551496 (1.57341e-08% change) + iteration 541: trace = 2.578881682295737 (3.51947e-08% change) + linmin: converged after 4 iterations. + iteration 542: trace = 2.578881682101014 (7.55067e-09% change) + large trace change predicted (2.90537e-08%) + linmin: converged after 6 iterations. + iteration 543: trace = 2.578881681351744 (2.90541e-08% change) + linmin: converged after 4 iterations. + iteration 544: trace = 2.578881681054603 (1.15221e-08% change) linmin: converged after 8 iterations. - iteration 549: trace = 2.578881677156865 (1.53024e-08% change) - linmin: converged after 9 iterations. - iteration 550: trace = 2.578881677012285 (5.6063e-09% change) - large trace change predicted (1.24192e-08%) - linmin: converged after 25 iterations. - iteration 551: trace = 2.578881676692006 (1.24193e-08% change) - linmin: converged after 25 iterations. - iteration 552: trace = 2.578881676201708 (1.9012e-08% change) + iteration 545: trace = 2.578881680720564 (1.29528e-08% change) + linmin: converged after 4 iterations. + iteration 546: trace = 2.578881680132563 (2.28006e-08% change) linmin: converged after 5 iterations. - iteration 553: trace = 2.578881676070328 (5.09447e-09% change) - large trace change predicted (2.11621e-08%) - linmin: converged after 7 iterations. - iteration 554: trace = 2.578881675524583 (2.11621e-08% change) - linmin: converged after 8 iterations. - iteration 555: trace = 2.578881675290996 (9.05768e-09% change) - linmin: converged after 22 iterations. - iteration 556: trace = 2.578881675180982 (4.26597e-09% change) - large trace change predicted (1.61602e-08%) + iteration 547: trace = 2.578881679924005 (8.08717e-09% change) + large trace change predicted (1.96229e-08%) linmin: converged after 4 iterations. - iteration 557: trace = 2.578881674764232 (1.61601e-08% change) + iteration 548: trace = 2.578881679417954 (1.96229e-08% change) + linmin: converged after 6 iterations. + iteration 549: trace = 2.57888167875742 (2.56132e-08% change) + linmin: converged after 16 iterations. + iteration 550: trace = 2.578881678576112 (7.03052e-09% change) + large trace change predicted (1.4715e-08%) linmin: converged after 4 iterations. - iteration 558: trace = 2.578881674334009 (1.66825e-08% change) - large trace change predicted (3.52697e-08%) + iteration 551: trace = 2.578881678196633 (1.47148e-08% change) linmin: converged after 4 iterations. - iteration 559: trace = 2.578881673424452 (3.52694e-08% change) - resetting CG direction... - linmin: converged after 3 iterations. - iteration 560: trace = 2.578881672880023 (2.1111e-08% change) - linmin: converged after 5 iterations. - iteration 561: trace = 2.578881672680256 (7.74626e-09% change) - linmin: converged after 25 iterations. - iteration 562: trace = 2.578881672362635 (1.23162e-08% change) - linmin: converged after 19 iterations. - iteration 563: trace = 2.578881672284253 (3.03939e-09% change) + iteration 552: trace = 2.578881677663124 (2.06876e-08% change) linmin: converged after 2 iterations. - iteration 564: trace = 2.578881672129735 (5.99167e-09% change) - linmin: converged after 17 iterations. - iteration 565: trace = 2.578881671925359 (7.92497e-09% change) + iteration 553: trace = 2.578881677429599 (9.05529e-09% change) + linmin: converged after 30 iterations. + iteration 554: trace = 2.578881677016835 (1.60055e-08% change) linmin: converged after 4 iterations. - iteration 566: trace = 2.57888167184932 (2.94855e-09% change) - large trace change predicted (8.93328e-09%) - linmin: converged after 24 iterations. - iteration 567: trace = 2.578881671618939 (8.93335e-09% change) + iteration 555: trace = 2.578881676777626 (9.27571e-09% change) + linmin: converged after 13 iterations. + iteration 556: trace = 2.578881676663659 (4.41923e-09% change) + large trace change predicted (1.23813e-08%) + linmin: converged after 31 iterations. + iteration 557: trace = 2.578881676344359 (1.23813e-08% change) + linmin: converged after 6 iterations. + iteration 558: trace = 2.578881675862743 (1.86754e-08% change) + linmin: converged after 10 iterations. + iteration 559: trace = 2.57888167570607 (6.07523e-09% change) + resetting CG direction... linmin: converged after 22 iterations. - iteration 568: trace = 2.578881671439694 (6.9505e-09% change) - linmin: converged after 5 iterations. - iteration 569: trace = 2.578881671390202 (1.91914e-09% change) - large trace change predicted (8.98693e-09%) + iteration 560: trace = 2.578881675565476 (5.45173e-09% change) + large trace change predicted (1.29932e-08%) + linmin: converged after 7 iterations. + iteration 561: trace = 2.578881675230397 (1.29932e-08% change) + linmin: converged after 18 iterations. + iteration 562: trace = 2.578881675097225 (5.16395e-09% change) linmin: converged after 5 iterations. - iteration 570: trace = 2.578881671158436 (8.98706e-09% change) + iteration 563: trace = 2.57888167492185 (6.80042e-09% change) + linmin: converged after 24 iterations. + iteration 564: trace = 2.578881674707311 (8.31907e-09% change) linmin: converged after 16 iterations. - iteration 571: trace = 2.578881671023423 (5.23534e-09% change) - linmin: converged after 23 iterations. - iteration 572: trace = 2.578881670886128 (5.3238e-09% change) - linmin: converged after 10 iterations. - iteration 573: trace = 2.57888167061433 (1.05394e-08% change) + iteration 565: trace = 2.578881674615786 (3.549e-09% change) + large trace change predicted (9.75486e-09%) + linmin: converged after 4 iterations. + iteration 566: trace = 2.578881674364222 (9.75477e-09% change) linmin: converged after 4 iterations. - iteration 574: trace = 2.57888167047332 (5.4679e-09% change) + iteration 567: trace = 2.5788816740579 (1.18781e-08% change) + linmin: converged after 5 iterations. + iteration 568: trace = 2.578881673937935 (4.65182e-09% change) linmin: converged after 2 iterations. - iteration 575: trace = 2.578881670382614 (3.51723e-09% change) - large trace change predicted (9.72658e-09%) + iteration 569: trace = 2.578881673714533 (8.66274e-09% change) + linmin: converged after 6 iterations. + iteration 570: trace = 2.578881673455582 (1.00412e-08% change) + linmin: converged after 5 iterations. + iteration 571: trace = 2.578881673247656 (8.06266e-09% change) + linmin: converged after 5 iterations. + iteration 572: trace = 2.578881673068175 (6.95962e-09% change) + large trace change predicted (1.44316e-08%) + linmin: converged after 18 iterations. + iteration 573: trace = 2.578881672696001 (1.44316e-08% change) + linmin: converged after 9 iterations. + iteration 574: trace = 2.578881672623333 (2.8178e-09% change) + large trace change predicted (8.72576e-09%) + linmin: converged after 27 iterations. + iteration 575: trace = 2.578881672398309 (8.72566e-09% change) + linmin: converged after 8 iterations. + iteration 576: trace = 2.578881672164974 (9.0479e-09% change) + linmin: converged after 27 iterations. + iteration 577: trace = 2.578881672079748 (3.30475e-09% change) + large trace change predicted (1.63406e-08%) + linmin: converged after 22 iterations. + iteration 578: trace = 2.578881671658346 (1.63405e-08% change) + linmin: converged after 4 iterations. + iteration 579: trace = 2.578881671398829 (1.00631e-08% change) + linmin: converged after 5 iterations. + iteration 580: trace = 2.578881671269159 (5.02815e-09% change) + linmin: converged after 3 iterations. + iteration 581: trace = 2.578881671053626 (8.35765e-09% change) linmin: converged after 4 iterations. - iteration 576: trace = 2.578881670131778 (9.72653e-09% change) + iteration 582: trace = 2.578881670883131 (6.61119e-09% change) linmin: converged after 2 iterations. - iteration 577: trace = 2.57888167005623 (2.92949e-09% change) - large trace change predicted (8.33047e-09%) + iteration 583: trace = 2.578881670798836 (3.26867e-09% change) + large trace change predicted (7.96212e-09%) linmin: converged after 4 iterations. - iteration 578: trace = 2.578881669841399 (8.3304e-09% change) + iteration 584: trace = 2.5788816705935 (7.96218e-09% change) + linmin: converged after 3 iterations. + iteration 585: trace = 2.57888167052924 (2.49178e-09% change) + large trace change predicted (5.5049e-09%) + linmin: converged after 20 iterations. + iteration 586: trace = 2.578881670387277 (5.50482e-09% change) linmin: converged after 16 iterations. - iteration 579: trace = 2.578881669671451 (6.58999e-09% change) + iteration 587: trace = 2.578881670206739 (7.00062e-09% change) linmin: converged after 4 iterations. - iteration 580: trace = 2.578881669616973 (2.11247e-09% change) - large trace change predicted (7.63815e-09%) - linmin: converged after 5 iterations. - iteration 581: trace = 2.578881669419995 (7.63812e-09% change) - linmin: converged after 3 iterations. - iteration 582: trace = 2.578881669253416 (6.45934e-09% change) + iteration 588: trace = 2.578881670149815 (2.20732e-09% change) + large trace change predicted (4.55425e-09%) + linmin: converged after 17 iterations. + iteration 589: trace = 2.578881670032367 (4.55422e-09% change) + linmin: converged after 16 iterations. + iteration 590: trace = 2.578881669834725 (7.66386e-09% change) linmin: converged after 6 iterations. - iteration 583: trace = 2.578881669214003 (1.52829e-09% change) - large trace change predicted (3.75678e-09%) - linmin: converged after 19 iterations. - iteration 584: trace = 2.578881669117119 (3.75683e-09% change) - linmin: converged after 21 iterations. - iteration 585: trace = 2.578881668988493 (4.98767e-09% change) + iteration 591: trace = 2.578881669688896 (5.65476e-09% change) + linmin: converged after 26 iterations. + iteration 592: trace = 2.578881669653363 (1.37782e-09% change) + large trace change predicted (4.09414e-09%) + linmin: converged after 7 iterations. + iteration 593: trace = 2.578881669547779 (4.09419e-09% change) linmin: converged after 4 iterations. - iteration 586: trace = 2.578881668925138 (2.45667e-09% change) - linmin: converged after 13 iterations. - iteration 587: trace = 2.578881668828271 (3.75618e-09% change) - linmin: converged after 17 iterations. - iteration 588: trace = 2.578881668704732 (4.79039e-09% change) - linmin: converged after 14 iterations. - iteration 589: trace = 2.578881668664982 (1.54138e-09% change) - large trace change predicted (5.54873e-09%) + iteration 594: trace = 2.578881669417832 (5.03888e-09% change) linmin: converged after 5 iterations. - iteration 590: trace = 2.578881668521888 (5.54868e-09% change) - linmin: converged after 15 iterations. - iteration 591: trace = 2.578881668383914 (5.35017e-09% change) - linmin: converged after 7 iterations. - iteration 592: trace = 2.578881668294432 (3.46977e-09% change) - linmin: converged after 19 iterations. - iteration 593: trace = 2.578881668237628 (2.20267e-09% change) - large trace change predicted (5.03978e-09%) - linmin: converged after 6 iterations. - iteration 594: trace = 2.578881668107656 (5.03986e-09% change) - linmin: converged after 6 iterations. - iteration 595: trace = 2.578881668073455 (1.32618e-09% change) - large trace change predicted (3.65727e-09%) - linmin: converged after 6 iterations. - iteration 596: trace = 2.578881667979138 (3.6573e-09% change) + iteration 595: trace = 2.578881669385933 (1.23695e-09% change) + large trace change predicted (5.94668e-09%) linmin: converged after 4 iterations. - iteration 597: trace = 2.578881667875772 (4.00818e-09% change) - linmin: converged after 18 iterations. - iteration 598: trace = 2.578881667853007 (8.82743e-10% change) - large trace change predicted (4.69625e-09%) + iteration 596: trace = 2.578881669232576 (5.94666e-09% change) linmin: converged after 4 iterations. - iteration 599: trace = 2.578881667731894 (4.69632e-09% change) - linmin: converged after 12 iterations. - iteration 600: trace = 2.578881667641204 (3.51666e-09% change) + iteration 597: trace = 2.578881669100324 (5.12825e-09% change) + linmin: converged after 3 iterations. + iteration 598: trace = 2.578881669045565 (2.12336e-09% change) + large trace change predicted (4.66395e-09%) + linmin: converged after 17 iterations. + iteration 599: trace = 2.578881668925285 (4.66405e-09% change) linmin: converged after 4 iterations. - iteration 601: trace = 2.578881667613043 (1.09197e-09% change) - large trace change predicted (2.753e-09%) + iteration 600: trace = 2.578881668718865 (8.00424e-09% change) + linmin: converged after 23 iterations. + iteration 601: trace = 2.578881668688656 (1.17139e-09% change) + large trace change predicted (6.20228e-09%) linmin: converged after 4 iterations. - iteration 602: trace = 2.578881667542047 (2.75296e-09% change) - linmin: converged after 12 iterations. - iteration 603: trace = 2.578881667459425 (3.20381e-09% change) - linmin: converged after 14 iterations. - iteration 604: trace = 2.578881667444047 (5.96319e-10% change) - large trace change predicted (3.19409e-09%) - linmin: converged after 17 iterations. - iteration 605: trace = 2.578881667361677 (3.19401e-09% change) + iteration 602: trace = 2.578881668528708 (6.20224e-09% change) + linmin: converged after 2 iterations. + iteration 603: trace = 2.578881668451904 (2.97819e-09% change) + linmin: converged after 2 iterations. + iteration 604: trace = 2.578881668394465 (2.2273e-09% change) + large trace change predicted (4.9517e-09%) linmin: converged after 17 iterations. - iteration 606: trace = 2.578881667305295 (2.18628e-09% change) + iteration 605: trace = 2.578881668266766 (4.95171e-09% change) linmin: converged after 15 iterations. - iteration 607: trace = 2.578881667282311 (8.91267e-10% change) - large trace change predicted (2.90575e-09%) + iteration 606: trace = 2.5788816682165 (1.94914e-09% change) + large trace change predicted (4.24417e-09%) + linmin: converged after 23 iterations. + iteration 607: trace = 2.578881668107051 (4.24404e-09% change) linmin: converged after 4 iterations. - iteration 608: trace = 2.578881667207375 (2.90576e-09% change) + iteration 608: trace = 2.578881667986968 (4.6564e-09% change) + linmin: converged after 14 iterations. + iteration 609: trace = 2.578881667934828 (2.02181e-09% change) linmin: converged after 3 iterations. - iteration 609: trace = 2.578881667147459 (2.32332e-09% change) - linmin: converged after 9 iterations. - iteration 610: trace = 2.578881667088488 (2.28669e-09% change) + iteration 610: trace = 2.578881667832027 (3.98626e-09% change) + linmin: converged after 24 iterations. + iteration 611: trace = 2.578881667732617 (3.85478e-09% change) + linmin: converged after 3 iterations. + iteration 612: trace = 2.578881667705632 (1.04639e-09% change) + large trace change predicted (3.43363e-09%) linmin: converged after 4 iterations. - iteration 611: trace = 2.578881666998828 (3.47671e-09% change) + iteration 613: trace = 2.578881667617083 (3.43359e-09% change) linmin: converged after 5 iterations. - iteration 612: trace = 2.578881666926084 (2.82076e-09% change) - linmin: converged after 6 iterations. - iteration 613: trace = 2.57888166690396 (8.5786e-10% change) - large trace change predicted (2.43285e-09%) - linmin: converged after 2 iterations. - iteration 614: trace = 2.57888166684122 (2.43287e-09% change) + iteration 614: trace = 2.57888166755022 (2.59275e-09% change) linmin: converged after 4 iterations. - iteration 615: trace = 2.57888166677574 (2.53905e-09% change) + iteration 615: trace = 2.578881667527432 (8.83639e-10% change) + large trace change predicted (2.44778e-09%) + linmin: converged after 4 iterations. + iteration 616: trace = 2.578881667464307 (2.44775e-09% change) linmin: converged after 4 iterations. - iteration 616: trace = 2.578881666757212 (7.18462e-10% change) - large trace change predicted (2.50814e-09%) + iteration 617: trace = 2.57888166739572 (2.65958e-09% change) + linmin: converged after 6 iterations. + iteration 618: trace = 2.578881667351125 (1.72924e-09% change) linmin: converged after 10 iterations. - iteration 617: trace = 2.57888166669253 (2.50813e-09% change) + iteration 619: trace = 2.578881667314111 (1.43527e-09% change) linmin: converged after 6 iterations. - iteration 618: trace = 2.578881666651681 (1.584e-09% change) - linmin: converged after 15 iterations. - iteration 619: trace = 2.578881666633528 (7.03911e-10% change) - large trace change predicted (1.83281e-09%) - linmin: converged after 18 iterations. - iteration 620: trace = 2.578881666586263 (1.83275e-09% change) - linmin: converged after 3 iterations. - iteration 621: trace = 2.57888166653182 (2.11111e-09% change) - linmin: converged after 12 iterations. - iteration 622: trace = 2.578881666519719 (4.69251e-10% change) - large trace change predicted (1.63917e-09%) - linmin: converged after 13 iterations. - iteration 623: trace = 2.57888166647745 (1.63906e-09% change) - linmin: converged after 18 iterations. - iteration 624: trace = 2.578881666465879 (4.48673e-10% change) - linmin: converged after 15 iterations. - iteration 625: trace = 2.578881666443046 (8.85395e-10% change) - linmin: converged after 15 iterations. - iteration 626: trace = 2.578881666412798 (1.17289e-09% change) - linmin: converged after 4 iterations. - iteration 627: trace = 2.578881666407355 (2.11086e-10% change) - large trace change predicted (7.81056e-10%) + iteration 620: trace = 2.578881667269946 (1.71255e-09% change) linmin: converged after 3 iterations. - iteration 628: trace = 2.578881666387216 (7.8092e-10% change) - linmin: converged after 5 iterations. - iteration 629: trace = 2.578881666359142 (1.08859e-09% change) - resetting CG direction... + iteration 621: trace = 2.578881667250656 (7.48012e-10% change) + large trace change predicted (2.21108e-09%) linmin: converged after 3 iterations. - iteration 630: trace = 2.578881666343821 (5.94098e-10% change) - linmin: converged after 10 iterations. - iteration 631: trace = 2.57888166633352 (3.9944e-10% change) - linmin: converged after 14 iterations. - iteration 632: trace = 2.578881666315105 (7.14071e-10% change) - linmin: converged after 15 iterations. - iteration 633: trace = 2.578881666302706 (4.80789e-10% change) - linmin: converged after 4 iterations. - iteration 634: trace = 2.578881666287663 (5.83318e-10% change) + iteration 622: trace = 2.578881667193638 (2.21094e-09% change) linmin: converged after 7 iterations. - iteration 635: trace = 2.578881666262296 (9.83636e-10% change) + iteration 623: trace = 2.578881667104195 (3.46827e-09% change) linmin: converged after 9 iterations. - iteration 636: trace = 2.578881666237984 (9.42738e-10% change) - linmin: converged after 6 iterations. - iteration 637: trace = 2.578881666228343 (3.73851e-10% change) - large trace change predicted (1.48265e-09%) + iteration 624: trace = 2.578881667087934 (6.30553e-10% change) + large trace change predicted (2.14829e-09%) + linmin: converged after 2 iterations. + iteration 625: trace = 2.578881667032534 (2.14824e-09% change) + linmin: converged after 4 iterations. + iteration 626: trace = 2.57888166698988 (1.65395e-09% change) linmin: converged after 11 iterations. - iteration 638: trace = 2.578881666190106 (1.48268e-09% change) - linmin: converged after 7 iterations. - iteration 639: trace = 2.578881666181165 (3.46695e-10% change) - large trace change predicted (1.36478e-09%) + iteration 627: trace = 2.578881666975622 (5.5289e-10% change) + large trace change predicted (2.64319e-09%) + linmin: converged after 4 iterations. + iteration 628: trace = 2.57888166690746 (2.64308e-09% change) + large trace change predicted (1.02328e-08%) + linmin: converged after 4 iterations. + iteration 629: trace = 2.578881666643563 (1.0233e-08% change) + resetting CG direction... + linmin: converged after 5 iterations. + iteration 630: trace = 2.578881666514503 (5.00449e-09% change) + linmin: converged after 10 iterations. + iteration 631: trace = 2.578881666482193 (1.25286e-09% change) linmin: converged after 5 iterations. - iteration 640: trace = 2.578881666145971 (1.3647e-09% change) + iteration 632: trace = 2.578881666430422 (2.0075e-09% change) + linmin: converged after 16 iterations. + iteration 633: trace = 2.578881666414383 (6.21926e-10% change) linmin: converged after 3 iterations. - iteration 641: trace = 2.578881666122883 (8.95279e-10% change) + iteration 634: trace = 2.578881666392552 (8.46529e-10% change) + linmin: converged after 13 iterations. + iteration 635: trace = 2.578881666361601 (1.20016e-09% change) + linmin: converged after 18 iterations. + iteration 636: trace = 2.578881666353634 (3.08931e-10% change) + large trace change predicted (1.23858e-09%) linmin: converged after 15 iterations. - iteration 642: trace = 2.578881666109266 (5.28024e-10% change) - large trace change predicted (1.20858e-09%) - linmin: converged after 4 iterations. - iteration 643: trace = 2.578881666078096 (1.20865e-09% change) - linmin: converged after 16 iterations. - iteration 644: trace = 2.578881666054388 (9.19319e-10% change) + iteration 637: trace = 2.578881666321695 (1.2385e-09% change) + linmin: converged after 13 iterations. + iteration 638: trace = 2.578881666292164 (1.14513e-09% change) linmin: converged after 10 iterations. - iteration 645: trace = 2.578881666031477 (8.88409e-10% change) + iteration 639: trace = 2.578881666283481 (3.36673e-10% change) + large trace change predicted (1.56309e-09%) + linmin: converged after 7 iterations. + iteration 640: trace = 2.578881666243172 (1.56306e-09% change) + linmin: converged after 14 iterations. + iteration 641: trace = 2.578881666224382 (7.28588e-10% change) linmin: converged after 4 iterations. - iteration 646: trace = 2.578881665998045 (1.29639e-09% change) - linmin: converged after 3 iterations. - iteration 647: trace = 2.578881665981172 (6.54282e-10% change) - linmin: converged after 9 iterations. - iteration 648: trace = 2.578881665954198 (1.04592e-09% change) + iteration 642: trace = 2.578881666195587 (1.11658e-09% change) linmin: converged after 4 iterations. - iteration 649: trace = 2.578881665913589 (1.57469e-09% change) - linmin: converged after 7 iterations. - iteration 650: trace = 2.578881665902702 (4.22154e-10% change) - large trace change predicted (1.1464e-09%) - linmin: converged after 6 iterations. - iteration 651: trace = 2.578881665873137 (1.14642e-09% change) - linmin: converged after 18 iterations. - iteration 652: trace = 2.578881665839885 (1.28942e-09% change) - linmin: converged after 15 iterations. - iteration 653: trace = 2.578881665830862 (3.49881e-10% change) - linmin: converged after 2 iterations. - iteration 654: trace = 2.578881665817207 (5.29487e-10% change) + iteration 643: trace = 2.578881666166046 (1.14551e-09% change) linmin: converged after 5 iterations. - iteration 655: trace = 2.578881665794501 (8.8047e-10% change) + iteration 644: trace = 2.578881666136249 (1.15541e-09% change) linmin: converged after 4 iterations. - iteration 656: trace = 2.578881665787002 (2.90781e-10% change) - large trace change predicted (7.61912e-10%) + iteration 645: trace = 2.578881666125609 (4.12597e-10% change) + large trace change predicted (1.46518e-09%) + linmin: converged after 13 iterations. + iteration 646: trace = 2.578881666087827 (1.46506e-09% change) + linmin: converged after 6 iterations. + iteration 647: trace = 2.578881666071078 (6.49461e-10% change) linmin: converged after 9 iterations. - iteration 657: trace = 2.578881665767358 (7.61737e-10% change) - linmin: converged after 3 iterations. - iteration 658: trace = 2.578881665742176 (9.76438e-10% change) + iteration 648: trace = 2.578881666047117 (9.29134e-10% change) + linmin: converged after 5 iterations. + iteration 649: trace = 2.578881666021171 (1.00609e-09% change) linmin: converged after 7 iterations. - iteration 659: trace = 2.578881665722106 (7.78251e-10% change) - linmin: converged after 10 iterations. - iteration 660: trace = 2.578881665715547 (2.54343e-10% change) - large trace change predicted (1.06009e-09%) - linmin: converged after 10 iterations. - iteration 661: trace = 2.57888166568821 (1.06003e-09% change) - linmin: converged after 15 iterations. - iteration 662: trace = 2.578881665671198 (6.59672e-10% change) + iteration 650: trace = 2.578881666009162 (4.65669e-10% change) + large trace change predicted (1.14316e-09%) + linmin: converged after 4 iterations. + iteration 651: trace = 2.57888166597968 (1.14318e-09% change) + linmin: converged after 13 iterations. + iteration 652: trace = 2.578881665946377 (1.29138e-09% change) + linmin: converged after 6 iterations. + iteration 653: trace = 2.578881665938602 (3.01509e-10% change) + large trace change predicted (9.67445e-10%) + linmin: converged after 9 iterations. + iteration 654: trace = 2.578881665913654 (9.67381e-10% change) linmin: converged after 5 iterations. - iteration 663: trace = 2.578881665661258 (3.8544e-10% change) + iteration 655: trace = 2.578881665888554 (9.73304e-10% change) + linmin: converged after 2 iterations. + iteration 656: trace = 2.578881665881432 (2.76144e-10% change) + large trace change predicted (9.06778e-10%) + linmin: converged after 2 iterations. + iteration 657: trace = 2.578881665858047 (9.068e-10% change) linmin: converged after 5 iterations. - iteration 664: trace = 2.578881665642224 (7.38076e-10% change) - linmin: converged after 6 iterations. - iteration 665: trace = 2.578881665620788 (8.3122e-10% change) - linmin: converged after 8 iterations. - iteration 666: trace = 2.578881665613722 (2.73991e-10% change) - large trace change predicted (8.01187e-10%) + iteration 658: trace = 2.578881665826301 (1.23099e-09% change) linmin: converged after 12 iterations. - iteration 667: trace = 2.578881665593063 (8.01085e-10% change) + iteration 659: trace = 2.578881665803924 (8.6771e-10% change) + linmin: converged after 4 iterations. + iteration 660: trace = 2.578881665788485 (5.98678e-10% change) + linmin: converged after 19 iterations. + iteration 661: trace = 2.578881665762616 (1.0031e-09% change) linmin: converged after 9 iterations. - iteration 668: trace = 2.578881665570797 (8.63388e-10% change) - linmin: converged after 6 iterations. - iteration 669: trace = 2.578881665562785 (3.1067e-10% change) - large trace change predicted (6.48335e-10%) - linmin: converged after 14 iterations. - iteration 670: trace = 2.578881665546068 (6.48238e-10% change) + iteration 662: trace = 2.578881665722088 (1.57153e-09% change) + linmin: converged after 4 iterations. + iteration 663: trace = 2.578881665715407 (2.59078e-10% change) + large trace change predicted (1.11764e-09%) + linmin: converged after 8 iterations. + iteration 664: trace = 2.578881665686587 (1.11754e-09% change) + linmin: converged after 16 iterations. + iteration 665: trace = 2.578881665670291 (6.31879e-10% change) + linmin: converged after 7 iterations. + iteration 666: trace = 2.578881665663333 (2.69806e-10% change) + large trace change predicted (9.33063e-10%) + linmin: converged after 4 iterations. + iteration 667: trace = 2.578881665639272 (9.33009e-10% change) + linmin: converged after 4 iterations. + iteration 668: trace = 2.578881665617841 (8.31014e-10% change) linmin: converged after 2 iterations. - iteration 671: trace = 2.578881665528613 (6.76841e-10% change) - linmin: converged after 5 iterations. - iteration 672: trace = 2.578881665523364 (2.03543e-10% change) - large trace change predicted (5.97932e-10%) + iteration 669: trace = 2.578881665612382 (2.11688e-10% change) + large trace change predicted (6.19693e-10%) + linmin: converged after 3 iterations. + iteration 670: trace = 2.578881665596402 (6.19653e-10% change) + linmin: converged after 4 iterations. + iteration 671: trace = 2.578881665583831 (4.8747e-10% change) + linmin: converged after 3 iterations. + iteration 672: trace = 2.578881665577921 (2.2915e-10% change) + large trace change predicted (7.29887e-10%) + linmin: converged after 3 iterations. + iteration 673: trace = 2.578881665559098 (7.29879e-10% change) + linmin: converged after 3 iterations. + iteration 674: trace = 2.578881665553563 (2.14633e-10% change) linmin: converged after 5 iterations. - iteration 673: trace = 2.578881665507944 (5.97921e-10% change) + iteration 675: trace = 2.578881665543927 (3.73679e-10% change) + linmin: converged after 4 iterations. + iteration 676: trace = 2.578881665529134 (5.73588e-10% change) + linmin: converged after 4 iterations. + iteration 677: trace = 2.578881665518346 (4.18331e-10% change) + linmin: converged after 4 iterations. + iteration 678: trace = 2.578881665512411 (2.30131e-10% change) + large trace change predicted (6.27421e-10%) + linmin: converged after 13 iterations. + iteration 679: trace = 2.578881665496229 (6.27505e-10% change) + linmin: converged after 2 iterations. + iteration 680: trace = 2.57888166548933 (2.67499e-10% change) + large trace change predicted (5.9057e-10%) + linmin: converged after 18 iterations. + iteration 681: trace = 2.578881665474098 (5.90636e-10% change) linmin: converged after 9 iterations. - iteration 674: trace = 2.578881665493631 (5.55025e-10% change) + iteration 682: trace = 2.578881665455171 (7.3396e-10% change) + linmin: converged after 3 iterations. + iteration 683: trace = 2.578881665447551 (2.95465e-10% change) linmin: converged after 6 iterations. - iteration 675: trace = 2.57888166548984 (1.47009e-10% change) - large trace change predicted (3.77037e-10%) + iteration 684: trace = 2.57888166543299 (5.64617e-10% change) linmin: converged after 6 iterations. - iteration 676: trace = 2.578881665480119 (3.76916e-10% change) - linmin: converged after 5 iterations. - iteration 677: trace = 2.578881665464972 (5.87365e-10% change) + iteration 685: trace = 2.578881665414043 (7.34684e-10% change) linmin: converged after 4 iterations. - iteration 678: trace = 2.578881665461953 (1.1708e-10% change) - large trace change predicted (6.74851e-10%) + iteration 686: trace = 2.578881665401696 (4.78774e-10% change) + linmin: converged after 9 iterations. + iteration 687: trace = 2.578881665395402 (2.44079e-10% change) linmin: converged after 4 iterations. - iteration 679: trace = 2.578881665444547 (6.74912e-10% change) + iteration 688: trace = 2.578881665383497 (4.6164e-10% change) linmin: converged after 4 iterations. - iteration 680: trace = 2.578881665429346 (5.89466e-10% change) + iteration 689: trace = 2.578881665374261 (3.58129e-10% change) linmin: converged after 7 iterations. - iteration 681: trace = 2.578881665423999 (2.07349e-10% change) - large trace change predicted (5.60156e-10%) + iteration 690: trace = 2.578881665366643 (2.95413e-10% change) linmin: converged after 5 iterations. - iteration 682: trace = 2.578881665409554 (5.60122e-10% change) - linmin: converged after 3 iterations. - iteration 683: trace = 2.578881665396096 (5.21824e-10% change) + iteration 691: trace = 2.578881665351557 (5.84971e-10% change) linmin: converged after 3 iterations. - iteration 684: trace = 2.57888166539108 (1.94502e-10% change) - large trace change predicted (6.56312e-10%) - linmin: converged after 16 iterations. - iteration 685: trace = 2.578881665374154 (6.56332e-10% change) - linmin: converged after 7 iterations. - iteration 686: trace = 2.578881665363821 (4.00697e-10% change) - linmin: converged after 9 iterations. - iteration 687: trace = 2.578881665358802 (1.94606e-10% change) - large trace change predicted (4.55198e-10%) - linmin: converged after 10 iterations. - iteration 688: trace = 2.578881665347064 (4.55182e-10% change) - linmin: converged after 4 iterations. - iteration 689: trace = 2.578881665336897 (3.94223e-10% change) - linmin: converged after 16 iterations. - iteration 690: trace = 2.578881665333923 (1.15324e-10% change) - large trace change predicted (3.39979e-10%) - linmin: converged after 4 iterations. - iteration 691: trace = 2.578881665325157 (3.3991e-10% change) - linmin: converged after 4 iterations. - iteration 692: trace = 2.578881665316311 (3.43027e-10% change) - linmin: converged after 6 iterations. - iteration 693: trace = 2.578881665313618 (1.04406e-10% change) - large trace change predicted (2.96526e-10%) + iteration 692: trace = 2.578881665348247 (1.2836e-10% change) + large trace change predicted (3.00582e-10%) + linmin: converged after 5 iterations. + iteration 693: trace = 2.578881665340496 (3.00545e-10% change) linmin: converged after 7 iterations. - iteration 694: trace = 2.57888166530597 (2.96567e-10% change) - linmin: converged after 6 iterations. - iteration 695: trace = 2.578881665298785 (2.78606e-10% change) + iteration 694: trace = 2.578881665333161 (2.84444e-10% change) linmin: converged after 7 iterations. - iteration 696: trace = 2.578881665297254 (5.93926e-11% change) + iteration 695: trace = 2.578881665326711 (2.50072e-10% change) + linmin: converged after 3 iterations. + iteration 696: trace = 2.578881665324137 (9.98256e-11% change) Finished solving for bands 1 to 10 after 696 iterations. tmfreqs:, 6, 0.5, 0.333333, 0, 0.600925, 0.214081, 0.353217, 0.365001, 0.471977, 0.507165, 0.51079, 0.563894, 0.615052, 0.646178, 0.648357 -elapsed time for k point: 16.92340064048767 +elapsed time for k point: 58.075411558151245 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 10... - linmin: converged after 5 iterations. - iteration 1: trace = 2.744311410172535 (2.29524% change) + linmin: converged after 6 iterations. + iteration 1: trace = 2.744311600495411 (2.29524% change) linmin: converged after 4 iterations. - iteration 2: trace = 2.727853103981993 (0.601528% change) + iteration 2: trace = 2.727853318636231 (0.601527% change) linmin: converged after 4 iterations. - iteration 3: trace = 2.712444441749315 (0.566464% change) + iteration 3: trace = 2.712444722850743 (0.566461% change) linmin: converged after 3 iterations. - iteration 4: trace = 2.709059546823127 (0.124869% change) - large trace change predicted (0.449863%) - linmin: converged after 7 iterations. - iteration 5: trace = 2.697340830608071 (0.433513% change) + iteration 4: trace = 2.709059842560203 (0.124869% change) + large trace change predicted (0.449861%) + linmin: converged after 6 iterations. + iteration 5: trace = 2.697341173695297 (0.433511% change) linmin: converged after 3 iterations. - iteration 6: trace = 2.694429760772978 (0.107982% change) + iteration 6: trace = 2.694430104868732 (0.107982% change) linmin: converged after 4 iterations. - iteration 7: trace = 2.689690564093613 (0.176043% change) + iteration 7: trace = 2.689690905372685 (0.176044% change) linmin: converged after 4 iterations. - iteration 8: trace = 2.684920542952841 (0.177502% change) + iteration 8: trace = 2.684920893354251 (0.177502% change) linmin: converged after 4 iterations. - iteration 9: trace = 2.683317568732568 (0.0597207% change) + iteration 9: trace = 2.683317908795826 (0.0597211% change) large trace change predicted (0.123464%) linmin: converged after 4 iterations. - iteration 10: trace = 2.680110892691566 (0.119576% change) + iteration 10: trace = 2.680111220136283 (0.119576% change) linmin: converged after 4 iterations. - iteration 11: trace = 2.678993858887157 (0.0416873% change) + iteration 11: trace = 2.678994176673746 (0.0416877% change) linmin: converged after 4 iterations. - iteration 12: trace = 2.677047331401911 (0.0726853% change) + iteration 12: trace = 2.677047640725367 (0.0726856% change) linmin: converged after 4 iterations. - iteration 13: trace = 2.675749424417922 (0.0484945% change) + iteration 13: trace = 2.675749724102646 (0.0484949% change) linmin: converged after 4 iterations. - iteration 14: trace = 2.675253258988021 (0.0185448% change) - large trace change predicted (0.068996%) - linmin: converged after 5 iterations. - iteration 15: trace = 2.67346651688732 (0.0668101% change) + iteration 14: trace = 2.675253558198462 (0.0185448% change) + large trace change predicted (0.0689965%) + linmin: converged after 6 iterations. + iteration 15: trace = 2.673466802995802 (0.0668106% change) linmin: converged after 4 iterations. - iteration 16: trace = 2.672597464826754 (0.0325118% change) - large trace change predicted (0.0848744%) - linmin: converged after 8 iterations. - iteration 17: trace = 2.670556083231295 (0.0764111% change) + iteration 16: trace = 2.672597732723244 (0.0325125% change) + large trace change predicted (0.0848745%) linmin: converged after 6 iterations. - iteration 18: trace = 2.669703646499506 (0.0319249% change) + iteration 17: trace = 2.670556347565114 (0.0764112% change) linmin: converged after 6 iterations. - iteration 19: trace = 2.668900101656904 (0.0301032% change) + iteration 18: trace = 2.669703899102692 (0.0319254% change) + linmin: converged after 5 iterations. + iteration 19: trace = 2.668900346447788 (0.0301035% change) linmin: converged after 4 iterations. - iteration 20: trace = 2.668441533479629 (0.0171834% change) + iteration 20: trace = 2.668441774652305 (0.0171835% change) linmin: converged after 4 iterations. - iteration 21: trace = 2.667894062344125 (0.0205186% change) + iteration 21: trace = 2.667894292587708 (0.020519% change) linmin: converged after 4 iterations. - iteration 22: trace = 2.667712188808791 (0.00681735% change) + iteration 22: trace = 2.66771241794796 (0.00681739% change) linmin: converged after 4 iterations. - iteration 23: trace = 2.667380419114014 (0.0124373% change) + iteration 23: trace = 2.667380642035111 (0.0124375% change) linmin: converged after 4 iterations. - iteration 24: trace = 2.667218855539889 (0.0060572% change) - large trace change predicted (0.0140636%) + iteration 24: trace = 2.667219077819682 (0.00605722% change) + large trace change predicted (0.0140638%) linmin: converged after 4 iterations. - iteration 25: trace = 2.666847521292431 (0.0139231% change) - linmin: converged after 3 iterations. - iteration 26: trace = 2.6667143800038 (0.00499258% change) - large trace change predicted (0.0115123%) + iteration 25: trace = 2.666847738541912 (0.0139233% change) + linmin: converged after 5 iterations. + iteration 26: trace = 2.666714593567328 (0.00499272% change) + large trace change predicted (0.0115121%) linmin: converged after 4 iterations. - iteration 27: trace = 2.66640781126585 (0.0114968% change) - linmin: converged after 11 iterations. - iteration 28: trace = 2.666220086697824 (0.0070406% change) + iteration 27: trace = 2.666408028928744 (0.0114966% change) + linmin: converged after 3 iterations. + iteration 28: trace = 2.666220295023964 (0.00704095% change) linmin: converged after 4 iterations. - iteration 29: trace = 2.665972895818446 (0.00927164% change) + iteration 29: trace = 2.665973109457628 (0.00927144% change) linmin: converged after 4 iterations. - iteration 30: trace = 2.665788972806222 (0.00689915% change) + iteration 30: trace = 2.665789173159694 (0.00689964% change) linmin: converged after 4 iterations. - iteration 31: trace = 2.665603882228924 (0.00694342% change) + iteration 31: trace = 2.665604093365311 (0.00694302% change) linmin: converged after 3 iterations. - iteration 32: trace = 2.665322188329073 (0.0105683% change) + iteration 32: trace = 2.665322382816333 (0.0105689% change) linmin: converged after 3 iterations. - iteration 33: trace = 2.665175158192592 (0.00551656% change) + iteration 33: trace = 2.66517535838314 (0.00551635% change) linmin: converged after 3 iterations. - iteration 34: trace = 2.664933715828463 (0.00905957% change) + iteration 34: trace = 2.664933902724124 (0.00906006% change) linmin: converged after 3 iterations. - iteration 35: trace = 2.664826780090388 (0.00401278% change) - large trace change predicted (0.00927276%) + iteration 35: trace = 2.664826971531189 (0.00401261% change) + large trace change predicted (0.00927309%) linmin: converged after 4 iterations. - iteration 36: trace = 2.66457547825066 (0.00943077% change) + iteration 36: trace = 2.664575660514381 (0.00943111% change) linmin: converged after 3 iterations. - iteration 37: trace = 2.664485881232104 (0.00336258% change) - large trace change predicted (0.00824578%) + iteration 37: trace = 2.66448606258057 (0.00336262% change) + large trace change predicted (0.00824586%) linmin: converged after 3 iterations. - iteration 38: trace = 2.664263025652231 (0.00836427% change) + iteration 38: trace = 2.664263204643031 (0.00836436% change) linmin: converged after 3 iterations. - iteration 39: trace = 2.664167506728726 (0.00358526% change) - large trace change predicted (0.00963708%) + iteration 39: trace = 2.664167683037705 (0.00358536% change) + large trace change predicted (0.009637%) linmin: converged after 3 iterations. - iteration 40: trace = 2.663907469075595 (0.00976104% change) + iteration 40: trace = 2.663907647815751 (0.00976094% change) linmin: converged after 4 iterations. - iteration 41: trace = 2.663804843372543 (0.00385252% change) - large trace change predicted (0.0104144%) + iteration 41: trace = 2.663805012676973 (0.00385288% change) + large trace change predicted (0.0104139%) linmin: converged after 4 iterations. - iteration 42: trace = 2.663525567935192 (0.0104846% change) + iteration 42: trace = 2.663525749522389 (0.0104842% change) linmin: converged after 4 iterations. - iteration 43: trace = 2.663401433118001 (0.00466065% change) - large trace change predicted (0.00944252%) + iteration 43: trace = 2.663401597109917 (0.00466131% change) + large trace change predicted (0.00944209%) linmin: converged after 4 iterations. - iteration 44: trace = 2.663148934646257 (0.00948075% change) + iteration 44: trace = 2.663149110218455 (0.00948031% change) linmin: converged after 5 iterations. - iteration 45: trace = 2.663044722878014 (0.00391318% change) - large trace change predicted (0.00794065%) - linmin: converged after 6 iterations. - iteration 46: trace = 2.662833185848342 (0.00794374% change) - linmin: converged after 7 iterations. - iteration 47: trace = 2.662716651292053 (0.00437643% change) + iteration 45: trace = 2.663044879034676 (0.00391391% change) + large trace change predicted (0.00793996%) + linmin: converged after 5 iterations. + iteration 46: trace = 2.662833360367833 (0.00794305% change) linmin: converged after 4 iterations. - iteration 48: trace = 2.662492747508043 (0.0084092% change) + iteration 47: trace = 2.662716804173365 (0.00437725% change) linmin: converged after 4 iterations. - iteration 49: trace = 2.662363037863714 (0.00487186% change) + iteration 48: trace = 2.662492924810619 (0.00840828% change) + linmin: converged after 7 iterations. + iteration 49: trace = 2.662363184052494 (0.00487302% change) linmin: converged after 4 iterations. - iteration 50: trace = 2.662194241317517 (0.0063403% change) + iteration 50: trace = 2.662194413711093 (0.00633932% change) linmin: converged after 4 iterations. - iteration 51: trace = 2.662058110012701 (0.00511363% change) + iteration 51: trace = 2.662058252250159 (0.00511476% change) linmin: converged after 4 iterations. - iteration 52: trace = 2.661879837579253 (0.00669701% change) + iteration 52: trace = 2.661880016786311 (0.00669562% change) linmin: converged after 4 iterations. - iteration 53: trace = 2.661724274974738 (0.00584426% change) - linmin: converged after 3 iterations. - iteration 54: trace = 2.661571455766341 (0.00574153% change) + iteration 53: trace = 2.661724412195437 (0.00584584% change) linmin: converged after 4 iterations. - iteration 55: trace = 2.661350484327378 (0.00830264% change) + iteration 54: trace = 2.661571642046316 (0.00573968% change) linmin: converged after 4 iterations. - iteration 56: trace = 2.6611907399719 (0.00600256% change) + iteration 55: trace = 2.661350624050231 (0.00830439% change) linmin: converged after 4 iterations. - iteration 57: trace = 2.660967561304287 (0.00838677% change) - linmin: converged after 5 iterations. - iteration 58: trace = 2.66084913615252 (0.00445055% change) - large trace change predicted (0.00999701%) + iteration 56: trace = 2.661190925385156 (0.00600084% change) linmin: converged after 4 iterations. - iteration 59: trace = 2.660585993234703 (0.00988992% change) + iteration 57: trace = 2.660967698547436 (0.00838858% change) + linmin: converged after 5 iterations. + iteration 58: trace = 2.660849307425892 (0.00444927% change) + large trace change predicted (0.00999815%) linmin: converged after 4 iterations. - iteration 60: trace = 2.660492776586203 (0.00350367% change) - large trace change predicted (0.00837954%) + iteration 59: trace = 2.660586134963641 (0.00989103% change) linmin: converged after 4 iterations. - iteration 61: trace = 2.660271581660874 (0.0083144% change) + iteration 60: trace = 2.660492923654937 (0.00350347% change) + large trace change predicted (0.00837957%) linmin: converged after 4 iterations. - iteration 62: trace = 2.660168609590275 (0.00387081% change) - large trace change predicted (0.0102888%) + iteration 61: trace = 2.660271727936852 (0.00831443% change) linmin: converged after 4 iterations. - iteration 63: trace = 2.659896367675257 (0.0102345% change) - linmin: converged after 3 iterations. - iteration 64: trace = 2.659777297611458 (0.00447659% change) + iteration 62: trace = 2.660168751437638 (0.00387098% change) + large trace change predicted (0.010288%) linmin: converged after 4 iterations. - iteration 65: trace = 2.659570122497851 (0.00778949% change) - linmin: converged after 4 iterations. - iteration 66: trace = 2.659406458669784 (0.00615396% change) + iteration 63: trace = 2.659896531372551 (0.0102337% change) + linmin: converged after 7 iterations. + iteration 64: trace = 2.659777426992791 (0.00447788% change) linmin: converged after 4 iterations. - iteration 67: trace = 2.659264246045999 (0.00534768% change) + iteration 65: trace = 2.659570299598828 (0.0077877% change) + linmin: converged after 3 iterations. + iteration 66: trace = 2.659406585163245 (0.00615586% change) + linmin: converged after 3 iterations. + iteration 67: trace = 2.659264407822573 (0.00534635% change) linmin: converged after 4 iterations. - iteration 68: trace = 2.659119260361261 (0.00545225% change) + iteration 68: trace = 2.659119381152186 (0.00545379% change) linmin: converged after 4 iterations. - iteration 69: trace = 2.659023749085827 (0.0035919% change) + iteration 69: trace = 2.659023902312978 (0.00359068% change) resetting CG direction... - linmin: converged after 5 iterations. - iteration 70: trace = 2.65891569687871 (0.00406369% change) - large trace change predicted (0.0163852%) + linmin: converged after 6 iterations. + iteration 70: trace = 2.658915860327761 (0.0040633% change) + large trace change predicted (0.0163861%) linmin: converged after 3 iterations. - iteration 71: trace = 2.658478029559357 (0.0164617% change) + iteration 71: trace = 2.658478170048074 (0.0164626% change) linmin: converged after 3 iterations. - iteration 72: trace = 2.658118864432807 (0.0135111% change) + iteration 72: trace = 2.658118946943473 (0.0135133% change) linmin: converged after 3 iterations. - iteration 73: trace = 2.657882808808801 (0.00888095% change) + iteration 73: trace = 2.657882951510536 (0.00887868% change) linmin: converged after 3 iterations. - iteration 74: trace = 2.657598191615639 (0.010709% change) + iteration 74: trace = 2.657598324966869 (0.0107093% change) linmin: converged after 3 iterations. - iteration 75: trace = 2.65754141878134 (0.00213627% change) - large trace change predicted (0.00463006%) + iteration 75: trace = 2.657541544383283 (0.00213656% change) + large trace change predicted (0.00463032%) linmin: converged after 3 iterations. - iteration 76: trace = 2.6574181599615 (0.00463818% change) + iteration 76: trace = 2.657418278688639 (0.00463844% change) linmin: converged after 3 iterations. - iteration 77: trace = 2.657346029134954 (0.00271436% change) - linmin: converged after 4 iterations. - iteration 78: trace = 2.657324623641427 (0.000805525% change) - large trace change predicted (0.00211714%) + iteration 77: trace = 2.657346142140543 (0.00271457% change) + linmin: converged after 5 iterations. + iteration 78: trace = 2.657324737810113 (0.000805481% change) + large trace change predicted (0.00211718%) linmin: converged after 3 iterations. - iteration 79: trace = 2.657268244732419 (0.00212166% change) - linmin: converged after 4 iterations. - iteration 80: trace = 2.657245571948162 (0.00085324% change) + iteration 79: trace = 2.657268357914025 (0.0021217% change) linmin: converged after 3 iterations. - iteration 81: trace = 2.657219519060036 (0.000980452% change) + iteration 80: trace = 2.657245684243007 (0.000853274% change) linmin: converged after 3 iterations. - iteration 82: trace = 2.657182540698972 (0.00139163% change) + iteration 81: trace = 2.657219630265685 (0.000980493% change) linmin: converged after 3 iterations. - iteration 83: trace = 2.657167952997687 (0.000548993% change) - large trace change predicted (0.00207297%) + iteration 82: trace = 2.657182653039831 (0.00139159% change) linmin: converged after 3 iterations. - iteration 84: trace = 2.657112818408914 (0.00207496% change) + iteration 83: trace = 2.657168062023943 (0.000549118% change) + large trace change predicted (0.00207295%) linmin: converged after 3 iterations. - iteration 85: trace = 2.657051996839505 (0.00228904% change) - linmin: converged after 4 iterations. - iteration 86: trace = 2.65701749848855 (0.00129838% change) - large trace change predicted (0.00419276%) + iteration 84: trace = 2.657112928013452 (0.00207494% change) linmin: converged after 3 iterations. - iteration 87: trace = 2.656905828655492 (0.00420291% change) - linmin: converged after 5 iterations. - iteration 88: trace = 2.656840696939022 (0.00245144% change) + iteration 85: trace = 2.657052106189077 (0.00228905% change) + linmin: converged after 18 iterations. + iteration 86: trace = 2.657017604518472 (0.0012985% change) + large trace change predicted (0.00419278%) linmin: converged after 3 iterations. - iteration 89: trace = 2.656716135156853 (0.00468845% change) + iteration 87: trace = 2.656905934249304 (0.00420293% change) linmin: converged after 4 iterations. - iteration 90: trace = 2.656564648783219 (0.00570218% change) + iteration 88: trace = 2.656840785567522 (0.00245208% change) linmin: converged after 3 iterations. - iteration 91: trace = 2.656504293119446 (0.00227197% change) - large trace change predicted (0.00808399%) - linmin: converged after 4 iterations. - iteration 92: trace = 2.656289710721658 (0.00807795% change) + iteration 89: trace = 2.656716235415788 (0.00468801% change) + linmin: converged after 11 iterations. + iteration 90: trace = 2.656564742090749 (0.00570244% change) linmin: converged after 3 iterations. - iteration 93: trace = 2.656193398884594 (0.00362587% change) - linmin: converged after 4 iterations. - iteration 94: trace = 2.656063303563878 (0.00489793% change) + iteration 91: trace = 2.656504383898718 (0.00227207% change) + large trace change predicted (0.00808355%) + linmin: converged after 5 iterations. + iteration 92: trace = 2.65628981323316 (0.00807751% change) + linmin: converged after 3 iterations. + iteration 93: trace = 2.656193469757225 (0.00362706% change) linmin: converged after 4 iterations. - iteration 95: trace = 2.65588978810328 (0.00653302% change) + iteration 94: trace = 2.656063395417389 (0.00489714% change) linmin: converged after 4 iterations. - iteration 96: trace = 2.655839026062192 (0.00191132% change) - large trace change predicted (0.00421328%) + iteration 95: trace = 2.655889857316643 (0.00653387% change) linmin: converged after 4 iterations. - iteration 97: trace = 2.655727133042021 (0.00421318% change) + iteration 96: trace = 2.655839097812938 (0.00191122% change) + large trace change predicted (0.00421338%) + linmin: converged after 3 iterations. + iteration 97: trace = 2.655727201930532 (0.00421329% change) linmin: converged after 4 iterations. - iteration 98: trace = 2.655616063930675 (0.00418234% change) + iteration 98: trace = 2.655616108810665 (0.00418324% change) linmin: converged after 4 iterations. - iteration 99: trace = 2.655571094945199 (0.00169337% change) + iteration 99: trace = 2.655571148371071 (0.00169305% change) linmin: converged after 3 iterations. - iteration 100: trace = 2.655503705479084 (0.0025377% change) + iteration 100: trace = 2.655503748274493 (0.0025381% change) linmin: converged after 3 iterations. - iteration 101: trace = 2.655488873170593 (0.000558551% change) - large trace change predicted (0.00182285%) + iteration 101: trace = 2.655488917468247 (0.000558495% change) + large trace change predicted (0.00182295%) linmin: converged after 4 iterations. - iteration 102: trace = 2.655440488909325 (0.00182206% change) + iteration 102: trace = 2.655440530600576 (0.00182216% change) linmin: converged after 4 iterations. - iteration 103: trace = 2.655383123394544 (0.00216032% change) + iteration 103: trace = 2.655383163983917 (0.00216037% change) linmin: converged after 4 iterations. - iteration 104: trace = 2.655357411136051 (0.000968312% change) - large trace change predicted (0.00357609%) + iteration 104: trace = 2.655357450486413 (0.000968358% change) + large trace change predicted (0.00357666%) linmin: converged after 4 iterations. - iteration 105: trace = 2.655262405601 (0.00357795% change) + iteration 105: trace = 2.655262429874892 (0.00357851% change) linmin: converged after 4 iterations. - iteration 106: trace = 2.655229505066107 (0.00123908% change) - large trace change predicted (0.00270573%) + iteration 106: trace = 2.655229528617337 (0.0012391% change) + large trace change predicted (0.00270547%) linmin: converged after 3 iterations. - iteration 107: trace = 2.655157599236592 (0.00270812% change) + iteration 107: trace = 2.655157629762591 (0.00270786% change) linmin: converged after 3 iterations. - iteration 108: trace = 2.655030881092197 (0.00477264% change) + iteration 108: trace = 2.65503090774606 (0.00477279% change) linmin: converged after 4 iterations. - iteration 109: trace = 2.654980391165855 (0.00190169% change) - large trace change predicted (0.00534938%) + iteration 109: trace = 2.654980415587474 (0.00190177% change) + large trace change predicted (0.00534982%) linmin: converged after 4 iterations. - iteration 110: trace = 2.654838247825655 (0.00535398% change) + iteration 110: trace = 2.654838260601772 (0.00535442% change) linmin: converged after 4 iterations. - iteration 111: trace = 2.654712126604666 (0.00475073% change) + iteration 111: trace = 2.654712140910064 (0.00475067% change) linmin: converged after 4 iterations. - iteration 112: trace = 2.654658435472756 (0.0020225% change) + iteration 112: trace = 2.65465847033123 (0.00202173% change) linmin: converged after 4 iterations. - iteration 113: trace = 2.654566797648508 (0.00345202% change) - linmin: converged after 5 iterations. - iteration 114: trace = 2.654539465977521 (0.00102961% change) - large trace change predicted (0.00383317%) - linmin: converged after 3 iterations. - iteration 115: trace = 2.654437740028257 (0.00383222% change) - linmin: converged after 13 iterations. - iteration 116: trace = 2.65436452799665 (0.00275814% change) + iteration 113: trace = 2.654566820400515 (0.00345248% change) + linmin: converged after 4 iterations. + iteration 114: trace = 2.654539489195457 (0.0010296% change) + large trace change predicted (0.00383301%) linmin: converged after 3 iterations. - iteration 117: trace = 2.654340158878017 (0.000918082% change) - large trace change predicted (0.00275112%) + iteration 115: trace = 2.654437767470641 (0.00383206% change) linmin: converged after 4 iterations. - iteration 118: trace = 2.654267180109325 (0.00274945% change) + iteration 116: trace = 2.654364551480537 (0.00275829% change) linmin: converged after 3 iterations. - iteration 119: trace = 2.654255143822632 (0.00045347% change) - large trace change predicted (0.00136357%) - linmin: converged after 8 iterations. - iteration 120: trace = 2.654218969640244 (0.00136288% change) + iteration 117: trace = 2.654340176526828 (0.000918301% change) + large trace change predicted (0.0027513%) linmin: converged after 3 iterations. - iteration 121: trace = 2.654200850635746 (0.000682652% change) - linmin: converged after 4 iterations. - iteration 122: trace = 2.654193372526644 (0.000281747% change) - large trace change predicted (0.000758505%) + iteration 118: trace = 2.654267193024879 (0.00274963% change) + linmin: converged after 3 iterations. + iteration 119: trace = 2.654255153409944 (0.000453596% change) + large trace change predicted (0.00136373%) linmin: converged after 4 iterations. - iteration 123: trace = 2.654173241575085 (0.000758461% change) + iteration 120: trace = 2.65421897516816 (0.00136304% change) + linmin: converged after 3 iterations. + iteration 121: trace = 2.654200858591833 (0.00068256% change) linmin: converged after 4 iterations. - iteration 124: trace = 2.654167273712889 (0.000224849% change) + iteration 122: trace = 2.654193380712837 (0.000281738% change) + large trace change predicted (0.000758485%) + linmin: converged after 3 iterations. + iteration 123: trace = 2.654173250291119 (0.000758441% change) + linmin: converged after 5 iterations. + iteration 124: trace = 2.654167279551145 (0.000224957% change) linmin: converged after 3 iterations. - iteration 125: trace = 2.654157909158193 (0.000352825% change) + iteration 125: trace = 2.654157917997351 (0.000352712% change) linmin: converged after 4 iterations. - iteration 126: trace = 2.654147418774747 (0.000395244% change) + iteration 126: trace = 2.654147424543652 (0.00039536% change) linmin: converged after 4 iterations. - iteration 127: trace = 2.654143555327086 (0.000145563% change) - large trace change predicted (0.000376651%) + iteration 127: trace = 2.654143561101081 (0.000145563% change) + large trace change predicted (0.000376549%) linmin: converged after 3 iterations. - iteration 128: trace = 2.654133558239182 (0.00037666% change) + iteration 128: trace = 2.654133566726991 (0.000376558% change) linmin: converged after 3 iterations. - iteration 129: trace = 2.654120959872817 (0.000474671% change) - linmin: converged after 21 iterations. - iteration 130: trace = 2.654109179577582 (0.00044385% change) - linmin: converged after 3 iterations. - iteration 131: trace = 2.654085868645411 (0.0008783% change) + iteration 129: trace = 2.654120961877576 (0.000474915% change) linmin: converged after 6 iterations. - iteration 132: trace = 2.654077836153245 (0.000302647% change) - large trace change predicted (0.000990896%) + iteration 130: trace = 2.654109186691434 (0.000443658% change) linmin: converged after 3 iterations. - iteration 133: trace = 2.654051522513667 (0.000991447% change) + iteration 131: trace = 2.654085878996827 (0.000878178% change) + linmin: converged after 4 iterations. + iteration 132: trace = 2.654077845755275 (0.000302675% change) + large trace change predicted (0.000990811%) linmin: converged after 3 iterations. - iteration 134: trace = 2.654040114299677 (0.000429842% change) + iteration 133: trace = 2.654051534360904 (0.000991362% change) + linmin: converged after 4 iterations. + iteration 134: trace = 2.654040118923131 (0.000430115% change) linmin: converged after 3 iterations. - iteration 135: trace = 2.654033606051378 (0.000245221% change) + iteration 135: trace = 2.654033615770577 (0.000245029% change) + linmin: converged after 5 iterations. + iteration 136: trace = 2.654022215748866 (0.000429537% change) linmin: converged after 3 iterations. - iteration 136: trace = 2.654022205557455 (0.000429554% change) + iteration 137: trace = 2.654018105247738 (0.000154878% change) + large trace change predicted (0.000481071%) linmin: converged after 3 iterations. - iteration 137: trace = 2.654018098603656 (0.000154745% change) - large trace change predicted (0.000481156%) - linmin: converged after 5 iterations. - iteration 138: trace = 2.654005327795167 (0.000481189% change) + iteration 138: trace = 2.654005336701418 (0.000481104% change) linmin: converged after 3 iterations. - iteration 139: trace = 2.653997021399157 (0.000312976% change) + iteration 139: trace = 2.653997027503054 (0.000313082% change) resetting CG direction... linmin: converged after 3 iterations. - iteration 140: trace = 2.653995080608912 (7.31271e-05% change) - linmin: converged after 2 iterations. - iteration 141: trace = 2.653992464817057 (9.85606e-05% change) - linmin: converged after 3 iterations. - iteration 142: trace = 2.65399014967916 (8.72323e-05% change) + iteration 140: trace = 2.653995086640572 (7.31298e-05% change) + linmin: converged after 4 iterations. + iteration 141: trace = 2.653992470978583 (9.85557e-05% change) + linmin: converged after 5 iterations. + iteration 142: trace = 2.653990154330067 (8.72892e-05% change) linmin: converged after 4 iterations. - iteration 143: trace = 2.653988580944425 (5.91086e-05% change) + iteration 143: trace = 2.653988586735232 (5.90656e-05% change) linmin: converged after 3 iterations. - iteration 144: trace = 2.653985739809346 (0.000107052% change) + iteration 144: trace = 2.653985745879202 (0.000107041% change) linmin: converged after 3 iterations. - iteration 145: trace = 2.653984641152611 (4.13965e-05% change) + iteration 145: trace = 2.653984647457038 (4.13877e-05% change) linmin: converged after 4 iterations. - iteration 146: trace = 2.653982736506997 (7.17655e-05% change) - linmin: converged after 7 iterations. - iteration 147: trace = 2.653979596551558 (0.000118311% change) + iteration 146: trace = 2.653982742088654 (7.17928e-05% change) + linmin: converged after 9 iterations. + iteration 147: trace = 2.653979601877943 (0.000118321% change) linmin: converged after 4 iterations. - iteration 148: trace = 2.653979052575707 (2.04966e-05% change) - large trace change predicted (9.46882e-05%) - linmin: converged after 3 iterations. - iteration 149: trace = 2.653976539466266 (9.46922e-05% change) - linmin: converged after 3 iterations. - iteration 150: trace = 2.653975151881646 (5.22832e-05% change) - linmin: converged after 5 iterations. - iteration 151: trace = 2.653973691954598 (5.50091e-05% change) - large trace change predicted (0.000111661%) + iteration 148: trace = 2.653979057902014 (2.04966e-05% change) + large trace change predicted (9.46719e-05%) linmin: converged after 3 iterations. - iteration 152: trace = 2.653970728523313 (0.00011166% change) + iteration 149: trace = 2.653976545224374 (9.46759e-05% change) + linmin: converged after 4 iterations. + iteration 150: trace = 2.653975156686131 (5.23192e-05% change) + linmin: converged after 4 iterations. + iteration 151: trace = 2.653973697313347 (5.49882e-05% change) + large trace change predicted (0.000111656%) + linmin: converged after 7 iterations. + iteration 152: trace = 2.653970734015179 (0.000111655% change) linmin: converged after 3 iterations. - iteration 153: trace = 2.653968438090717 (8.63021e-05% change) + iteration 153: trace = 2.653968440984534 (8.64e-05% change) linmin: converged after 2 iterations. - iteration 154: trace = 2.653966784561564 (6.2304e-05% change) - large trace change predicted (0.000206075%) + iteration 154: trace = 2.653966789409898 (6.22304e-05% change) + large trace change predicted (0.000206085%) linmin: converged after 5 iterations. - iteration 155: trace = 2.653961315079321 (0.000206087% change) + iteration 155: trace = 2.653961319663021 (0.000206097% change) linmin: converged after 3 iterations. - iteration 156: trace = 2.653959584120117 (6.52217e-05% change) - large trace change predicted (0.000249312%) + iteration 156: trace = 2.653959584613431 (6.53759e-05% change) + large trace change predicted (0.00024912%) linmin: converged after 3 iterations. - iteration 157: trace = 2.65395296754646 (0.00024931% change) + iteration 157: trace = 2.653952973147679 (0.000249117% change) linmin: converged after 4 iterations. - iteration 158: trace = 2.653947560836003 (0.000203723% change) - linmin: converged after 3 iterations. - iteration 159: trace = 2.653944309648854 (0.000122504% change) - large trace change predicted (0.000321213%) + iteration 158: trace = 2.653947559187757 (0.000203996% change) + linmin: converged after 4 iterations. + iteration 159: trace = 2.653944314211265 (0.00012227% change) + large trace change predicted (0.000321199%) linmin: converged after 4 iterations. - iteration 160: trace = 2.65393578269613 (0.000321294% change) + iteration 160: trace = 2.653935787637818 (0.00032128% change) linmin: converged after 4 iterations. - iteration 161: trace = 2.653926965929053 (0.000332215% change) + iteration 161: trace = 2.653926978262692 (0.000331937% change) linmin: converged after 4 iterations. - iteration 162: trace = 2.653925360915887 (6.04769e-05% change) - large trace change predicted (0.000210665%) + iteration 162: trace = 2.653925365397934 (6.07728e-05% change) + large trace change predicted (0.000210706%) linmin: converged after 4 iterations. - iteration 163: trace = 2.653919769468554 (0.000210686% change) + iteration 163: trace = 2.653919772845527 (0.000210728% change) linmin: converged after 3 iterations. - iteration 164: trace = 2.653917949358118 (6.8582e-05% change) - linmin: converged after 8 iterations. - iteration 165: trace = 2.653915873877871 (7.82044e-05% change) + iteration 164: trace = 2.653917954533069 (6.85142e-05% change) linmin: converged after 3 iterations. - iteration 166: trace = 2.653913454543818 (9.1161e-05% change) + iteration 165: trace = 2.653915876513278 (7.83001e-05% change) linmin: converged after 3 iterations. - iteration 167: trace = 2.653912730379727 (2.72867e-05% change) - large trace change predicted (0.00010043%) + iteration 166: trace = 2.653913456443284 (9.11887e-05% change) + linmin: converged after 10 iterations. + iteration 167: trace = 2.653912730270886 (2.73623e-05% change) + large trace change predicted (0.000100348%) linmin: converged after 5 iterations. - iteration 168: trace = 2.653910064827467 (0.000100439% change) - linmin: converged after 4 iterations. - iteration 169: trace = 2.653908234667604 (6.89609e-05% change) + iteration 168: trace = 2.653910066917934 (0.000100356% change) linmin: converged after 3 iterations. - iteration 170: trace = 2.653907652618004 (2.19318e-05% change) - large trace change predicted (7.38625e-05%) + iteration 169: trace = 2.65390823357107 (6.9081e-05% change) linmin: converged after 3 iterations. - iteration 171: trace = 2.653905692644661 (7.38524e-05% change) + iteration 170: trace = 2.653907652800091 (2.18836e-05% change) + large trace change predicted (7.37962e-05%) linmin: converged after 4 iterations. - iteration 172: trace = 2.653904098895143 (6.0053e-05% change) + iteration 171: trace = 2.653905694588067 (7.3786e-05% change) linmin: converged after 3 iterations. - iteration 173: trace = 2.653903597632391 (1.88878e-05% change) - large trace change predicted (6.97881e-05%) - linmin: converged after 5 iterations. - iteration 174: trace = 2.653901745726903 (6.97805e-05% change) + iteration 172: trace = 2.653904101965234 (6.00105e-05% change) linmin: converged after 3 iterations. - iteration 175: trace = 2.653900307126863 (5.4207e-05% change) - linmin: converged after 4 iterations. - iteration 176: trace = 2.653899658444773 (2.44426e-05% change) - large trace change predicted (8.21584e-05%) + iteration 173: trace = 2.653903601555706 (1.88556e-05% change) + large trace change predicted (6.98696e-05%) + linmin: converged after 7 iterations. + iteration 174: trace = 2.653901747490304 (6.98618e-05% change) linmin: converged after 3 iterations. - iteration 177: trace = 2.653897478275626 (8.21497e-05% change) + iteration 175: trace = 2.653900319371036 (5.38121e-05% change) linmin: converged after 4 iterations. - iteration 178: trace = 2.653894782819264 (0.000101566% change) - linmin: converged after 31 iterations. - iteration 179: trace = 2.653893723787848 (3.99048e-05% change) - large trace change predicted (0.000173279%) - linmin: converged after 5 iterations. - iteration 180: trace = 2.653889125017648 (0.000173284% change) + iteration 176: trace = 2.653899661755868 (2.47792e-05% change) + large trace change predicted (8.22145e-05%) + linmin: converged after 3 iterations. + iteration 177: trace = 2.653897480095522 (8.22059e-05% change) linmin: converged after 3 iterations. - iteration 181: trace = 2.653888300310475 (3.10754e-05% change) - large trace change predicted (9.92876e-05%) + iteration 178: trace = 2.653894792482416 (0.00010127% change) + linmin: converged after 17 iterations. + iteration 179: trace = 2.653893725372892 (4.02092e-05% change) + large trace change predicted (0.000173126%) linmin: converged after 4 iterations. - iteration 182: trace = 2.653885665113354 (9.92958e-05% change) + iteration 180: trace = 2.653889130668769 (0.000173131% change) linmin: converged after 3 iterations. - iteration 183: trace = 2.653883597375262 (7.79136e-05% change) + iteration 181: trace = 2.653888303996597 (3.11495e-05% change) + large trace change predicted (9.93728e-05%) + linmin: converged after 4 iterations. + iteration 182: trace = 2.653885666541998 (9.93808e-05% change) + linmin: converged after 4 iterations. + iteration 183: trace = 2.653883600543397 (7.78481e-05% change) linmin: converged after 3 iterations. - iteration 184: trace = 2.653882449471755 (4.32537e-05% change) + iteration 184: trace = 2.653882450647809 (4.33288e-05% change) linmin: converged after 3 iterations. - iteration 185: trace = 2.653880512402468 (7.299e-05% change) + iteration 185: trace = 2.653880513352216 (7.29986e-05% change) linmin: converged after 3 iterations. - iteration 186: trace = 2.653880029345772 (1.82019e-05% change) + iteration 186: trace = 2.653880033956371 (1.8064e-05% change) linmin: converged after 4 iterations. - iteration 187: trace = 2.653879271442776 (2.85583e-05% change) + iteration 187: trace = 2.653879272338957 (2.86983e-05% change) linmin: converged after 2 iterations. - iteration 188: trace = 2.653878601734299 (2.52351e-05% change) - linmin: converged after 4 iterations. - iteration 189: trace = 2.6538784001655 (7.59525e-06% change) - large trace change predicted (1.88307e-05%) + iteration 188: trace = 2.653878602631434 (2.5235e-05% change) linmin: converged after 3 iterations. - iteration 190: trace = 2.653877900427086 (1.88305e-05% change) - linmin: converged after 4 iterations. - iteration 191: trace = 2.653877421558993 (1.80441e-05% change) - linmin: converged after 2 iterations. - iteration 192: trace = 2.65387730987687 (4.20826e-06% change) - large trace change predicted (1.21109e-05%) + iteration 189: trace = 2.65387840264891 (7.53548e-06% change) + large trace change predicted (1.88993e-05%) + linmin: converged after 19 iterations. + iteration 190: trace = 2.653877901089155 (1.88991e-05% change) linmin: converged after 3 iterations. - iteration 193: trace = 2.653876988472429 (1.21108e-05% change) + iteration 191: trace = 2.65387742183644 (1.80586e-05% change) linmin: converged after 4 iterations. - iteration 194: trace = 2.653876701439056 (1.08156e-05% change) + iteration 192: trace = 2.653877310422756 (4.19815e-06% change) + large trace change predicted (1.21077e-05%) linmin: converged after 3 iterations. - iteration 195: trace = 2.653876503410812 (7.46185e-06% change) - large trace change predicted (1.82642e-05%) - linmin: converged after 5 iterations. - iteration 196: trace = 2.653876018717266 (1.82636e-05% change) - linmin: converged after 11 iterations. - iteration 197: trace = 2.653875743899023 (1.03554e-05% change) - large trace change predicted (2.57543e-05%) - linmin: converged after 4 iterations. - iteration 198: trace = 2.653875060450527 (2.57528e-05% change) + iteration 193: trace = 2.653876989101717 (1.21076e-05% change) linmin: converged after 3 iterations. - iteration 199: trace = 2.653874147184598 (3.44126e-05% change) + iteration 194: trace = 2.653876699353928 (1.09179e-05% change) linmin: converged after 3 iterations. - iteration 200: trace = 2.653873614591419 (2.00685e-05% change) - linmin: converged after 4 iterations. - iteration 201: trace = 2.6538729333311 (2.56704e-05% change) + iteration 195: trace = 2.653876503910571 (7.36445e-06% change) + large trace change predicted (1.82623e-05%) linmin: converged after 3 iterations. - iteration 202: trace = 2.653871895566034 (3.91038e-05% change) - linmin: converged after 15 iterations. - iteration 203: trace = 2.65387155607623 (1.27922e-05% change) - large trace change predicted (3.29723e-05%) + iteration 196: trace = 2.65387601926756 (1.82617e-05% change) linmin: converged after 3 iterations. - iteration 204: trace = 2.653870680971224 (3.29747e-05% change) - linmin: converged after 21 iterations. - iteration 205: trace = 2.653870122826004 (2.10314e-05% change) + iteration 197: trace = 2.653875745278131 (1.03241e-05% change) + large trace change predicted (2.57939e-05%) + linmin: converged after 4 iterations. + iteration 198: trace = 2.653875060779028 (2.57924e-05% change) + linmin: converged after 5 iterations. + iteration 199: trace = 2.653874146894921 (3.44358e-05% change) linmin: converged after 5 iterations. - iteration 206: trace = 2.653869969560776 (5.77516e-06% change) - large trace change predicted (1.29054e-05%) + iteration 200: trace = 2.65387361421204 (2.00719e-05% change) + linmin: converged after 12 iterations. + iteration 201: trace = 2.653872931845404 (2.57121e-05% change) + linmin: converged after 3 iterations. + iteration 202: trace = 2.653871895232284 (3.90604e-05% change) + linmin: converged after 18 iterations. + iteration 203: trace = 2.653871550785498 (1.2979e-05% change) + large trace change predicted (3.27896e-05%) linmin: converged after 3 iterations. - iteration 207: trace = 2.653869627068521 (1.29054e-05% change) + iteration 204: trace = 2.653870680529325 (3.2792e-05% change) linmin: converged after 4 iterations. - iteration 208: trace = 2.653869358862778 (1.01062e-05% change) - linmin: converged after 5 iterations. - iteration 209: trace = 2.653869078066302 (1.05806e-05% change) - resetting CG direction... - linmin: converged after 2 iterations. - iteration 210: trace = 2.653868925079117 (5.76468e-06% change) - linmin: converged after 10 iterations. - iteration 211: trace = 2.65386885402022 (2.67756e-06% change) + iteration 205: trace = 2.653870120981896 (2.10842e-05% change) linmin: converged after 2 iterations. - iteration 212: trace = 2.653868738796709 (4.34172e-06% change) + iteration 206: trace = 2.653869966609921 (5.81686e-06% change) + large trace change predicted (1.32508e-05%) + linmin: converged after 3 iterations. + iteration 207: trace = 2.6538696149514 (1.32508e-05% change) linmin: converged after 4 iterations. - iteration 213: trace = 2.653868657394825 (3.06729e-06% change) - large trace change predicted (6.76972e-06%) - linmin: converged after 2 iterations. - iteration 214: trace = 2.653868477723293 (6.77017e-06% change) - linmin: converged after 2 iterations. - iteration 215: trace = 2.653868237619988 (9.0473e-06% change) - linmin: converged after 6 iterations. - iteration 216: trace = 2.653868167286306 (2.65023e-06% change) - large trace change predicted (1.06308e-05%) + iteration 208: trace = 2.6538693598492 (9.61246e-06% change) + linmin: converged after 3 iterations. + iteration 209: trace = 2.653869077427088 (1.06419e-05% change) + resetting CG direction... + linmin: converged after 3 iterations. + iteration 210: trace = 2.653868924126467 (5.7765e-06% change) + linmin: converged after 14 iterations. + iteration 211: trace = 2.65386885543505 (2.58835e-06% change) + linmin: converged after 34 iterations. + iteration 212: trace = 2.653868739811082 (4.35681e-06% change) linmin: converged after 3 iterations. - iteration 217: trace = 2.653867885147639 (1.06312e-05% change) + iteration 213: trace = 2.653868656317304 (3.14612e-06% change) + large trace change predicted (6.75542e-06%) linmin: converged after 4 iterations. - iteration 218: trace = 2.653867608071129 (1.04405e-05% change) + iteration 214: trace = 2.653868477025441 (6.75587e-06% change) linmin: converged after 3 iterations. - iteration 219: trace = 2.65386744165509 (6.2707e-06% change) - large trace change predicted (1.45434e-05%) + iteration 215: trace = 2.653868235686073 (9.09387e-06% change) linmin: converged after 2 iterations. - iteration 220: trace = 2.653867055690426 (1.45435e-05% change) + iteration 216: trace = 2.653868164903958 (2.66713e-06% change) + large trace change predicted (1.09768e-05%) linmin: converged after 3 iterations. - iteration 221: trace = 2.653866913835114 (5.34523e-06% change) + iteration 217: trace = 2.653867873584407 (1.09772e-05% change) + linmin: converged after 4 iterations. + iteration 218: trace = 2.65386760495961 (1.0122e-05% change) + linmin: converged after 4 iterations. + iteration 219: trace = 2.653867436723212 (6.33929e-06% change) + large trace change predicted (1.44447e-05%) linmin: converged after 2 iterations. - iteration 222: trace = 2.653866652758798 (9.83758e-06% change) + iteration 220: trace = 2.653867053377393 (1.44448e-05% change) + linmin: converged after 3 iterations. + iteration 221: trace = 2.653866903119939 (5.66183e-06% change) linmin: converged after 2 iterations. - iteration 223: trace = 2.653866355935795 (1.11845e-05% change) + iteration 222: trace = 2.653866647429703 (9.63463e-06% change) linmin: converged after 2 iterations. - iteration 224: trace = 2.653866272878552 (3.12967e-06% change) - large trace change predicted (6.68331e-06%) - linmin: converged after 3 iterations. - iteration 225: trace = 2.653866095517378 (6.68312e-06% change) - linmin: converged after 4 iterations. - iteration 226: trace = 2.653865950140019 (5.47795e-06% change) + iteration 223: trace = 2.653866349221051 (1.12368e-05% change) linmin: converged after 2 iterations. - iteration 227: trace = 2.653865910912876 (1.47811e-06% change) - large trace change predicted (5.24753e-06%) + iteration 224: trace = 2.653866268825527 (3.02937e-06% change) + large trace change predicted (6.66662e-06%) linmin: converged after 4 iterations. - iteration 228: trace = 2.6538657716561 (5.24732e-06% change) + iteration 225: trace = 2.653866091907473 (6.66643e-06% change) linmin: converged after 3 iterations. - iteration 229: trace = 2.653865715078113 (2.13191e-06% change) + iteration 226: trace = 2.653865949149446 (5.37925e-06% change) + linmin: converged after 30 iterations. + iteration 227: trace = 2.653865909392961 (1.49806e-06% change) + large trace change predicted (5.21754e-06%) + linmin: converged after 21 iterations. + iteration 228: trace = 2.653865770931697 (5.21734e-06% change) linmin: converged after 4 iterations. - iteration 230: trace = 2.653865636506092 (2.96066e-06% change) - linmin: converged after 28 iterations. - iteration 231: trace = 2.653865564265992 (2.72207e-06% change) + iteration 229: trace = 2.653865715910754 (2.07324e-06% change) linmin: converged after 3 iterations. - iteration 232: trace = 2.653865464245028 (3.76888e-06% change) + iteration 230: trace = 2.653865636188013 (3.00402e-06% change) linmin: converged after 3 iterations. - iteration 233: trace = 2.653865437462328 (1.0092e-06% change) - large trace change predicted (5.0147e-06%) + iteration 231: trace = 2.653865565569731 (2.66096e-06% change) linmin: converged after 3 iterations. - iteration 234: trace = 2.653865304386845 (5.0144e-06% change) + iteration 232: trace = 2.653865528982262 (1.37865e-06% change) + large trace change predicted (3.06948e-06%) linmin: converged after 4 iterations. - iteration 235: trace = 2.65386519536098 (4.10819e-06% change) - linmin: converged after 2 iterations. - iteration 236: trace = 2.653865111140421 (3.17351e-06% change) - large trace change predicted (8.85399e-06%) - linmin: converged after 5 iterations. - iteration 237: trace = 2.653864876182085 (8.85344e-06% change) - linmin: converged after 5 iterations. - iteration 238: trace = 2.653864810780303 (2.4644e-06% change) - large trace change predicted (1.39121e-05%) + iteration 233: trace = 2.653865447527662 (3.06928e-06% change) + linmin: converged after 3 iterations. + iteration 234: trace = 2.653865305143463 (5.36516e-06% change) + linmin: converged after 3 iterations. + iteration 235: trace = 2.65386525134425 (2.0272e-06% change) + large trace change predicted (5.38646e-06%) + linmin: converged after 3 iterations. + iteration 236: trace = 2.653865108395262 (5.38644e-06% change) linmin: converged after 3 iterations. - iteration 239: trace = 2.65386444158312 (1.39117e-05% change) + iteration 237: trace = 2.65386488029348 (8.59508e-06% change) + linmin: converged after 4 iterations. + iteration 238: trace = 2.65386481920171 (2.30199e-06% change) + large trace change predicted (1.42617e-05%) + linmin: converged after 3 iterations. + iteration 239: trace = 2.653864440723281 (1.42614e-05% change) linmin: converged after 2 iterations. - iteration 240: trace = 2.653864092884526 (1.31393e-05% change) + iteration 240: trace = 2.653864152290413 (1.08684e-05% change) linmin: converged after 3 iterations. - iteration 241: trace = 2.653863976297839 (4.39309e-06% change) + iteration 241: trace = 2.653864018953649 (5.02425e-06% change) linmin: converged after 2 iterations. - iteration 242: trace = 2.653863767119183 (7.88204e-06% change) + iteration 242: trace = 2.653863768732475 (9.42856e-06% change) linmin: converged after 2 iterations. - iteration 243: trace = 2.653863499038534 (1.01015e-05% change) + iteration 243: trace = 2.653863543583159 (8.48383e-06% change) linmin: converged after 2 iterations. - iteration 244: trace = 2.65386341956879 (2.99449e-06% change) - large trace change predicted (8.43221e-06%) + iteration 244: trace = 2.653863421343415 (4.60611e-06% change) + linmin: converged after 3 iterations. + iteration 245: trace = 2.65386319526208 (8.51895e-06% change) linmin: converged after 2 iterations. - iteration 245: trace = 2.653863195775577 (8.43273e-06% change) + iteration 246: trace = 2.653863107857826 (3.29347e-06% change) + linmin: converged after 21 iterations. + iteration 247: trace = 2.65386297457783 (5.02211e-06% change) linmin: converged after 2 iterations. - iteration 246: trace = 2.653863002305884 (7.29012e-06% change) - linmin: converged after 3 iterations. - iteration 247: trace = 2.653862939461485 (2.36803e-06% change) + iteration 248: trace = 2.653862836654399 (5.19708e-06% change) + linmin: converged after 4 iterations. + iteration 249: trace = 2.653862791243506 (1.71112e-06% change) + linmin: converged after 5 iterations. + iteration 250: trace = 2.653862735578602 (2.0975e-06% change) linmin: converged after 7 iterations. - iteration 248: trace = 2.653862838047807 (3.82136e-06% change) - linmin: converged after 2 iterations. - iteration 249: trace = 2.653862750547567 (3.29709e-06% change) - linmin: converged after 9 iterations. - iteration 250: trace = 2.653862731551472 (7.1579e-07% change) - large trace change predicted (2.498e-06%) - linmin: converged after 3 iterations. - iteration 251: trace = 2.653862665259322 (2.49795e-06% change) - linmin: converged after 3 iterations. - iteration 252: trace = 2.653862631829987 (1.25965e-06% change) - linmin: converged after 3 iterations. - iteration 253: trace = 2.653862598619071 (1.25142e-06% change) + iteration 251: trace = 2.653862664890208 (2.6636e-06% change) linmin: converged after 4 iterations. - iteration 254: trace = 2.653862553637281 (1.69496e-06% change) + iteration 252: trace = 2.653862630479797 (1.29662e-06% change) linmin: converged after 3 iterations. - iteration 255: trace = 2.653862499020986 (2.05799e-06% change) - linmin: converged after 2 iterations. - iteration 256: trace = 2.653862476489225 (8.49018e-07% change) - large trace change predicted (3.93247e-06%) - linmin: converged after 5 iterations. - iteration 257: trace = 2.653862372131893 (3.93228e-06% change) - linmin: converged after 24 iterations. - iteration 258: trace = 2.653862348759161 (8.80706e-07% change) - large trace change predicted (4.30763e-06%) + iteration 253: trace = 2.653862597609591 (1.23858e-06% change) linmin: converged after 3 iterations. - iteration 259: trace = 2.65386223444527 (4.30745e-06% change) + iteration 254: trace = 2.653862554488467 (1.62484e-06% change) + linmin: converged after 10 iterations. + iteration 255: trace = 2.653862537819725 (6.28094e-07% change) + large trace change predicted (2.29303e-06%) + linmin: converged after 6 iterations. + iteration 256: trace = 2.653862476968305 (2.29294e-06% change) linmin: converged after 3 iterations. - iteration 260: trace = 2.653862135935652 (3.71193e-06% change) + iteration 257: trace = 2.653862377572521 (3.74533e-06% change) + linmin: converged after 6 iterations. + iteration 258: trace = 2.653862351673341 (9.75905e-07% change) + large trace change predicted (4.47833e-06%) linmin: converged after 3 iterations. - iteration 261: trace = 2.653862104064693 (1.20093e-06% change) - large trace change predicted (3.53299e-06%) + iteration 259: trace = 2.653862232831329 (4.47808e-06% change) + linmin: converged after 5 iterations. + iteration 260: trace = 2.65386219452245 (1.44351e-06% change) + large trace change predicted (2.94489e-06%) + linmin: converged after 8 iterations. + iteration 261: trace = 2.653862116372152 (2.94478e-06% change) + linmin: converged after 6 iterations. + iteration 262: trace = 2.653862009704945 (4.01932e-06% change) linmin: converged after 2 iterations. - iteration 262: trace = 2.65386201030362 (3.533e-06% change) - linmin: converged after 3 iterations. - iteration 263: trace = 2.653861927898538 (3.1051e-06% change) + iteration 263: trace = 2.653861975757658 (1.27917e-06% change) + large trace change predicted (3.10327e-06%) linmin: converged after 2 iterations. - iteration 264: trace = 2.653861896369311 (1.18805e-06% change) - linmin: converged after 4 iterations. - iteration 265: trace = 2.653861837885878 (2.20371e-06% change) + iteration 264: trace = 2.653861893399524 (3.10333e-06% change) linmin: converged after 2 iterations. - iteration 266: trace = 2.653861792896794 (1.69523e-06% change) - linmin: converged after 3 iterations. - iteration 267: trace = 2.653861759420286 (1.26143e-06% change) + iteration 265: trace = 2.653861835515603 (2.18112e-06% change) linmin: converged after 2 iterations. - iteration 268: trace = 2.653861720311059 (1.47367e-06% change) - linmin: converged after 4 iterations. - iteration 269: trace = 2.653861710725057 (3.6121e-07% change) - large trace change predicted (9.52169e-07%) + iteration 266: trace = 2.653861813628592 (8.24723e-07% change) + large trace change predicted (2.07404e-06%) linmin: converged after 2 iterations. - iteration 270: trace = 2.65386168545558 (9.52178e-07% change) - linmin: converged after 5 iterations. - iteration 271: trace = 2.653861666931449 (6.98007e-07% change) - linmin: converged after 6 iterations. - iteration 272: trace = 2.653861660748593 (2.32976e-07% change) + iteration 267: trace = 2.653861758585823 (2.07406e-06% change) + linmin: converged after 2 iterations. + iteration 268: trace = 2.653861732025478 (1.00082e-06% change) + linmin: converged after 2 iterations. + iteration 269: trace = 2.653861712734625 (7.26897e-07% change) + linmin: converged after 7 iterations. + iteration 270: trace = 2.653861684696448 (1.0565e-06% change) linmin: converged after 4 iterations. - iteration 273: trace = 2.653861650914114 (3.70572e-07% change) + iteration 271: trace = 2.653861669580205 (5.69594e-07% change) + linmin: converged after 3 iterations. + iteration 272: trace = 2.65386166332557 (2.35681e-07% change) + large trace change predicted (4.73317e-07%) linmin: converged after 2 iterations. - iteration 274: trace = 2.653861639321258 (4.3683e-07% change) + iteration 273: trace = 2.653861650764338 (4.73319e-07% change) + linmin: converged after 18 iterations. + iteration 274: trace = 2.653861646468266 (1.6188e-07% change) + large trace change predicted (3.56979e-07%) linmin: converged after 4 iterations. - iteration 275: trace = 2.653861636727051 (9.77522e-08% change) - large trace change predicted (5.0528e-07%) + iteration 275: trace = 2.653861636994569 (3.56978e-07% change) linmin: converged after 2 iterations. - iteration 276: trace = 2.653861623317571 (5.05282e-07% change) + iteration 276: trace = 2.653861624159485 (4.83638e-07% change) linmin: converged after 3 iterations. - iteration 277: trace = 2.653861615551344 (2.92639e-07% change) - linmin: converged after 3 iterations. - iteration 278: trace = 2.653861610178305 (2.02461e-07% change) - large trace change predicted (1.72368e-06%) + iteration 277: trace = 2.653861619972083 (1.57785e-07% change) + large trace change predicted (3.81434e-07%) + linmin: converged after 15 iterations. + iteration 278: trace = 2.653861609849261 (3.81437e-07% change) + large trace change predicted (1.66151e-06%) linmin: converged after 5 iterations. - iteration 279: trace = 2.653861564434906 (1.72365e-06% change) + iteration 279: trace = 2.653861565755931 (1.66148e-06% change) resetting CG direction... - linmin: converged after 20 iterations. - iteration 280: trace = 2.653861550375273 (5.2978e-07% change) - linmin: converged after 18 iterations. - iteration 281: trace = 2.653861533159478 (6.48707e-07% change) - linmin: converged after 10 iterations. - iteration 282: trace = 2.653861521115103 (4.53843e-07% change) - linmin: converged after 5 iterations. - iteration 283: trace = 2.653861516953647 (1.56808e-07% change) - large trace change predicted (3.19547e-07%) - linmin: converged after 2 iterations. - iteration 284: trace = 2.653861508473216 (3.19551e-07% change) - linmin: converged after 4 iterations. - iteration 285: trace = 2.653861501935062 (2.46364e-07% change) - linmin: converged after 2 iterations. - iteration 286: trace = 2.65386149731999 (1.739e-07% change) - large trace change predicted (3.9222e-07%) linmin: converged after 3 iterations. - iteration 287: trace = 2.653861486911017 (3.9222e-07% change) - linmin: converged after 12 iterations. - iteration 288: trace = 2.653861481122196 (2.18128e-07% change) + iteration 280: trace = 2.653861557585351 (3.07875e-07% change) + large trace change predicted (8.65645e-07%) linmin: converged after 2 iterations. - iteration 289: trace = 2.653861475156671 (2.24787e-07% change) - large trace change predicted (5.66199e-07%) + iteration 281: trace = 2.653861534612246 (8.65648e-07% change) linmin: converged after 3 iterations. - iteration 290: trace = 2.653861460130549 (5.66198e-07% change) + iteration 282: trace = 2.653861525008301 (3.61886e-07% change) + linmin: converged after 6 iterations. + iteration 283: trace = 2.653861520086366 (1.85463e-07% change) + linmin: converged after 10 iterations. + iteration 284: trace = 2.653861510343049 (3.67137e-07% change) linmin: converged after 4 iterations. - iteration 291: trace = 2.653861454278267 (2.20519e-07% change) - large trace change predicted (6.21929e-07%) - linmin: converged after 24 iterations. - iteration 292: trace = 2.653861437772868 (6.21939e-07% change) + iteration 285: trace = 2.653861505699531 (1.74972e-07% change) linmin: converged after 3 iterations. - iteration 293: trace = 2.653861418071272 (7.42375e-07% change) + iteration 286: trace = 2.653861499167573 (2.4613e-07% change) + linmin: converged after 8 iterations. + iteration 287: trace = 2.653861489501042 (3.64244e-07% change) + linmin: converged after 20 iterations. + iteration 288: trace = 2.653861486627139 (1.08291e-07% change) + large trace change predicted (3.69315e-07%) + linmin: converged after 8 iterations. + iteration 289: trace = 2.65386147682611 (3.69312e-07% change) + linmin: converged after 13 iterations. + iteration 290: trace = 2.653861464215806 (4.75168e-07% change) + linmin: converged after 8 iterations. + iteration 291: trace = 2.653861458393712 (2.19382e-07% change) + large trace change predicted (7.37325e-07%) linmin: converged after 2 iterations. - iteration 294: trace = 2.653861409006131 (3.41583e-07% change) - large trace change predicted (9.24339e-07%) - linmin: converged after 3 iterations. - iteration 295: trace = 2.653861384475761 (9.24327e-07% change) - linmin: converged after 3 iterations. - iteration 296: trace = 2.653861360407902 (9.069e-07% change) + iteration 292: trace = 2.653861438826044 (7.37328e-07% change) + linmin: converged after 21 iterations. + iteration 293: trace = 2.653861428462817 (3.90496e-07% change) + linmin: converged after 2 iterations. + iteration 294: trace = 2.653861410075711 (6.92843e-07% change) linmin: converged after 4 iterations. - iteration 297: trace = 2.653861352155527 (3.10957e-07% change) - large trace change predicted (1.24076e-06%) - linmin: converged after 3 iterations. - iteration 298: trace = 2.653861319227775 (1.24075e-06% change) - linmin: converged after 13 iterations. - iteration 299: trace = 2.65386130224904 (6.39775e-07% change) + iteration 295: trace = 2.653861385658084 (9.20079e-07% change) + linmin: converged after 23 iterations. + iteration 296: trace = 2.653861374545024 (4.18751e-07% change) linmin: converged after 3 iterations. - iteration 300: trace = 2.653861282671801 (7.37689e-07% change) - linmin: converged after 5 iterations. - iteration 301: trace = 2.653861260636838 (8.30298e-07% change) - linmin: converged after 11 iterations. - iteration 302: trace = 2.653861251811262 (3.32556e-07% change) - linmin: converged after 5 iterations. - iteration 303: trace = 2.653861234499165 (6.52336e-07% change) + iteration 297: trace = 2.653861353558254 (7.90801e-07% change) + linmin: converged after 6 iterations. + iteration 298: trace = 2.653861319330947 (1.28972e-06% change) + linmin: converged after 4 iterations. + iteration 299: trace = 2.65386131191338 (2.79501e-07% change) + large trace change predicted (1.10798e-06%) linmin: converged after 5 iterations. - iteration 304: trace = 2.65386122012131 (5.41771e-07% change) + iteration 300: trace = 2.653861282508642 (1.108e-06% change) + linmin: converged after 2 iterations. + iteration 301: trace = 2.653861261551708 (7.89677e-07% change) linmin: converged after 3 iterations. - iteration 305: trace = 2.653861216396757 (1.40345e-07% change) - large trace change predicted (3.07863e-07%) - linmin: converged after 4 iterations. - iteration 306: trace = 2.653861208226429 (3.07866e-07% change) + iteration 302: trace = 2.653861255056992 (2.44727e-07% change) + large trace change predicted (7.5817e-07%) + linmin: converged after 8 iterations. + iteration 303: trace = 2.653861234935799 (7.58186e-07% change) + linmin: converged after 6 iterations. + iteration 304: trace = 2.653861223743974 (4.21719e-07% change) linmin: converged after 4 iterations. - iteration 307: trace = 2.653861199165063 (3.41441e-07% change) + iteration 305: trace = 2.653861217562508 (2.32923e-07% change) + linmin: converged after 10 iterations. + iteration 306: trace = 2.653861209415793 (3.06976e-07% change) linmin: converged after 3 iterations. - iteration 308: trace = 2.653861197442059 (6.49244e-08% change) - large trace change predicted (3.45227e-07%) - linmin: converged after 2 iterations. - iteration 309: trace = 2.653861188280197 (3.45228e-07% change) - linmin: converged after 2 iterations. - iteration 310: trace = 2.653861179736291 (3.21942e-07% change) + iteration 307: trace = 2.653861204327526 (1.91731e-07% change) linmin: converged after 4 iterations. - iteration 311: trace = 2.653861173933652 (2.18649e-07% change) - linmin: converged after 3 iterations. - iteration 312: trace = 2.653861168434974 (2.07195e-07% change) - large trace change predicted (4.92209e-07%) + iteration 308: trace = 2.653861198609994 (2.15442e-07% change) linmin: converged after 4 iterations. - iteration 313: trace = 2.653861155372515 (4.92206e-07% change) + iteration 309: trace = 2.65386118886909 (3.67046e-07% change) linmin: converged after 4 iterations. - iteration 314: trace = 2.653861150083162 (1.99308e-07% change) - large trace change predicted (4.55581e-07%) - linmin: converged after 8 iterations. - iteration 315: trace = 2.653861137992869 (4.55574e-07% change) - linmin: converged after 11 iterations. - iteration 316: trace = 2.653861122355589 (5.89228e-07% change) - linmin: converged after 18 iterations. - iteration 317: trace = 2.653861117798604 (1.71712e-07% change) - large trace change predicted (4.97835e-07%) - linmin: converged after 10 iterations. - iteration 318: trace = 2.653861104586823 (4.97832e-07% change) - linmin: converged after 2 iterations. - iteration 319: trace = 2.653861092670461 (4.4902e-07% change) - linmin: converged after 3 iterations. - iteration 320: trace = 2.653861087498114 (1.94899e-07% change) - large trace change predicted (6.37322e-07%) + iteration 310: trace = 2.653861181396112 (2.81589e-07% change) linmin: converged after 2 iterations. - iteration 321: trace = 2.653861070584414 (6.37324e-07% change) - linmin: converged after 3 iterations. - iteration 322: trace = 2.653861067551996 (1.14264e-07% change) - large trace change predicted (2.31387e-07%) + iteration 311: trace = 2.653861178131671 (1.23007e-07% change) + large trace change predicted (3.59525e-07%) linmin: converged after 4 iterations. - iteration 323: trace = 2.65386106141127 (2.31388e-07% change) + iteration 312: trace = 2.653861168590379 (3.59525e-07% change) + linmin: converged after 15 iterations. + iteration 313: trace = 2.653861157665756 (4.1165e-07% change) + linmin: converged after 19 iterations. + iteration 314: trace = 2.653861151885182 (2.17817e-07% change) + large trace change predicted (5.43915e-07%) + linmin: converged after 12 iterations. + iteration 315: trace = 2.6538611374506 (5.43909e-07% change) linmin: converged after 3 iterations. - iteration 324: trace = 2.653861056695451 (1.77697e-07% change) + iteration 316: trace = 2.653861128169948 (3.49704e-07% change) linmin: converged after 4 iterations. - iteration 325: trace = 2.65386105544654 (4.70601e-08% change) - large trace change predicted (1.198e-07%) - linmin: converged after 7 iterations. - iteration 326: trace = 2.653861052267201 (1.19801e-07% change) + iteration 317: trace = 2.653861118048777 (3.81375e-07% change) + linmin: converged after 4 iterations. + iteration 318: trace = 2.653861104069333 (5.26759e-07% change) + linmin: converged after 15 iterations. + iteration 319: trace = 2.653861098601916 (2.06017e-07% change) + large trace change predicted (4.29338e-07%) + linmin: converged after 2 iterations. + iteration 320: trace = 2.653861087207826 (4.2934e-07% change) + linmin: converged after 2 iterations. + iteration 321: trace = 2.653861071662127 (5.85777e-07% change) + linmin: converged after 12 iterations. + iteration 322: trace = 2.653861069334321 (8.77139e-08% change) + large trace change predicted (2.91148e-07%) linmin: converged after 8 iterations. - iteration 327: trace = 2.653861049784804 (9.35391e-08% change) - linmin: converged after 6 iterations. - iteration 328: trace = 2.653861048816704 (3.64789e-08% change) + iteration 323: trace = 2.653861061607632 (2.91149e-07% change) linmin: converged after 4 iterations. - iteration 329: trace = 2.653861047196903 (6.10356e-08% change) - linmin: converged after 25 iterations. - iteration 330: trace = 2.653861046134907 (4.0017e-08% change) - linmin: converged after 6 iterations. - iteration 331: trace = 2.653861044752584 (5.20872e-08% change) - linmin: converged after 3 iterations. - iteration 332: trace = 2.653861042721359 (7.65385e-08% change) - linmin: converged after 30 iterations. - iteration 333: trace = 2.653861042116108 (2.28064e-08% change) - large trace change predicted (1.13853e-07%) + iteration 324: trace = 2.653861059806187 (6.78802e-08% change) + large trace change predicted (1.47149e-07%) linmin: converged after 2 iterations. - iteration 334: trace = 2.653861039094593 (1.13854e-07% change) - linmin: converged after 3 iterations. - iteration 335: trace = 2.653861036131572 (1.11649e-07% change) - linmin: converged after 27 iterations. - iteration 336: trace = 2.653861034242886 (7.11675e-08% change) + iteration 325: trace = 2.653861055901056 (1.47149e-07% change) linmin: converged after 4 iterations. - iteration 337: trace = 2.653861030716774 (1.32867e-07% change) - linmin: converged after 22 iterations. - iteration 338: trace = 2.653861026751165 (1.49428e-07% change) - linmin: converged after 3 iterations. - iteration 339: trace = 2.653861023211925 (1.33362e-07% change) - linmin: converged after 3 iterations. - iteration 340: trace = 2.653861021859958 (5.09434e-08% change) - large trace change predicted (1.35994e-07%) + iteration 326: trace = 2.653861052519503 (1.2742e-07% change) linmin: converged after 4 iterations. - iteration 341: trace = 2.653861018250889 (1.35993e-07% change) + iteration 327: trace = 2.653861049678951 (1.07035e-07% change) + linmin: converged after 2 iterations. + iteration 328: trace = 2.653861049082646 (2.24694e-08% change) + large trace change predicted (6.33174e-08%) linmin: converged after 4 iterations. - iteration 342: trace = 2.653861017185342 (4.01508e-08% change) - large trace change predicted (8.60729e-08%) - linmin: converged after 29 iterations. - iteration 343: trace = 2.653861014901093 (8.60727e-08% change) + iteration 329: trace = 2.653861047402285 (6.33176e-08% change) + linmin: converged after 6 iterations. + iteration 330: trace = 2.653861045657166 (6.57577e-08% change) linmin: converged after 4 iterations. - iteration 344: trace = 2.653861012009986 (1.0894e-07% change) - linmin: converged after 32 iterations. - iteration 345: trace = 2.653861011520676 (1.84377e-08% change) - large trace change predicted (7.53211e-08%) + iteration 331: trace = 2.653861045014661 (2.42102e-08% change) + large trace change predicted (8.30484e-08%) + linmin: converged after 2 iterations. + iteration 332: trace = 2.653861042810672 (8.30484e-08% change) + linmin: converged after 13 iterations. + iteration 333: trace = 2.653861042141131 (2.52289e-08% change) + large trace change predicted (1.07735e-07%) linmin: converged after 4 iterations. - iteration 346: trace = 2.65386100952177 (7.53207e-08% change) + iteration 334: trace = 2.653861039282008 (1.07734e-07% change) linmin: converged after 11 iterations. - iteration 347: trace = 2.653861008483884 (3.91085e-08% change) + iteration 335: trace = 2.65386103653145 (1.03644e-07% change) + linmin: converged after 4 iterations. + iteration 336: trace = 2.653861035304129 (4.62466e-08% change) + large trace change predicted (1.70696e-07%) + linmin: converged after 9 iterations. + iteration 337: trace = 2.653861030774118 (1.70695e-07% change) linmin: converged after 3 iterations. - iteration 348: trace = 2.653861008068904 (1.56368e-08% change) - large trace change predicted (4.68855e-08%) + iteration 338: trace = 2.653861027959072 (1.06074e-07% change) + linmin: converged after 28 iterations. + iteration 339: trace = 2.653861026089714 (7.04392e-08% change) + large trace change predicted (1.55537e-07%) linmin: converged after 2 iterations. - iteration 349: trace = 2.65386100682463 (4.68854e-08% change) - resetting CG direction... - linmin: converged after 4 iterations. - iteration 350: trace = 2.653861006025447 (3.0114e-08% change) + iteration 340: trace = 2.65386102196197 (1.55537e-07% change) linmin: converged after 4 iterations. - iteration 351: trace = 2.653861005676052 (1.31655e-08% change) - large trace change predicted (2.95944e-08%) - linmin: converged after 2 iterations. - iteration 352: trace = 2.653861004890656 (2.95945e-08% change) + iteration 341: trace = 2.653861019353962 (9.82722e-08% change) linmin: converged after 6 iterations. - iteration 353: trace = 2.653861003736128 (4.35037e-08% change) - linmin: converged after 18 iterations. - iteration 354: trace = 2.653861003287212 (1.69156e-08% change) - large trace change predicted (6.13576e-08%) - linmin: converged after 15 iterations. - iteration 355: trace = 2.653861001658863 (6.13578e-08% change) - linmin: converged after 3 iterations. - iteration 356: trace = 2.653861001224155 (1.63802e-08% change) - large trace change predicted (6.75109e-08%) - linmin: converged after 4 iterations. - iteration 357: trace = 2.65386099943251 (6.75109e-08% change) + iteration 342: trace = 2.653861017603194 (6.59706e-08% change) linmin: converged after 2 iterations. - iteration 358: trace = 2.653860997557949 (7.06353e-08% change) - linmin: converged after 3 iterations. - iteration 359: trace = 2.653860996942836 (2.31781e-08% change) - large trace change predicted (7.98076e-08%) + iteration 343: trace = 2.65386101501543 (9.75094e-08% change) linmin: converged after 4 iterations. - iteration 360: trace = 2.653860994824857 (7.98075e-08% change) + iteration 344: trace = 2.653861013779916 (4.65553e-08% change) + linmin: converged after 11 iterations. + iteration 345: trace = 2.653861011893297 (7.10896e-08% change) linmin: converged after 4 iterations. - iteration 361: trace = 2.653860993724631 (4.14575e-08% change) + iteration 346: trace = 2.653861009809731 (7.85108e-08% change) + linmin: converged after 31 iterations. + iteration 347: trace = 2.653861009418338 (1.47481e-08% change) + large trace change predicted (3.69012e-08%) + linmin: converged after 3 iterations. + iteration 348: trace = 2.653861008439033 (3.69011e-08% change) + linmin: converged after 25 iterations. + iteration 349: trace = 2.653861007048965 (5.23791e-08% change) + resetting CG direction... linmin: converged after 3 iterations. - iteration 362: trace = 2.653860992369909 (5.10472e-08% change) + iteration 350: trace = 2.653861006758044 (1.09621e-08% change) + large trace change predicted (3.50145e-08%) + linmin: converged after 2 iterations. + iteration 351: trace = 2.653861005828805 (3.50146e-08% change) + linmin: converged after 2 iterations. + iteration 352: trace = 2.653861005196751 (2.38164e-08% change) + linmin: converged after 19 iterations. + iteration 353: trace = 2.653861004765071 (1.62661e-08% change) + large trace change predicted (4.84218e-08%) linmin: converged after 4 iterations. - iteration 363: trace = 2.653860990436661 (7.28466e-08% change) + iteration 354: trace = 2.653861003480012 (4.84222e-08% change) + linmin: converged after 34 iterations. + iteration 355: trace = 2.653861003062047 (1.57493e-08% change) + large trace change predicted (5.69054e-08%) linmin: converged after 4 iterations. - iteration 364: trace = 2.653860989954883 (1.81539e-08% change) - large trace change predicted (4.99506e-08%) + iteration 356: trace = 2.653861001551853 (5.69055e-08% change) linmin: converged after 3 iterations. - iteration 365: trace = 2.653860988629264 (4.99506e-08% change) + iteration 357: trace = 2.653860999861879 (6.36798e-08% change) + linmin: converged after 3 iterations. + iteration 358: trace = 2.653860999183045 (2.55791e-08% change) + large trace change predicted (7.66879e-08%) linmin: converged after 2 iterations. - iteration 366: trace = 2.653860987592098 (3.90814e-08% change) + iteration 359: trace = 2.653860997147852 (7.6688e-08% change) linmin: converged after 2 iterations. - iteration 367: trace = 2.653860987302343 (1.09183e-08% change) - large trace change predicted (2.99052e-08%) - linmin: converged after 4 iterations. - iteration 368: trace = 2.653860986508704 (2.99051e-08% change) + iteration 360: trace = 2.653860995022923 (8.00693e-08% change) + linmin: converged after 26 iterations. + iteration 361: trace = 2.653860994459849 (2.12172e-08% change) + large trace change predicted (7.42516e-08%) linmin: converged after 2 iterations. - iteration 369: trace = 2.653860985777513 (2.7552e-08% change) + iteration 362: trace = 2.653860992489316 (7.42515e-08% change) + linmin: converged after 3 iterations. + iteration 363: trace = 2.653860990878753 (6.06876e-08% change) + linmin: converged after 2 iterations. + iteration 364: trace = 2.653860990218529 (2.48778e-08% change) + large trace change predicted (5.47188e-08%) linmin: converged after 4 iterations. - iteration 370: trace = 2.653860985541496 (8.89336e-09% change) - linmin: converged after 5 iterations. - iteration 371: trace = 2.653860985182945 (1.35105e-08% change) - linmin: converged after 9 iterations. - iteration 372: trace = 2.653860984531133 (2.45609e-08% change) + iteration 365: trace = 2.653860988766371 (5.47187e-08% change) linmin: converged after 4 iterations. - iteration 373: trace = 2.653860984357667 (6.53637e-09% change) - large trace change predicted (3.17096e-08%) + iteration 366: trace = 2.653860987939631 (3.11524e-08% change) + linmin: converged after 29 iterations. + iteration 367: trace = 2.653860987548747 (1.47289e-08% change) + large trace change predicted (3.41845e-08%) linmin: converged after 4 iterations. - iteration 374: trace = 2.653860983516143 (3.17094e-08% change) + iteration 368: trace = 2.653860986641542 (3.41843e-08% change) + linmin: converged after 22 iterations. + iteration 369: trace = 2.653860986450719 (7.19039e-09% change) + large trace change predicted (2.49473e-08%) + linmin: converged after 3 iterations. + iteration 370: trace = 2.653860985788652 (2.49473e-08% change) linmin: converged after 4 iterations. - iteration 375: trace = 2.653860982746636 (2.89958e-08% change) - linmin: converged after 6 iterations. - iteration 376: trace = 2.653860982367601 (1.42824e-08% change) - large trace change predicted (5.63534e-08%) - linmin: converged after 2 iterations. - iteration 377: trace = 2.65386098087206 (5.63534e-08% change) + iteration 371: trace = 2.65386098531546 (1.78303e-08% change) linmin: converged after 4 iterations. - iteration 378: trace = 2.653860980325325 (2.06015e-08% change) - large trace change predicted (7.91561e-08%) + iteration 372: trace = 2.653860985073454 (9.11903e-09% change) + large trace change predicted (1.98465e-08%) + linmin: converged after 3 iterations. + iteration 373: trace = 2.653860984546757 (1.98464e-08% change) + linmin: converged after 3 iterations. + iteration 374: trace = 2.653860983646378 (3.39271e-08% change) linmin: converged after 4 iterations. - iteration 379: trace = 2.653860978224627 (7.91563e-08% change) - linmin: converged after 2 iterations. - iteration 380: trace = 2.65386097657802 (6.20457e-08% change) + iteration 375: trace = 2.653860983389398 (9.68328e-09% change) + large trace change predicted (3.44156e-08%) linmin: converged after 4 iterations. - iteration 381: trace = 2.653860974677374 (7.16182e-08% change) + iteration 376: trace = 2.653860982476059 (3.44155e-08% change) linmin: converged after 3 iterations. - iteration 382: trace = 2.653860974248397 (1.61642e-08% change) - large trace change predicted (5.56889e-08%) - linmin: converged after 10 iterations. - iteration 383: trace = 2.653860972770481 (5.56893e-08% change) + iteration 377: trace = 2.653860981036427 (5.42467e-08% change) + linmin: converged after 2 iterations. + iteration 378: trace = 2.653860980667359 (1.39068e-08% change) + large trace change predicted (9.10206e-08%) + linmin: converged after 2 iterations. + iteration 379: trace = 2.653860978251799 (9.10206e-08% change) linmin: converged after 4 iterations. - iteration 384: trace = 2.653860971403246 (5.15187e-08% change) + iteration 380: trace = 2.653860976617668 (6.15756e-08% change) linmin: converged after 3 iterations. - iteration 385: trace = 2.653860971106946 (1.11648e-08% change) - large trace change predicted (4.60698e-08%) - linmin: converged after 24 iterations. - iteration 386: trace = 2.653860969884318 (4.60698e-08% change) - linmin: converged after 3 iterations. - iteration 387: trace = 2.65386096918897 (2.62014e-08% change) - linmin: converged after 15 iterations. - iteration 388: trace = 2.65386096901819 (6.43513e-09% change) - large trace change predicted (1.86457e-08%) - linmin: converged after 18 iterations. - iteration 389: trace = 2.653860968523357 (1.86458e-08% change) + iteration 381: trace = 2.653860975862233 (2.84655e-08% change) + linmin: converged after 4 iterations. + iteration 382: trace = 2.653860974475 (5.22722e-08% change) linmin: converged after 3 iterations. - iteration 390: trace = 2.653860968158674 (1.37416e-08% change) - linmin: converged after 35 iterations. - iteration 391: trace = 2.653860967960512 (7.46696e-09% change) + iteration 383: trace = 2.653860972824321 (6.21992e-08% change) + linmin: converged after 4 iterations. + iteration 384: trace = 2.653860972160352 (2.5019e-08% change) + linmin: converged after 4 iterations. + iteration 385: trace = 2.653860971184856 (3.67576e-08% change) + linmin: converged after 4 iterations. + iteration 386: trace = 2.65386097021008 (3.67305e-08% change) + linmin: converged after 5 iterations. + iteration 387: trace = 2.653860969763055 (1.68443e-08% change) + linmin: converged after 2 iterations. + iteration 388: trace = 2.653860969080528 (2.57183e-08% change) linmin: converged after 3 iterations. - iteration 392: trace = 2.653860967648039 (1.17743e-08% change) + iteration 389: trace = 2.653860968577395 (1.89585e-08% change) linmin: converged after 18 iterations. - iteration 393: trace = 2.653860967490427 (5.93898e-09% change) + iteration 390: trace = 2.653860968445255 (4.97915e-09% change) + large trace change predicted (1.66764e-08%) linmin: converged after 4 iterations. - iteration 394: trace = 2.653860967241791 (9.36887e-09% change) + iteration 391: trace = 2.65386096800269 (1.66763e-08% change) linmin: converged after 2 iterations. - iteration 395: trace = 2.653860966809531 (1.6288e-08% change) - linmin: converged after 6 iterations. - iteration 396: trace = 2.653860966706069 (3.89855e-09% change) - large trace change predicted (2.54919e-08%) + iteration 392: trace = 2.653860967736459 (1.00319e-08% change) + linmin: converged after 4 iterations. + iteration 393: trace = 2.653860967603682 (5.00318e-09% change) + large trace change predicted (1.21756e-08%) + linmin: converged after 5 iterations. + iteration 394: trace = 2.653860967280558 (1.21756e-08% change) linmin: converged after 23 iterations. - iteration 397: trace = 2.653860966029556 (2.54917e-08% change) - linmin: converged after 6 iterations. - iteration 398: trace = 2.653860965630015 (1.50551e-08% change) - linmin: converged after 3 iterations. - iteration 399: trace = 2.653860965304476 (1.22666e-08% change) - large trace change predicted (2.54255e-08%) - linmin: converged after 25 iterations. - iteration 400: trace = 2.65386096462972 (2.54254e-08% change) - linmin: converged after 3 iterations. - iteration 401: trace = 2.653860964155916 (1.78534e-08% change) - linmin: converged after 3 iterations. - iteration 402: trace = 2.653860963907952 (9.34351e-09% change) - large trace change predicted (2.29606e-08%) + iteration 395: trace = 2.653860967013947 (1.00462e-08% change) + linmin: converged after 15 iterations. + iteration 396: trace = 2.653860966766244 (9.33367e-09% change) + large trace change predicted (2.66717e-08%) + linmin: converged after 4 iterations. + iteration 397: trace = 2.653860966058411 (2.66718e-08% change) linmin: converged after 6 iterations. - iteration 403: trace = 2.653860963298608 (2.29606e-08% change) + iteration 398: trace = 2.653860965849237 (7.88186e-09% change) + large trace change predicted (2.03745e-08%) linmin: converged after 3 iterations. - iteration 404: trace = 2.653860962880434 (1.57572e-08% change) + iteration 399: trace = 2.653860965308525 (2.03745e-08% change) + linmin: converged after 12 iterations. + iteration 400: trace = 2.653860964682941 (2.35726e-08% change) + linmin: converged after 4 iterations. + iteration 401: trace = 2.653860964537801 (5.46899e-09% change) + large trace change predicted (2.31725e-08%) + linmin: converged after 2 iterations. + iteration 402: trace = 2.653860963922837 (2.31724e-08% change) linmin: converged after 26 iterations. - iteration 405: trace = 2.653860962648136 (8.7532e-09% change) - linmin: converged after 5 iterations. - iteration 406: trace = 2.653860962335183 (1.17924e-08% change) - linmin: converged after 24 iterations. - iteration 407: trace = 2.653860962126452 (7.86516e-09% change) - linmin: converged after 8 iterations. - iteration 408: trace = 2.653860962024114 (3.85618e-09% change) + iteration 403: trace = 2.653860963661914 (9.83184e-09% change) linmin: converged after 2 iterations. - iteration 409: trace = 2.653860961824432 (7.52421e-09% change) - linmin: converged after 21 iterations. - iteration 410: trace = 2.653860961752544 (2.70882e-09% change) - linmin: converged after 7 iterations. - iteration 411: trace = 2.653860961683975 (2.58373e-09% change) - linmin: converged after 5 iterations. - iteration 412: trace = 2.653860961592263 (3.45581e-09% change) - linmin: converged after 10 iterations. - iteration 413: trace = 2.653860961543851 (1.82422e-09% change) + iteration 404: trace = 2.653860963204575 (1.7233e-08% change) linmin: converged after 4 iterations. - iteration 414: trace = 2.653860961479011 (2.4432e-09% change) + iteration 405: trace = 2.653860962826395 (1.42502e-08% change) linmin: converged after 4 iterations. - iteration 415: trace = 2.653860961392956 (3.24266e-09% change) - linmin: converged after 5 iterations. - iteration 416: trace = 2.65386096131743 (2.84587e-09% change) - linmin: converged after 15 iterations. - iteration 417: trace = 2.653860961274856 (1.60424e-09% change) - large trace change predicted (7.61443e-09%) + iteration 406: trace = 2.653860962367637 (1.72865e-08% change) + linmin: converged after 24 iterations. + iteration 407: trace = 2.653860962296429 (2.68318e-09% change) + large trace change predicted (9.30743e-09%) linmin: converged after 19 iterations. - iteration 418: trace = 2.653860961072778 (7.61449e-09% change) + iteration 408: trace = 2.653860962049418 (9.3076e-09% change) + linmin: converged after 25 iterations. + iteration 409: trace = 2.653860961919662 (4.88934e-09% change) linmin: converged after 4 iterations. - iteration 419: trace = 2.653860960828427 (9.20737e-09% change) - resetting CG direction... + iteration 410: trace = 2.653860961824107 (3.60057e-09% change) + linmin: converged after 3 iterations. + iteration 411: trace = 2.65386096170318 (4.55667e-09% change) linmin: converged after 2 iterations. - iteration 420: trace = 2.653860960647904 (6.80228e-09% change) - linmin: converged after 19 iterations. - iteration 421: trace = 2.653860960488238 (6.01639e-09% change) - linmin: converged after 15 iterations. - iteration 422: trace = 2.653860960457683 (1.15131e-09% change) - linmin: converged after 4 iterations. - iteration 423: trace = 2.653860960397895 (2.25288e-09% change) + iteration 412: trace = 2.6538609616232 (3.01371e-09% change) + linmin: converged after 3 iterations. + iteration 413: trace = 2.653860961595356 (1.0492e-09% change) + large trace change predicted (3.63051e-09%) + linmin: converged after 5 iterations. + iteration 414: trace = 2.653860961499009 (3.63044e-09% change) + linmin: converged after 16 iterations. + iteration 415: trace = 2.653860961411113 (3.31198e-09% change) + linmin: converged after 3 iterations. + iteration 416: trace = 2.65386096137708 (1.28242e-09% change) + large trace change predicted (3.12685e-09%) + linmin: converged after 10 iterations. + iteration 417: trace = 2.653860961294095 (3.12694e-09% change) + linmin: converged after 9 iterations. + iteration 418: trace = 2.653860961136594 (5.93479e-09% change) linmin: converged after 4 iterations. - iteration 424: trace = 2.653860960331005 (2.52048e-09% change) - linmin: converged after 19 iterations. - iteration 425: trace = 2.653860960313058 (6.76259e-10% change) - large trace change predicted (3.02963e-09%) + iteration 419: trace = 2.653860961052612 (3.16449e-09% change) + resetting CG direction... linmin: converged after 4 iterations. - iteration 426: trace = 2.653860960232654 (3.02972e-09% change) - linmin: converged after 18 iterations. - iteration 427: trace = 2.653860960202634 (1.13116e-09% change) - linmin: converged after 15 iterations. - iteration 428: trace = 2.653860960151567 (1.92426e-09% change) + iteration 420: trace = 2.653860960975736 (2.89677e-09% change) + linmin: converged after 5 iterations. + iteration 421: trace = 2.653860960856497 (4.49305e-09% change) + linmin: converged after 9 iterations. + iteration 422: trace = 2.653860960778266 (2.94781e-09% change) linmin: converged after 4 iterations. - iteration 429: trace = 2.653860960075439 (2.86859e-09% change) - linmin: converged after 12 iterations. - iteration 430: trace = 2.653860960049703 (9.69752e-10% change) - large trace change predicted (3.48318e-09%) - linmin: converged after 2 iterations. - iteration 431: trace = 2.653860959957266 (3.48312e-09% change) + iteration 423: trace = 2.653860960751979 (9.90518e-10% change) + large trace change predicted (2.58308e-09%) + linmin: converged after 19 iterations. + iteration 424: trace = 2.653860960683426 (2.58313e-09% change) linmin: converged after 4 iterations. - iteration 432: trace = 2.653860959834929 (4.60977e-09% change) - linmin: converged after 21 iterations. - iteration 433: trace = 2.653860959792721 (1.59042e-09% change) - large trace change predicted (5.51401e-09%) + iteration 425: trace = 2.653860960614034 (2.61476e-09% change) + linmin: converged after 7 iterations. + iteration 426: trace = 2.653860960595054 (7.15182e-10% change) + large trace change predicted (2.99136e-09%) + linmin: converged after 5 iterations. + iteration 427: trace = 2.653860960515669 (2.99132e-09% change) linmin: converged after 3 iterations. - iteration 434: trace = 2.65386095964639 (5.51391e-09% change) - linmin: converged after 9 iterations. - iteration 435: trace = 2.653860959509967 (5.14053e-09% change) + iteration 428: trace = 2.653860960466584 (1.84958e-09% change) linmin: converged after 8 iterations. - iteration 436: trace = 2.653860959455933 (2.03606e-09% change) - large trace change predicted (6.5289e-09%) - linmin: converged after 9 iterations. - iteration 437: trace = 2.653860959282671 (6.5287e-09% change) - linmin: converged after 24 iterations. - iteration 438: trace = 2.65386095908555 (7.42767e-09% change) + iteration 429: trace = 2.653860960424975 (1.56786e-09% change) + large trace change predicted (4.65715e-09%) + linmin: converged after 12 iterations. + iteration 430: trace = 2.653860960301381 (4.65716e-09% change) + linmin: converged after 15 iterations. + iteration 431: trace = 2.65386096024308 (2.1968e-09% change) linmin: converged after 4 iterations. - iteration 439: trace = 2.653860959040805 (1.68604e-09% change) - large trace change predicted (8.09764e-09%) + iteration 432: trace = 2.65386096012767 (4.34877e-09% change) + linmin: converged after 2 iterations. + iteration 433: trace = 2.653860959936846 (7.19042e-09% change) linmin: converged after 3 iterations. - iteration 440: trace = 2.653860958825907 (8.09759e-09% change) - linmin: converged after 10 iterations. - iteration 441: trace = 2.653860958707799 (4.4504e-09% change) - linmin: converged after 16 iterations. - iteration 442: trace = 2.653860958660138 (1.79593e-09% change) - large trace change predicted (5.15645e-09%) - linmin: converged after 4 iterations. - iteration 443: trace = 2.653860958523291 (5.15652e-09% change) + iteration 434: trace = 2.653860959784323 (5.74724e-09% change) + linmin: converged after 12 iterations. + iteration 435: trace = 2.653860959707019 (2.91289e-09% change) + large trace change predicted (7.02712e-09%) linmin: converged after 13 iterations. - iteration 444: trace = 2.653860958429302 (3.54157e-09% change) + iteration 436: trace = 2.653860959520528 (7.02713e-09% change) linmin: converged after 4 iterations. - iteration 445: trace = 2.653860958410826 (6.96206e-10% change) - large trace change predicted (2.13082e-09%) - linmin: converged after 12 iterations. - iteration 446: trace = 2.653860958354281 (2.13069e-09% change) - linmin: converged after 12 iterations. - iteration 447: trace = 2.653860958306856 (1.78701e-09% change) - linmin: converged after 16 iterations. - iteration 448: trace = 2.653860958291415 (5.81831e-10% change) - large trace change predicted (2.31693e-09%) - linmin: converged after 14 iterations. - iteration 449: trace = 2.653860958229925 (2.31702e-09% change) - linmin: converged after 9 iterations. - iteration 450: trace = 2.653860958176105 (2.02796e-09% change) + iteration 437: trace = 2.653860959399963 (4.54302e-09% change) linmin: converged after 15 iterations. - iteration 451: trace = 2.653860958134957 (1.55051e-09% change) - linmin: converged after 13 iterations. - iteration 452: trace = 2.653860958103313 (1.19238e-09% change) - large trace change predicted (3.16997e-09%) - linmin: converged after 3 iterations. - iteration 453: trace = 2.653860958019188 (3.1699e-09% change) - linmin: converged after 16 iterations. - iteration 454: trace = 2.653860957973268 (1.73033e-09% change) - linmin: converged after 13 iterations. - iteration 455: trace = 2.653860957912659 (2.28378e-09% change) + iteration 438: trace = 2.653860959267623 (4.98668e-09% change) linmin: converged after 4 iterations. - iteration 456: trace = 2.653860957802967 (4.13333e-09% change) - linmin: converged after 21 iterations. - iteration 457: trace = 2.653860957776588 (9.93982e-10% change) - large trace change predicted (2.49512e-09%) - linmin: converged after 2 iterations. - iteration 458: trace = 2.65386095771037 (2.49516e-09% change) + iteration 439: trace = 2.653860959057576 (7.91479e-09% change) + linmin: converged after 20 iterations. + iteration 440: trace = 2.65386095900727 (1.89558e-09% change) + large trace change predicted (5.10491e-09%) + linmin: converged after 19 iterations. + iteration 441: trace = 2.653860958871793 (5.1049e-09% change) linmin: converged after 3 iterations. - iteration 459: trace = 2.653860957609381 (3.80536e-09% change) - linmin: converged after 6 iterations. - iteration 460: trace = 2.653860957587652 (8.18763e-10% change) - large trace change predicted (3.53265e-09%) + iteration 442: trace = 2.653860958747081 (4.69926e-09% change) + linmin: converged after 4 iterations. + iteration 443: trace = 2.653860958709868 (1.40223e-09% change) + large trace change predicted (4.13283e-09%) linmin: converged after 9 iterations. - iteration 461: trace = 2.653860957493902 (3.53257e-09% change) + iteration 444: trace = 2.653860958600186 (4.13292e-09% change) + linmin: converged after 20 iterations. + iteration 445: trace = 2.653860958559054 (1.54989e-09% change) + linmin: converged after 17 iterations. + iteration 446: trace = 2.653860958522779 (1.36686e-09% change) linmin: converged after 3 iterations. - iteration 462: trace = 2.653860957453567 (1.51989e-09% change) + iteration 447: trace = 2.653860958469547 (2.00584e-09% change) + linmin: converged after 5 iterations. + iteration 448: trace = 2.653860958411893 (2.17245e-09% change) linmin: converged after 4 iterations. - iteration 463: trace = 2.653860957425482 (1.05826e-09% change) - linmin: converged after 8 iterations. - iteration 464: trace = 2.653860957392035 (1.26032e-09% change) - linmin: converged after 8 iterations. - iteration 465: trace = 2.653860957373471 (6.99502e-10% change) + iteration 449: trace = 2.653860958390092 (8.21508e-10% change) + large trace change predicted (2.42473e-09%) linmin: converged after 3 iterations. - iteration 466: trace = 2.653860957355178 (6.89295e-10% change) - linmin: converged after 6 iterations. - iteration 467: trace = 2.653860957335606 (7.37488e-10% change) - linmin: converged after 6 iterations. - iteration 468: trace = 2.653860957330625 (1.87702e-10% change) - large trace change predicted (5.11928e-10%) - linmin: converged after 12 iterations. - iteration 469: trace = 2.65386095731704 (5.11901e-10% change) - linmin: converged after 3 iterations. - iteration 470: trace = 2.653860957302546 (5.46121e-10% change) - linmin: converged after 13 iterations. - iteration 471: trace = 2.653860957299613 (1.10543e-10% change) - large trace change predicted (6.33462e-10%) - linmin: converged after 6 iterations. - iteration 472: trace = 2.6538609572828 (6.33521e-10% change) + iteration 450: trace = 2.653860958325744 (2.4247e-09% change) linmin: converged after 7 iterations. - iteration 473: trace = 2.653860957267194 (5.88039e-10% change) + iteration 451: trace = 2.653860958251678 (2.79086e-09% change) linmin: converged after 4 iterations. - iteration 474: trace = 2.653860957254259 (4.87403e-10% change) + iteration 452: trace = 2.653860958183617 (2.56461e-09% change) + linmin: converged after 6 iterations. + iteration 453: trace = 2.653860958132776 (1.91574e-09% change) + large trace change predicted (4.22371e-09%) + linmin: converged after 4 iterations. + iteration 454: trace = 2.653860958020682 (4.22379e-09% change) linmin: converged after 3 iterations. - iteration 475: trace = 2.653860957244893 (3.52947e-10% change) - large trace change predicted (8.70554e-10%) + iteration 455: trace = 2.653860957921001 (3.7561e-09% change) linmin: converged after 3 iterations. - iteration 476: trace = 2.653860957221787 (8.70638e-10% change) + iteration 456: trace = 2.653860957881125 (1.50257e-09% change) + large trace change predicted (3.46098e-09%) + linmin: converged after 4 iterations. + iteration 457: trace = 2.653860957789278 (3.46086e-09% change) linmin: converged after 3 iterations. - iteration 477: trace = 2.653860957203586 (6.85848e-10% change) - linmin: converged after 12 iterations. - iteration 478: trace = 2.653860957193507 (3.79771e-10% change) - large trace change predicted (1.15727e-09%) + iteration 458: trace = 2.65386095774044 (1.84027e-09% change) linmin: converged after 7 iterations. - iteration 479: trace = 2.653860957162796 (1.15722e-09% change) - linmin: converged after 6 iterations. - iteration 480: trace = 2.653860957152354 (3.93476e-10% change) - large trace change predicted (7.91997e-10%) - linmin: converged after 2 iterations. - iteration 481: trace = 2.653860957131337 (7.91939e-10% change) - linmin: converged after 12 iterations. - iteration 482: trace = 2.653860957105225 (9.83925e-10% change) - linmin: converged after 15 iterations. - iteration 483: trace = 2.653860957096376 (3.33436e-10% change) - large trace change predicted (7.68681e-10%) + iteration 459: trace = 2.653860957677221 (2.38214e-09% change) linmin: converged after 4 iterations. - iteration 484: trace = 2.653860957075975 (7.68713e-10% change) - linmin: converged after 7 iterations. - iteration 485: trace = 2.653860957061548 (5.43628e-10% change) + iteration 460: trace = 2.653860957561397 (4.36435e-09% change) + linmin: converged after 15 iterations. + iteration 461: trace = 2.653860957541831 (7.37253e-10% change) + large trace change predicted (1.74676e-09%) + linmin: converged after 3 iterations. + iteration 462: trace = 2.653860957495471 (1.7469e-09% change) + linmin: converged after 2 iterations. + iteration 463: trace = 2.653860957461851 (1.26684e-09% change) linmin: converged after 4 iterations. - iteration 486: trace = 2.653860957054837 (2.52863e-10% change) + iteration 464: trace = 2.653860957452177 (3.64544e-10% change) + large trace change predicted (1.00643e-09%) linmin: converged after 3 iterations. - iteration 487: trace = 2.653860957047202 (2.87719e-10% change) + iteration 465: trace = 2.65386095742547 (1.00633e-09% change) + linmin: converged after 6 iterations. + iteration 466: trace = 2.653860957404278 (7.98516e-10% change) linmin: converged after 3 iterations. - iteration 488: trace = 2.653860957042094 (1.92454e-10% change) + iteration 467: trace = 2.653860957398485 (2.18308e-10% change) + large trace change predicted (4.64394e-10%) + linmin: converged after 6 iterations. + iteration 468: trace = 2.653860957386161 (4.64377e-10% change) + linmin: converged after 7 iterations. + iteration 469: trace = 2.653860957377553 (3.24349e-10% change) linmin: converged after 3 iterations. - iteration 489: trace = 2.653860957037943 (1.5641e-10% change) - resetting CG direction... + iteration 470: trace = 2.653860957366382 (4.20953e-10% change) + linmin: converged after 16 iterations. + iteration 471: trace = 2.653860957349631 (6.31195e-10% change) + linmin: converged after 5 iterations. + iteration 472: trace = 2.65386095733826 (4.28466e-10% change) + linmin: converged after 19 iterations. + iteration 473: trace = 2.65386095732365 (5.50489e-10% change) + linmin: converged after 3 iterations. + iteration 474: trace = 2.653860957305755 (6.74301e-10% change) linmin: converged after 6 iterations. - iteration 490: trace = 2.65386095703434 (1.35794e-10% change) + iteration 475: trace = 2.653860957297089 (3.26558e-10% change) + large trace change predicted (1.19023e-09%) linmin: converged after 6 iterations. - iteration 491: trace = 2.653860957030801 (1.33351e-10% change) + iteration 476: trace = 2.653860957265497 (1.1904e-09% change) + linmin: converged after 9 iterations. + iteration 477: trace = 2.653860957238801 (1.00593e-09% change) + linmin: converged after 5 iterations. + iteration 478: trace = 2.65386095720763 (1.17456e-09% change) + linmin: converged after 17 iterations. + iteration 479: trace = 2.653860957200049 (2.85678e-10% change) + large trace change predicted (9.96188e-10%) linmin: converged after 3 iterations. - iteration 492: trace = 2.653860957025126 (2.1384e-10% change) + iteration 480: trace = 2.653860957173611 (9.96191e-10% change) + linmin: converged after 8 iterations. + iteration 481: trace = 2.653860957149453 (9.10297e-10% change) linmin: converged after 3 iterations. - iteration 493: trace = 2.65386095702037 (1.79218e-10% change) - linmin: converged after 9 iterations. - iteration 494: trace = 2.653860957012349 (3.02211e-10% change) + iteration 482: trace = 2.653860957143419 (2.27394e-10% change) + large trace change predicted (9.61394e-10%) + linmin: converged after 6 iterations. + iteration 483: trace = 2.653860957117904 (9.61418e-10% change) + linmin: converged after 4 iterations. + iteration 484: trace = 2.653860957104059 (5.21707e-10% change) linmin: converged after 3 iterations. - iteration 495: trace = 2.653860957000387 (4.50739e-10% change) + iteration 485: trace = 2.65386095709835 (2.15095e-10% change) + linmin: converged after 6 iterations. + iteration 486: trace = 2.653860957088228 (3.81411e-10% change) + linmin: converged after 18 iterations. + iteration 487: trace = 2.653860957081156 (2.66484e-10% change) linmin: converged after 3 iterations. - iteration 496: trace = 2.65386095699586 (1.706e-10% change) - large trace change predicted (5.37929e-10%) + iteration 488: trace = 2.653860957076909 (1.60024e-10% change) + large trace change predicted (1.14048e-09%) + linmin: converged after 6 iterations. + iteration 489: trace = 2.653860957046644 (1.14044e-09% change) + resetting CG direction... + linmin: converged after 5 iterations. + iteration 490: trace = 2.65386095704056 (2.29235e-10% change) + linmin: converged after 5 iterations. + iteration 491: trace = 2.653860957029036 (4.34223e-10% change) + linmin: converged after 6 iterations. + iteration 492: trace = 2.65386095702316 (2.2142e-10% change) linmin: converged after 4 iterations. - iteration 497: trace = 2.653860956981582 (5.38005e-10% change) - linmin: converged after 9 iterations. - iteration 498: trace = 2.65386095696949 (4.55642e-10% change) - linmin: converged after 9 iterations. - iteration 499: trace = 2.653860956964063 (2.04503e-10% change) - large trace change predicted (5.82409e-10%) + iteration 493: trace = 2.653860957020009 (1.18726e-10% change) + large trace change predicted (2.91663e-10%) linmin: converged after 3 iterations. - iteration 500: trace = 2.653860956948609 (5.82316e-10% change) - linmin: converged after 2 iterations. - iteration 501: trace = 2.653860956942851 (2.16952e-10% change) + iteration 494: trace = 2.653860957012267 (2.91735e-10% change) linmin: converged after 3 iterations. - iteration 502: trace = 2.653860956932339 (3.96103e-10% change) - linmin: converged after 2 iterations. - iteration 503: trace = 2.653860956920813 (4.34323e-10% change) + iteration 495: trace = 2.653860957005846 (2.41953e-10% change) linmin: converged after 3 iterations. - iteration 504: trace = 2.653860956917655 (1.18977e-10% change) - large trace change predicted (3.26651e-10%) + iteration 496: trace = 2.653860956997979 (2.96454e-10% change) linmin: converged after 2 iterations. - iteration 505: trace = 2.653860956908983 (3.26792e-10% change) + iteration 497: trace = 2.653860956985047 (4.87269e-10% change) + linmin: converged after 10 iterations. + iteration 498: trace = 2.653860956980572 (1.68609e-10% change) + large trace change predicted (3.70841e-10%) + linmin: converged after 9 iterations. + iteration 499: trace = 2.653860956970729 (3.70919e-10% change) + linmin: converged after 7 iterations. + iteration 500: trace = 2.653860956958097 (4.7599e-10% change) + linmin: converged after 5 iterations. + iteration 501: trace = 2.653860956953606 (1.69228e-10% change) + large trace change predicted (4.97612e-10%) + linmin: converged after 3 iterations. + iteration 502: trace = 2.653860956940398 (4.97677e-10% change) linmin: converged after 3 iterations. - iteration 506: trace = 2.653860956902382 (2.48713e-10% change) + iteration 503: trace = 2.653860956924814 (5.87219e-10% change) + linmin: converged after 3 iterations. + iteration 504: trace = 2.653860956921722 (1.16517e-10% change) + large trace change predicted (4.79484e-10%) + linmin: converged after 7 iterations. + iteration 505: trace = 2.653860956908999 (4.79421e-10% change) + linmin: converged after 6 iterations. + iteration 506: trace = 2.653860956905634 (1.26791e-10% change) + linmin: converged after 6 iterations. + iteration 507: trace = 2.653860956901093 (1.71102e-10% change) linmin: converged after 5 iterations. - iteration 507: trace = 2.653860956900614 (6.66336e-11% change) -Finished solving for bands 1 to 10 after 507 iterations. + iteration 508: trace = 2.653860956893375 (2.90815e-10% change) + linmin: converged after 4 iterations. + iteration 509: trace = 2.653860956891811 (5.89194e-11% change) +Finished solving for bands 1 to 10 after 509 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: 10.578383445739746 +elapsed time for k point: 31.324442863464355 solve_kpoint (0.333333,0.333333,0): Solving for bands 1 to 10... + linmin: converged after 6 iterations. + iteration 1: trace = 2.767191791886452 (3.67886% change) + linmin: converged after 8 iterations. + iteration 2: trace = 2.669057181948856 (3.61038% change) linmin: converged after 5 iterations. - iteration 1: trace = 2.767192045163025 (3.67887% change) - linmin: converged after 12 iterations. - iteration 2: trace = 2.669057380357486 (3.61038% change) - linmin: converged after 5 iterations. - iteration 3: trace = 2.603626109110742 (2.4819% change) + iteration 3: trace = 2.603626024159824 (2.48189% change) linmin: converged after 4 iterations. - iteration 4: trace = 2.589397560818022 (0.547987% change) - linmin: converged after 5 iterations. - iteration 5: trace = 2.564425789247123 (0.969058% change) + iteration 4: trace = 2.589397427651773 (0.547989% change) + linmin: converged after 8 iterations. + iteration 5: trace = 2.564425717894877 (0.969056% change) linmin: converged after 4 iterations. - iteration 6: trace = 2.562271003184409 (0.0840614% change) - large trace change predicted (0.183586%) + iteration 6: trace = 2.562270961214711 (0.0840602% change) + large trace change predicted (0.183587%) linmin: converged after 4 iterations. - iteration 7: trace = 2.557519452644537 (0.185615% change) + iteration 7: trace = 2.557519385647994 (0.185616% change) linmin: converged after 4 iterations. - iteration 8: trace = 2.5533812062184 (0.161938% change) + iteration 8: trace = 2.553381191350844 (0.161936% change) linmin: converged after 4 iterations. - iteration 9: trace = 2.551758159301232 (0.0635848% change) + iteration 9: trace = 2.551758112255427 (0.0635861% change) linmin: converged after 4 iterations. - iteration 10: trace = 2.548676145701263 (0.120853% change) + iteration 10: trace = 2.548676112883343 (0.120852% change) linmin: converged after 4 iterations. - iteration 11: trace = 2.547042257271972 (0.0641279% change) - linmin: converged after 5 iterations. - iteration 12: trace = 2.545109407132459 (0.0759149% change) + iteration 11: trace = 2.547042310209013 (0.0641245% change) linmin: converged after 4 iterations. - iteration 13: trace = 2.543744874672027 (0.0536283% change) + iteration 12: trace = 2.545109385216357 (0.0759178% change) linmin: converged after 4 iterations. - iteration 14: trace = 2.543493569722713 (0.00987982% change) + iteration 13: trace = 2.543744868153896 (0.0536277% change) + linmin: converged after 3 iterations. + iteration 14: trace = 2.543493556352575 (0.00988009% change) large trace change predicted (0.032685%) linmin: converged after 4 iterations. - iteration 15: trace = 2.542654865255261 (0.0329799% change) + iteration 15: trace = 2.542654851760977 (0.0329799% change) linmin: converged after 3 iterations. - iteration 16: trace = 2.542233437169567 (0.0165757% change) + iteration 16: trace = 2.542233441558034 (0.016575% change) linmin: converged after 3 iterations. - iteration 17: trace = 2.541989490215497 (0.00959623% change) + iteration 17: trace = 2.541989478981396 (0.00959685% change) large trace change predicted (0.0296917%) linmin: converged after 4 iterations. - iteration 18: trace = 2.541222886559927 (0.0301622% change) - linmin: converged after 3 iterations. - iteration 19: trace = 2.540916754194661 (0.0120474% change) - linmin: converged after 3 iterations. - iteration 20: trace = 2.540420138084658 (0.0195467% change) + iteration 18: trace = 2.541222875840361 (0.0301622% change) linmin: converged after 3 iterations. - iteration 21: trace = 2.540069646846972 (0.0137975% change) + iteration 19: trace = 2.54091676641366 (0.0120465% change) linmin: converged after 4 iterations. - iteration 22: trace = 2.53991319211357 (0.00615966% change) - large trace change predicted (0.0132667%) + iteration 20: trace = 2.540420128614347 (0.0195475% change) linmin: converged after 3 iterations. - iteration 23: trace = 2.539574241822349 (0.0133458% change) - linmin: converged after 3 iterations. - iteration 24: trace = 2.539320168380693 (0.0100051% change) + iteration 21: trace = 2.540069651567165 (0.013797% change) + linmin: converged after 4 iterations. + iteration 22: trace = 2.539913249969073 (0.00615756% change) + large trace change predicted (0.0132693%) linmin: converged after 3 iterations. - iteration 25: trace = 2.539190156451761 (0.00512008% change) - large trace change predicted (0.0109149%) + iteration 23: trace = 2.539574233744634 (0.0133484% change) linmin: converged after 3 iterations. - iteration 26: trace = 2.538912105880391 (0.010951% change) + iteration 24: trace = 2.539320257296386 (0.0100012% change) + linmin: converged after 4 iterations. + iteration 25: trace = 2.539190153329539 (0.00512371% change) + large trace change predicted (0.0109151%) + linmin: converged after 11 iterations. + iteration 26: trace = 2.538912099384342 (0.0109511% change) linmin: converged after 3 iterations. - iteration 27: trace = 2.538826558903819 (0.00336949% change) - large trace change predicted (0.00728293%) - linmin: converged after 5 iterations. - iteration 28: trace = 2.538640922020423 (0.00731218% change) + iteration 27: trace = 2.538826559178742 (0.00336922% change) + large trace change predicted (0.00728324%) linmin: converged after 4 iterations. - iteration 29: trace = 2.538416115055694 (0.0088558% change) - linmin: converged after 5 iterations. - iteration 30: trace = 2.538329681714421 (0.00340507% change) - large trace change predicted (0.0126404%) + iteration 28: trace = 2.538640914435417 (0.00731249% change) + linmin: converged after 4 iterations. + iteration 29: trace = 2.538416110439926 (0.00885568% change) linmin: converged after 4 iterations. - iteration 31: trace = 2.538007652449731 (0.0126875% change) + iteration 30: trace = 2.538329675407736 (0.00340514% change) + large trace change predicted (0.0126401%) linmin: converged after 3 iterations. - iteration 32: trace = 2.537917254792359 (0.00356182% change) - large trace change predicted (0.0118588%) + iteration 31: trace = 2.538007653609985 (0.0126872% change) linmin: converged after 3 iterations. - iteration 33: trace = 2.537615514542672 (0.01189% change) + iteration 32: trace = 2.537917274580012 (0.00356109% change) + large trace change predicted (0.0118597%) linmin: converged after 3 iterations. - iteration 34: trace = 2.53744664420911 (0.00665491% change) - linmin: converged after 4 iterations. - iteration 35: trace = 2.537337487891875 (0.00430191% change) - large trace change predicted (0.0106116%) - linmin: converged after 6 iterations. - iteration 36: trace = 2.537068033653169 (0.0106201% change) + iteration 33: trace = 2.53761551245654 (0.0118909% change) linmin: converged after 3 iterations. - iteration 37: trace = 2.53699943464511 (0.00270391% change) - large trace change predicted (0.0111009%) + iteration 34: trace = 2.537446687882134 (0.0066531% change) + linmin: converged after 5 iterations. + iteration 35: trace = 2.537337488171863 (0.00430362% change) + large trace change predicted (0.0106112%) linmin: converged after 3 iterations. - iteration 38: trace = 2.536717394141688 (0.0111177% change) + iteration 36: trace = 2.53706804433079 (0.0106197% change) linmin: converged after 4 iterations. - iteration 39: trace = 2.536633734665125 (0.003298% change) - linmin: converged after 3 iterations. - iteration 40: trace = 2.536477822463409 (0.00614661% change) + iteration 37: trace = 2.536999436485513 (0.00270425% change) + large trace change predicted (0.011101%) + linmin: converged after 4 iterations. + iteration 38: trace = 2.536717392474961 (0.0111178% change) + linmin: converged after 6 iterations. + iteration 39: trace = 2.536633732541285 (0.00329801% change) linmin: converged after 3 iterations. - iteration 41: trace = 2.536329218818773 (0.00585883% change) + iteration 40: trace = 2.536477821406288 (0.00614657% change) linmin: converged after 3 iterations. - iteration 42: trace = 2.53615020102548 (0.00705839% change) + iteration 41: trace = 2.536329200615658 (0.00585951% change) linmin: converged after 3 iterations. - iteration 43: trace = 2.535989255703162 (0.00634625% change) + iteration 42: trace = 2.536150199341517 (0.00705774% change) linmin: converged after 3 iterations. - iteration 44: trace = 2.535865706424353 (0.00487196% change) + iteration 43: trace = 2.535989243230848 (0.00634668% change) linmin: converged after 3 iterations. - iteration 45: trace = 2.535703192587326 (0.00640882% change) + iteration 44: trace = 2.535865704047362 (0.00487156% change) linmin: converged after 3 iterations. - iteration 46: trace = 2.535652227616092 (0.00200992% change) - large trace change predicted (0.00754028%) + iteration 45: trace = 2.535703187784185 (0.00640891% change) linmin: converged after 3 iterations. - iteration 47: trace = 2.53546107910786 (0.00753872% change) + iteration 46: trace = 2.535652221992752 (0.00200995% change) + large trace change predicted (0.00754022%) linmin: converged after 3 iterations. - iteration 48: trace = 2.535421748870608 (0.00155122% change) - large trace change predicted (0.00506183%) + iteration 47: trace = 2.535461074863472 (0.00753867% change) linmin: converged after 3 iterations. - iteration 49: trace = 2.535293468493803 (0.00505966% change) + iteration 48: trace = 2.535421744837986 (0.00155121% change) + large trace change predicted (0.00506185%) linmin: converged after 4 iterations. - iteration 50: trace = 2.535212823182918 (0.00318096% change) - linmin: converged after 9 iterations. - iteration 51: trace = 2.535125064719677 (0.00346164% change) + iteration 49: trace = 2.535293463991764 (0.00505967% change) linmin: converged after 4 iterations. - iteration 52: trace = 2.5349509031445 (0.00687018% change) + iteration 50: trace = 2.535212820894705 (0.00318087% change) + linmin: converged after 3 iterations. + iteration 51: trace = 2.53512505870533 (0.00346179% change) + linmin: converged after 4 iterations. + iteration 52: trace = 2.534950884625315 (0.00687067% change) linmin: converged after 4 iterations. - iteration 53: trace = 2.534873114315107 (0.0030687% change) - large trace change predicted (0.00863851%) + iteration 53: trace = 2.53487310971592 (0.00306815% change) + large trace change predicted (0.00863883%) linmin: converged after 4 iterations. - iteration 54: trace = 2.534655262783688 (0.00859455% change) + iteration 54: trace = 2.534655249667688 (0.00859488% change) linmin: converged after 4 iterations. - iteration 55: trace = 2.534598374640847 (0.00224444% change) - large trace change predicted (0.00574966%) + iteration 55: trace = 2.534598359054538 (0.00224454% change) + large trace change predicted (0.0057493%) linmin: converged after 4 iterations. - iteration 56: trace = 2.534453143671912 (0.0057301% change) + iteration 56: trace = 2.534453137407969 (0.00572974% change) linmin: converged after 4 iterations. - iteration 57: trace = 2.534390112619761 (0.002487% change) + iteration 57: trace = 2.534390086085702 (0.0024878% change) linmin: converged after 5 iterations. - iteration 58: trace = 2.534330756155766 (0.00234207% change) + iteration 58: trace = 2.534330748283277 (0.00234133% change) linmin: converged after 4 iterations. - iteration 59: trace = 2.534233966213133 (0.00381922% change) + iteration 59: trace = 2.534233952918336 (0.00381944% change) + linmin: converged after 3 iterations. + iteration 60: trace = 2.534207665440155 (0.0010373% change) + large trace change predicted (0.00309731%) linmin: converged after 3 iterations. - iteration 60: trace = 2.534207675681939 (0.00103742% change) - large trace change predicted (0.0030975%) + iteration 61: trace = 2.534129215876442 (0.00309567% change) linmin: converged after 6 iterations. - iteration 61: trace = 2.534129221285733 (0.00309586% change) + iteration 62: trace = 2.53409566655915 (0.00132391% change) + large trace change predicted (0.00285553%) + linmin: converged after 7 iterations. + iteration 63: trace = 2.534023369861821 (0.002853% change) linmin: converged after 4 iterations. - iteration 62: trace = 2.534095670360006 (0.00132397% change) - large trace change predicted (0.00285535%) + iteration 64: trace = 2.533958030049392 (0.00257853% change) linmin: converged after 4 iterations. - iteration 63: trace = 2.534023378172555 (0.00285282% change) + iteration 65: trace = 2.533883385797417 (0.0029458% change) linmin: converged after 4 iterations. - iteration 64: trace = 2.533958013125194 (0.00257953% change) - linmin: converged after 3 iterations. - iteration 65: trace = 2.533883392389698 (0.00294487% change) + iteration 66: trace = 2.533772596721759 (0.0043724% change) linmin: converged after 4 iterations. - iteration 66: trace = 2.533772608404004 (0.0043722% change) + iteration 67: trace = 2.533730662773796 (0.00165501% change) linmin: converged after 4 iterations. - iteration 67: trace = 2.533730667933859 (0.00165527% change) - linmin: converged after 3 iterations. - iteration 68: trace = 2.53365915475089 (0.00282249% change) + iteration 68: trace = 2.533659148213518 (0.00282254% change) linmin: converged after 3 iterations. - iteration 69: trace = 2.533617380418967 (0.00164879% change) + iteration 69: trace = 2.533617356206182 (0.00164949% change) resetting CG direction... - linmin: converged after 4 iterations. - iteration 70: trace = 2.533588522803026 (0.001139% change) linmin: converged after 5 iterations. - iteration 71: trace = 2.533564665548087 (0.000941643% change) + iteration 70: trace = 2.533588492802324 (0.00113922% change) + linmin: converged after 4 iterations. + iteration 71: trace = 2.533564639192661 (0.000941499% change) linmin: converged after 6 iterations. - iteration 72: trace = 2.533539618364233 (0.000988619% change) + iteration 72: trace = 2.533539596194577 (0.000988454% change) + linmin: converged after 3 iterations. + iteration 73: trace = 2.533522880345783 (0.000659785% change) + large trace change predicted (0.0018386%) + linmin: converged after 4 iterations. + iteration 74: trace = 2.53347621803041 (0.00184181% change) linmin: converged after 3 iterations. - iteration 73: trace = 2.533522906468145 (0.000659629% change) - large trace change predicted (0.00183841%) + iteration 75: trace = 2.53346414275306 (0.00047663% change) + large trace change predicted (0.00275234%) + linmin: converged after 8 iterations. + iteration 76: trace = 2.533394168317753 (0.00276204% change) linmin: converged after 3 iterations. - iteration 74: trace = 2.533476249005274 (0.00184162% change) - linmin: converged after 5 iterations. - iteration 75: trace = 2.533464174381763 (0.000476604% change) - large trace change predicted (0.00275226%) - linmin: converged after 5 iterations. - iteration 76: trace = 2.533394202119549 (0.00276196% change) - linmin: converged after 10 iterations. - iteration 77: trace = 2.533360209152475 (0.0013418% change) + iteration 77: trace = 2.533360180816457 (0.00134159% change) linmin: converged after 3 iterations. - iteration 78: trace = 2.533332274267103 (0.00110269% change) - large trace change predicted (0.00246268%) - linmin: converged after 4 iterations. - iteration 79: trace = 2.533269609255164 (0.00247365% change) + iteration 78: trace = 2.53333224292815 (0.00110281% change) + large trace change predicted (0.00246264%) + linmin: converged after 6 iterations. + iteration 79: trace = 2.533269578888639 (0.00247361% change) linmin: converged after 4 iterations. - iteration 80: trace = 2.533217623027478 (0.00205216% change) + iteration 80: trace = 2.533217591494529 (0.00205221% change) + linmin: converged after 3 iterations. + iteration 81: trace = 2.533191338542407 (0.00103635% change) + large trace change predicted (0.00237291%) + linmin: converged after 3 iterations. + iteration 82: trace = 2.533130978477588 (0.0023828% change) + linmin: converged after 3 iterations. + iteration 83: trace = 2.533112974940858 (0.000710725% change) + linmin: converged after 3 iterations. + iteration 84: trace = 2.533088857185809 (0.000952104% change) linmin: converged after 4 iterations. - iteration 81: trace = 2.533191364656076 (0.00103657% change) - large trace change predicted (0.00237285%) - linmin: converged after 6 iterations. - iteration 82: trace = 2.533131006388617 (0.00238273% change) + iteration 85: trace = 2.533060187816301 (0.0011318% change) linmin: converged after 3 iterations. - iteration 83: trace = 2.533113008962917 (0.000710484% change) + iteration 86: trace = 2.533052314740706 (0.000310813% change) + large trace change predicted (0.000754593%) linmin: converged after 3 iterations. - iteration 84: trace = 2.533088875728426 (0.000952715% change) + iteration 87: trace = 2.533033190061067 (0.000755008% change) linmin: converged after 3 iterations. - iteration 85: trace = 2.533060210964731 (0.00113162% change) + iteration 88: trace = 2.533014376212249 (0.000742743% change) linmin: converged after 3 iterations. - iteration 86: trace = 2.533052336070403 (0.000310885% change) - large trace change predicted (0.000754712%) + iteration 89: trace = 2.5330013816501 (0.000513009% change) linmin: converged after 3 iterations. - iteration 87: trace = 2.53303320837675 (0.000755127% change) + iteration 90: trace = 2.532976219412623 (0.000993381% change) linmin: converged after 3 iterations. - iteration 88: trace = 2.533014413116766 (0.000742009% change) + iteration 91: trace = 2.532972368206849 (0.000152043% change) + large trace change predicted (0.000749659%) linmin: converged after 4 iterations. - iteration 89: trace = 2.53300139548469 (0.00051392% change) + iteration 92: trace = 2.532953393381009 (0.000749116% change) + linmin: converged after 5 iterations. + iteration 93: trace = 2.532934932563125 (0.000728828% change) + linmin: converged after 5 iterations. + iteration 94: trace = 2.532926904045018 (0.000316966% change) + large trace change predicted (0.00178256%) linmin: converged after 4 iterations. - iteration 90: trace = 2.53297623352843 (0.00099337% change) - linmin: converged after 3 iterations. - iteration 91: trace = 2.532972382311616 (0.000152043% change) - large trace change predicted (0.000749633%) - linmin: converged after 6 iterations. - iteration 92: trace = 2.532953408161689 (0.000749089% change) + iteration 95: trace = 2.532881933028448 (0.00177547% change) linmin: converged after 4 iterations. - iteration 93: trace = 2.532934947778483 (0.000728811% change) + iteration 96: trace = 2.532858289057396 (0.000933485% change) linmin: converged after 4 iterations. - iteration 94: trace = 2.532926920734985 (0.000316907% change) - large trace change predicted (0.00178259%) + iteration 97: trace = 2.532819799965896 (0.0015196% change) + linmin: converged after 5 iterations. + iteration 98: trace = 2.532786118739466 (0.0013298% change) linmin: converged after 4 iterations. - iteration 95: trace = 2.532881948782389 (0.00177551% change) + iteration 99: trace = 2.532774284196534 (0.000467255% change) + large trace change predicted (0.00101649%) linmin: converged after 4 iterations. - iteration 96: trace = 2.532858314027711 (0.000933121% change) - linmin: converged after 3 iterations. - iteration 97: trace = 2.532819821785889 (0.00151973% change) + iteration 100: trace = 2.532748583642743 (0.00101472% change) linmin: converged after 4 iterations. - iteration 98: trace = 2.532786169467268 (0.00132866% change) - linmin: converged after 7 iterations. - iteration 99: trace = 2.532774323054985 (0.000467724% change) - large trace change predicted (0.00101699%) - linmin: converged after 5 iterations. - iteration 100: trace = 2.532748610017113 (0.00101522% change) - linmin: converged after 10 iterations. - iteration 101: trace = 2.532735591407811 (0.000514012% change) + iteration 101: trace = 2.532735562895839 (0.000514097% change) + linmin: converged after 11 iterations. + iteration 102: trace = 2.532725951451093 (0.000379489% change) linmin: converged after 6 iterations. - iteration 102: trace = 2.53272596494108 (0.000380083% change) + iteration 103: trace = 2.532712938680911 (0.000513786% change) linmin: converged after 3 iterations. - iteration 103: trace = 2.532712960913022 (0.000513441% change) + iteration 104: trace = 2.532704557851714 (0.000330904% change) linmin: converged after 3 iterations. - iteration 104: trace = 2.532704595744002 (0.000330285% change) + iteration 105: trace = 2.532697426162028 (0.000281584% change) + large trace change predicted (0.000635238%) linmin: converged after 3 iterations. - iteration 105: trace = 2.532697442671518 (0.000282429% change) - large trace change predicted (0.000634618%) + iteration 106: trace = 2.532681345074238 (0.000634941% change) + linmin: converged after 4 iterations. + iteration 107: trace = 2.532678248934824 (0.000122248% change) + large trace change predicted (0.000365724%) linmin: converged after 3 iterations. - iteration 106: trace = 2.532681377273767 (0.000634322% change) + iteration 108: trace = 2.532668988110461 (0.000365654% change) linmin: converged after 3 iterations. - iteration 107: trace = 2.532678264492637 (0.000122905% change) - large trace change predicted (0.000365881%) + iteration 109: trace = 2.532662567397054 (0.000253516% change) linmin: converged after 3 iterations. - iteration 108: trace = 2.53266899969015 (0.000365811% change) + iteration 110: trace = 2.532659598682097 (0.000117217% change) + large trace change predicted (0.000484669%) linmin: converged after 3 iterations. - iteration 109: trace = 2.53266259492811 (0.000252886% change) - linmin: converged after 7 iterations. - iteration 110: trace = 2.532659614140498 (0.000117694% change) - large trace change predicted (0.00048464%) + iteration 111: trace = 2.532647319831644 (0.000484822% change) + linmin: converged after 14 iterations. + iteration 112: trace = 2.53264298822557 (0.000171031% change) + large trace change predicted (0.00118987%) linmin: converged after 4 iterations. - iteration 111: trace = 2.532647336020611 (0.000484793% change) - linmin: converged after 5 iterations. - iteration 112: trace = 2.532643035903972 (0.000169788% change) - large trace change predicted (0.00119129%) + iteration 113: trace = 2.532612835159672 (0.00119058% change) linmin: converged after 3 iterations. - iteration 113: trace = 2.532612846800416 (0.00119201% change) + iteration 114: trace = 2.532592031033596 (0.000821453% change) linmin: converged after 3 iterations. - iteration 114: trace = 2.532592063234743 (0.000820641% change) + iteration 115: trace = 2.532581453022837 (0.000417676% change) + large trace change predicted (0.00102411%) linmin: converged after 3 iterations. - iteration 115: trace = 2.532581469721721 (0.000418288% change) - large trace change predicted (0.00102424%) + iteration 116: trace = 2.532555486651033 (0.0010253% change) linmin: converged after 3 iterations. - iteration 116: trace = 2.532555499922985 (0.00102543% change) - linmin: converged after 6 iterations. - iteration 117: trace = 2.532535056413251 (0.000807232% change) + iteration 117: trace = 2.532535011699059 (0.000808473% change) linmin: converged after 3 iterations. - iteration 118: trace = 2.532524469432566 (0.00041804% change) - large trace change predicted (0.000840288%) + iteration 118: trace = 2.532524459181053 (0.000416679% change) + large trace change predicted (0.000840408%) linmin: converged after 3 iterations. - iteration 119: trace = 2.532503184848721 (0.000840453% change) - linmin: converged after 3 iterations. - iteration 120: trace = 2.532499366164758 (0.000150787% change) - large trace change predicted (0.00042853%) - linmin: converged after 4 iterations. - iteration 121: trace = 2.532488511531764 (0.000428614% change) - linmin: converged after 4 iterations. - iteration 122: trace = 2.532482095951782 (0.000253331% change) + iteration 119: trace = 2.532503171518405 (0.000840574% change) + linmin: converged after 5 iterations. + iteration 120: trace = 2.532499349825846 (0.000150906% change) + large trace change predicted (0.000428151%) linmin: converged after 4 iterations. - iteration 123: trace = 2.532479992867226 (8.30444e-05% change) - large trace change predicted (0.000283731%) - linmin: converged after 3 iterations. - iteration 124: trace = 2.53247280384149 (0.000283873% change) + iteration 121: trace = 2.532488504792126 (0.000428235% change) linmin: converged after 3 iterations. - iteration 125: trace = 2.532467484148865 (0.000210059% change) + iteration 122: trace = 2.5324820806421 (0.00025367% change) linmin: converged after 3 iterations. - iteration 126: trace = 2.532465651311215 (7.23736e-05% change) - large trace change predicted (0.000445416%) + iteration 123: trace = 2.532479981069593 (8.29058e-05% change) + large trace change predicted (0.000283578%) linmin: converged after 3 iterations. - iteration 127: trace = 2.532454353763157 (0.00044611% change) + iteration 124: trace = 2.532472795920145 (0.00028372% change) linmin: converged after 3 iterations. - iteration 128: trace = 2.532452272749749 (8.21738e-05% change) - large trace change predicted (0.000327514%) + iteration 125: trace = 2.532467477117615 (0.000210024% change) linmin: converged after 3 iterations. - iteration 129: trace = 2.532443972834015 (0.000327743% change) - linmin: converged after 4 iterations. - iteration 130: trace = 2.532434385947424 (0.000378563% change) + iteration 126: trace = 2.532465645210785 (7.23369e-05% change) + large trace change predicted (0.000445682%) linmin: converged after 3 iterations. - iteration 131: trace = 2.53243172126282 (0.000105222% change) - large trace change predicted (0.00050799%) + iteration 127: trace = 2.532454340941506 (0.000446375% change) + linmin: converged after 9 iterations. + iteration 128: trace = 2.532452177543906 (8.5427e-05% change) + large trace change predicted (0.000324387%) linmin: converged after 4 iterations. - iteration 132: trace = 2.532418839054643 (0.000508691% change) + iteration 129: trace = 2.532443956418566 (0.000324632% change) linmin: converged after 4 iterations. - iteration 133: trace = 2.532413400841182 (0.000214744% change) - large trace change predicted (0.000485106%) + iteration 130: trace = 2.53243424083338 (0.000383645% change) linmin: converged after 3 iterations. - iteration 134: trace = 2.532401111138083 (0.000485297% change) + iteration 131: trace = 2.53243164638056 (0.000102449% change) + large trace change predicted (0.000505354%) + linmin: converged after 7 iterations. + iteration 132: trace = 2.532418831681264 (0.000506025% change) linmin: converged after 5 iterations. - iteration 135: trace = 2.532386155966053 (0.000590555% change) - linmin: converged after 4 iterations. - iteration 136: trace = 2.532381543521632 (0.000182138% change) + iteration 133: trace = 2.532413324316237 (0.000217475% change) + large trace change predicted (0.000482499%) linmin: converged after 3 iterations. - iteration 137: trace = 2.532372871851896 (0.000342432% change) + iteration 134: trace = 2.532401100727014 (0.000482687% change) + linmin: converged after 5 iterations. + iteration 135: trace = 2.532386129859573 (0.000591175% change) linmin: converged after 3 iterations. - iteration 138: trace = 2.532367991177046 (0.000192731% change) + iteration 136: trace = 2.532381527514203 (0.00018174% change) linmin: converged after 3 iterations. - iteration 139: trace = 2.532366691649195 (5.13167e-05% change) - resetting CG direction... - linmin: converged after 5 iterations. - iteration 140: trace = 2.532365682102617 (3.98657e-05% change) + iteration 137: trace = 2.532372866878987 (0.000341996% change) linmin: converged after 3 iterations. - iteration 141: trace = 2.532363841843478 (7.26696e-05% change) + iteration 138: trace = 2.532367982270689 (0.000192887% change) linmin: converged after 3 iterations. - iteration 142: trace = 2.532361033830604 (0.000110885% change) + iteration 139: trace = 2.532366685012787 (5.12271e-05% change) + resetting CG direction... linmin: converged after 4 iterations. - iteration 143: trace = 2.532359827253318 (4.76463e-05% change) - large trace change predicted (0.000180915%) + iteration 140: trace = 2.532365676810851 (3.98126e-05% change) linmin: converged after 4 iterations. - iteration 144: trace = 2.532355246384728 (0.000180893% change) + iteration 141: trace = 2.532363834335784 (7.27571e-05% change) linmin: converged after 3 iterations. - iteration 145: trace = 2.532352431420141 (0.00011116% change) + iteration 142: trace = 2.532361024235449 (0.000110968% change) + linmin: converged after 4 iterations. + iteration 143: trace = 2.532359817458115 (4.76542e-05% change) + large trace change predicted (0.00018091%) linmin: converged after 3 iterations. - iteration 146: trace = 2.532349386068224 (0.000120258% change) + iteration 144: trace = 2.532355236725657 (0.000180888% change) linmin: converged after 3 iterations. - iteration 147: trace = 2.532343690244271 (0.000224923% change) + iteration 145: trace = 2.532352405731791 (0.000111793% change) + linmin: converged after 5 iterations. + iteration 146: trace = 2.532349374394558 (0.000119704% change) linmin: converged after 3 iterations. - iteration 148: trace = 2.532342311997953 (5.44257e-05% change) - large trace change predicted (0.000211673%) + iteration 147: trace = 2.532343658579336 (0.000225712% change) linmin: converged after 3 iterations. - iteration 149: trace = 2.532336953495586 (0.000211603% change) + iteration 148: trace = 2.532342292065917 (5.39624e-05% change) + large trace change predicted (0.000211226%) linmin: converged after 3 iterations. - iteration 150: trace = 2.532333398748359 (0.000140374% change) + iteration 149: trace = 2.532336944830829 (0.000211158% change) linmin: converged after 3 iterations. - iteration 151: trace = 2.53233206340305 (5.27318e-05% change) - large trace change predicted (0.000151583%) - linmin: converged after 4 iterations. - iteration 152: trace = 2.532328227235385 (0.000151488% change) + iteration 150: trace = 2.532333398523019 (0.000140041% change) linmin: converged after 3 iterations. - iteration 153: trace = 2.532325504192802 (0.000107531% change) + iteration 151: trace = 2.532332055353862 (5.30408e-05% change) + large trace change predicted (0.000151492%) linmin: converged after 9 iterations. - iteration 154: trace = 2.532323601371002 (7.51413e-05% change) - linmin: converged after 10 iterations. - iteration 155: trace = 2.532320459830568 (0.000124058% change) + iteration 152: trace = 2.532328221485232 (0.000151397% change) + linmin: converged after 5 iterations. + iteration 153: trace = 2.532325525827856 (0.00010645% change) + linmin: converged after 3 iterations. + iteration 154: trace = 2.532323594446903 (7.62691e-05% change) + linmin: converged after 6 iterations. + iteration 155: trace = 2.532320451498342 (0.000124113% change) linmin: converged after 3 iterations. - iteration 156: trace = 2.532319680363335 (3.07808e-05% change) + iteration 156: trace = 2.532319673300178 (3.07306e-05% change) + linmin: converged after 3 iterations. + iteration 157: trace = 2.5323185048918 (4.61399e-05% change) + linmin: converged after 5 iterations. + iteration 158: trace = 2.53231694967464 (6.14148e-05% change) + linmin: converged after 3 iterations. + iteration 159: trace = 2.532316574122455 (1.48304e-05% change) + large trace change predicted (5.32635e-05%) linmin: converged after 4 iterations. - iteration 157: trace = 2.532318510691772 (4.61897e-05% change) + iteration 160: trace = 2.532315225232643 (5.3267e-05% change) linmin: converged after 4 iterations. - iteration 158: trace = 2.532316950800764 (6.15993e-05% change) - linmin: converged after 3 iterations. - iteration 159: trace = 2.532316545711181 (1.59968e-05% change) - large trace change predicted (5.19803e-05%) + iteration 161: trace = 2.532314334958015 (3.51566e-05% change) + linmin: converged after 4 iterations. + iteration 162: trace = 2.532313515304427 (3.23678e-05% change) + large trace change predicted (8.52773e-05%) linmin: converged after 4 iterations. - iteration 160: trace = 2.532315229303383 (5.19843e-05% change) + iteration 163: trace = 2.532311355909556 (8.52736e-05% change) + linmin: converged after 4 iterations. + iteration 164: trace = 2.532309912786702 (5.69884e-05% change) + linmin: converged after 7 iterations. + iteration 165: trace = 2.532308436890903 (5.82826e-05% change) + large trace change predicted (0.000170272%) linmin: converged after 3 iterations. - iteration 161: trace = 2.532314312430767 (3.62069e-05% change) + iteration 166: trace = 2.532304124316002 (0.000170302% change) + linmin: converged after 4 iterations. + iteration 167: trace = 2.532303110523767 (4.00344e-05% change) + large trace change predicted (0.000115724%) linmin: converged after 3 iterations. - iteration 162: trace = 2.532313519350129 (3.13184e-05% change) - large trace change predicted (8.52185e-05%) + iteration 168: trace = 2.532300179549433 (0.000115743% change) + linmin: converged after 9 iterations. + iteration 169: trace = 2.532297894588431 (9.02327e-05% change) linmin: converged after 3 iterations. - iteration 163: trace = 2.532311361450239 (8.52146e-05% change) - linmin: converged after 8 iterations. - iteration 164: trace = 2.532309906699845 (5.74475e-05% change) + iteration 170: trace = 2.53229715577955 (2.91754e-05% change) + large trace change predicted (6.5165e-05%) linmin: converged after 3 iterations. - iteration 165: trace = 2.532308444593908 (5.7738e-05% change) - large trace change predicted (0.000170452%) - linmin: converged after 4 iterations. - iteration 166: trace = 2.532304127446988 (0.000170483% change) + iteration 171: trace = 2.532295505936747 (6.5152e-05% change) + linmin: converged after 5 iterations. + iteration 172: trace = 2.532292988619226 (9.94086e-05% change) linmin: converged after 4 iterations. - iteration 167: trace = 2.532303102007244 (4.04943e-05% change) - large trace change predicted (0.000115221%) + iteration 173: trace = 2.532292308720884 (2.68491e-05% change) + large trace change predicted (8.5281e-05%) linmin: converged after 3 iterations. - iteration 168: trace = 2.532300183750544 (0.000115241% change) + iteration 174: trace = 2.532290148883979 (8.52918e-05% change) linmin: converged after 4 iterations. - iteration 169: trace = 2.532297899414583 (9.0208e-05% change) - linmin: converged after 2 iterations. - iteration 170: trace = 2.532297160907362 (2.91635e-05% change) - large trace change predicted (6.51906e-05%) - linmin: converged after 3 iterations. - iteration 171: trace = 2.532295510443508 (6.51766e-05% change) - linmin: converged after 3 iterations. - iteration 172: trace = 2.532292974814544 (0.000100132% change) + iteration 175: trace = 2.532289538544211 (2.41023e-05% change) + linmin: converged after 5 iterations. + iteration 176: trace = 2.532288398057667 (4.50378e-05% change) linmin: converged after 4 iterations. - iteration 173: trace = 2.532292310079173 (2.62503e-05% change) - large trace change predicted (8.53907e-05%) + iteration 177: trace = 2.532287662983477 (2.90281e-05% change) linmin: converged after 4 iterations. - iteration 174: trace = 2.532290147413309 (8.54035e-05% change) + iteration 178: trace = 2.532287384030463 (1.10159e-05% change) + large trace change predicted (4.17886e-05%) linmin: converged after 3 iterations. - iteration 175: trace = 2.532289313308759 (3.29387e-05% change) + iteration 179: trace = 2.532286325673657 (4.17945e-05% change) linmin: converged after 4 iterations. - iteration 176: trace = 2.532288395005148 (3.62638e-05% change) + iteration 180: trace = 2.532285494593189 (3.28194e-05% change) linmin: converged after 4 iterations. - iteration 177: trace = 2.532287611764696 (3.09301e-05% change) + iteration 181: trace = 2.532284515659647 (3.86581e-05% change) + large trace change predicted (0.000115484%) linmin: converged after 3 iterations. - iteration 178: trace = 2.532287300796842 (1.22801e-05% change) - large trace change predicted (3.85796e-05%) + iteration 182: trace = 2.532281588389051 (0.000115598% change) linmin: converged after 4 iterations. - iteration 179: trace = 2.532286323773537 (3.85826e-05% change) + iteration 183: trace = 2.532280731339289 (3.3845e-05% change) + large trace change predicted (0.000115852%) + linmin: converged after 3 iterations. + iteration 184: trace = 2.532277793961742 (0.000115997% change) linmin: converged after 5 iterations. - iteration 180: trace = 2.532284993557319 (5.25303e-05% change) + iteration 185: trace = 2.532274811752687 (0.000117768% change) linmin: converged after 3 iterations. - iteration 181: trace = 2.532284483095969 (2.01581e-05% change) - large trace change predicted (0.000118579%) + iteration 186: trace = 2.532273827569283 (3.88656e-05% change) + large trace change predicted (9.10979e-05%) linmin: converged after 3 iterations. - iteration 182: trace = 2.532281477154776 (0.000118705% change) + iteration 187: trace = 2.532271518608302 (9.11814e-05% change) + linmin: converged after 9 iterations. + iteration 188: trace = 2.532268859072556 (0.000105026% change) + linmin: converged after 7 iterations. + iteration 189: trace = 2.532268200784581 (2.5996e-05% change) + large trace change predicted (0.000110065%) linmin: converged after 3 iterations. - iteration 183: trace = 2.532278647823394 (0.000111731% change) - linmin: converged after 4 iterations. - iteration 184: trace = 2.532277674018113 (3.84557e-05% change) - large trace change predicted (0.000116096%) + iteration 190: trace = 2.53226541300982 (0.00011009% change) linmin: converged after 5 iterations. - iteration 185: trace = 2.532274728164526 (0.000116332% change) + iteration 191: trace = 2.532264804689588 (2.40228e-05% change) + large trace change predicted (5.4496e-05%) linmin: converged after 4 iterations. - iteration 186: trace = 2.53227327613244 (5.7341e-05% change) + iteration 192: trace = 2.532263424555178 (5.4502e-05% change) linmin: converged after 3 iterations. - iteration 187: trace = 2.532271512129673 (6.96609e-05% change) + iteration 193: trace = 2.532262444458792 (3.87044e-05% change) linmin: converged after 4 iterations. - iteration 188: trace = 2.532268544221009 (0.000117203% change) - linmin: converged after 5 iterations. - iteration 189: trace = 2.532267980604649 (2.22574e-05% change) - large trace change predicted (0.000102166%) + iteration 194: trace = 2.53226209188419 (1.39233e-05% change) + large trace change predicted (4.61137e-05%) linmin: converged after 3 iterations. - iteration 190: trace = 2.532265393040538 (0.000102184% change) - linmin: converged after 4 iterations. - iteration 191: trace = 2.532264296108059 (4.33182e-05% change) - linmin: converged after 4 iterations. - iteration 192: trace = 2.532263413125831 (3.48693e-05% change) + iteration 195: trace = 2.532260924352209 (4.61063e-05% change) + linmin: converged after 7 iterations. + iteration 196: trace = 2.532259829332948 (4.32428e-05% change) + linmin: converged after 3 iterations. + iteration 197: trace = 2.532259089790197 (2.92049e-05% change) + linmin: converged after 3 iterations. + iteration 198: trace = 2.532257712304821 (5.43975e-05% change) linmin: converged after 3 iterations. - iteration 193: trace = 2.532262357948994 (4.16693e-05% change) + iteration 199: trace = 2.532257251127184 (1.82121e-05% change) + large trace change predicted (4.60609e-05%) linmin: converged after 3 iterations. - iteration 194: trace = 2.532261780449685 (2.28057e-05% change) + iteration 200: trace = 2.532256085604927 (4.6027e-05% change) + linmin: converged after 5 iterations. + iteration 201: trace = 2.532254569501276 (5.98717e-05% change) + linmin: converged after 4 iterations. + iteration 202: trace = 2.532254026785834 (2.14321e-05% change) + large trace change predicted (7.87882e-05%) linmin: converged after 6 iterations. - iteration 195: trace = 2.532260921097122 (3.39362e-05% change) + iteration 203: trace = 2.532252033521838 (7.8715e-05% change) + linmin: converged after 5 iterations. + iteration 204: trace = 2.532250585036671 (5.72015e-05% change) + linmin: converged after 5 iterations. + iteration 205: trace = 2.532249017324231 (6.19099e-05% change) linmin: converged after 4 iterations. - iteration 196: trace = 2.532259374117901 (6.10908e-05% change) + iteration 206: trace = 2.53224743871638 (6.23402e-05% change) + linmin: converged after 3 iterations. + iteration 207: trace = 2.532246958990442 (1.89447e-05% change) linmin: converged after 4 iterations. - iteration 197: trace = 2.532259063480756 (1.22672e-05% change) - large trace change predicted (5.51749e-05%) + iteration 208: trace = 2.532246407905781 (2.17627e-05% change) + linmin: converged after 3 iterations. + iteration 209: trace = 2.532245335281969 (4.23586e-05% change) + resetting CG direction... + linmin: converged after 3 iterations. + iteration 210: trace = 2.532245139358287 (7.73715e-06% change) + large trace change predicted (1.82516e-05%) linmin: converged after 3 iterations. - iteration 198: trace = 2.532257666917385 (5.51509e-05% change) + iteration 211: trace = 2.532244677186036 (1.82515e-05% change) + linmin: converged after 5 iterations. + iteration 212: trace = 2.532244538349974 (5.48273e-06% change) + large trace change predicted (2.33786e-05%) linmin: converged after 4 iterations. - iteration 199: trace = 2.532256854302601 (3.20905e-05% change) - linmin: converged after 8 iterations. - iteration 200: trace = 2.532256077019117 (3.06953e-05% change) - large trace change predicted (6.61116e-05%) - linmin: converged after 10 iterations. - iteration 201: trace = 2.532254404190157 (6.60608e-05% change) - linmin: converged after 8 iterations. - iteration 202: trace = 2.532253700674978 (2.77822e-05% change) - large trace change predicted (6.65527e-05%) + iteration 213: trace = 2.532243946341441 (2.33788e-05% change) linmin: converged after 4 iterations. - iteration 203: trace = 2.53225201639963 (6.65129e-05% change) - linmin: converged after 5 iterations. - iteration 204: trace = 2.532249373106495 (0.000104385% change) + iteration 214: trace = 2.532243383448582 (2.2229e-05% change) linmin: converged after 4 iterations. - iteration 205: trace = 2.532248947067088 (1.68245e-05% change) - large trace change predicted (6.09808e-05%) + iteration 215: trace = 2.532243145738021 (9.38735e-06% change) + large trace change predicted (2.99234e-05%) + linmin: converged after 3 iterations. + iteration 216: trace = 2.53224238777746 (2.99324e-05% change) linmin: converged after 5 iterations. - iteration 206: trace = 2.532247404156568 (6.09305e-05% change) + iteration 217: trace = 2.532241653231478 (2.90077e-05% change) linmin: converged after 4 iterations. - iteration 207: trace = 2.532246626059952 (3.07275e-05% change) + iteration 218: trace = 2.532241313731444 (1.34071e-05% change) + large trace change predicted (3.45961e-05%) linmin: converged after 4 iterations. - iteration 208: trace = 2.532246396263067 (9.07482e-06% change) - large trace change predicted (4.58302e-05%) + iteration 219: trace = 2.532240437313645 (3.46104e-05% change) + linmin: converged after 6 iterations. + iteration 220: trace = 2.532240012839621 (1.67628e-05% change) linmin: converged after 4 iterations. - iteration 209: trace = 2.532245235961194 (4.58211e-05% change) - resetting CG direction... - linmin: converged after 3 iterations. - iteration 210: trace = 2.532245059590031 (6.96501e-06% change) - large trace change predicted (1.75892e-05%) + iteration 221: trace = 2.532239605926896 (1.60693e-05% change) linmin: converged after 3 iterations. - iteration 211: trace = 2.532244614143417 (1.7591e-05% change) - linmin: converged after 3 iterations. - iteration 212: trace = 2.532244332059582 (1.11397e-05% change) + iteration 222: trace = 2.532238906344066 (2.7627e-05% change) + linmin: converged after 4 iterations. + iteration 223: trace = 2.532238641968419 (1.04404e-05% change) linmin: converged after 3 iterations. - iteration 213: trace = 2.532243961673777 (1.46268e-05% change) + iteration 224: trace = 2.532238128483195 (2.02779e-05% change) + linmin: converged after 4 iterations. + iteration 225: trace = 2.532237562235204 (2.23616e-05% change) linmin: converged after 3 iterations. - iteration 214: trace = 2.532243393266938 (2.24468e-05% change) - linmin: converged after 6 iterations. - iteration 215: trace = 2.532243012965021 (1.50184e-05% change) + iteration 226: trace = 2.53223747827114 (3.31581e-06% change) + large trace change predicted (1.39519e-05%) linmin: converged after 3 iterations. - iteration 216: trace = 2.532242407793118 (2.38987e-05% change) - linmin: converged after 4 iterations. - iteration 217: trace = 2.532241470456622 (3.70161e-05% change) + iteration 227: trace = 2.532237124965676 (1.39523e-05% change) linmin: converged after 3 iterations. - iteration 218: trace = 2.532241258807642 (8.35817e-06% change) - large trace change predicted (3.25093e-05%) + iteration 228: trace = 2.532236936133978 (7.45711e-06% change) + linmin: converged after 2 iterations. + iteration 229: trace = 2.532236834959962 (3.99544e-06% change) + large trace change predicted (1.38839e-05%) linmin: converged after 3 iterations. - iteration 219: trace = 2.532240435246127 (3.2523e-05% change) + iteration 230: trace = 2.532236483416054 (1.38827e-05% change) linmin: converged after 4 iterations. - iteration 220: trace = 2.532239921315042 (2.02955e-05% change) + iteration 231: trace = 2.532236375294598 (4.2698e-06% change) + large trace change predicted (1.3476e-05%) linmin: converged after 4 iterations. - iteration 221: trace = 2.532239613290589 (1.21641e-05% change) - large trace change predicted (2.80455e-05%) - linmin: converged after 4 iterations. - iteration 222: trace = 2.532238902788354 (2.80583e-05% change) + iteration 232: trace = 2.53223603412013 (1.34732e-05% change) + linmin: converged after 8 iterations. + iteration 233: trace = 2.532235602930084 (1.7028e-05% change) linmin: converged after 4 iterations. - iteration 223: trace = 2.532238422859413 (1.89528e-05% change) + iteration 234: trace = 2.532235477423613 (4.95635e-06% change) + large trace change predicted (1.58661e-05%) + linmin: converged after 5 iterations. + iteration 235: trace = 2.53223507576207 (1.58619e-05% change) + linmin: converged after 5 iterations. + iteration 236: trace = 2.532234481632399 (2.34627e-05% change) + linmin: converged after 5 iterations. + iteration 237: trace = 2.532234332072794 (5.90623e-06% change) + large trace change predicted (1.94378e-05%) + linmin: converged after 7 iterations. + iteration 238: trace = 2.532233840084067 (1.9429e-05% change) linmin: converged after 3 iterations. - iteration 224: trace = 2.532238105502279 (1.25327e-05% change) + iteration 239: trace = 2.532233643267795 (7.77244e-06% change) linmin: converged after 3 iterations. - iteration 225: trace = 2.532237512758263 (2.34079e-05% change) - linmin: converged after 9 iterations. - iteration 226: trace = 2.532237422475582 (3.56533e-06% change) - large trace change predicted (1.22361e-05%) - linmin: converged after 2 iterations. - iteration 227: trace = 2.532237112625669 (1.22362e-05% change) + iteration 240: trace = 2.532233571945218 (2.81659e-06% change) + large trace change predicted (8.22188e-06%) + linmin: converged after 3 iterations. + iteration 241: trace = 2.532233363786011 (8.22038e-06% change) + linmin: converged after 3 iterations. + iteration 242: trace = 2.532233267328319 (3.80919e-06% change) linmin: converged after 4 iterations. - iteration 228: trace = 2.532236922691033 (7.50067e-06% change) + iteration 243: trace = 2.532233176650381 (3.58095e-06% change) + linmin: converged after 6 iterations. + iteration 244: trace = 2.53223300779893 (6.66808e-06% change) linmin: converged after 5 iterations. - iteration 229: trace = 2.53223683133392 (3.60776e-06% change) - large trace change predicted (1.4599e-05%) + iteration 245: trace = 2.532232949566192 (2.29966e-06% change) + large trace change predicted (4.94237e-06%) + linmin: converged after 12 iterations. + iteration 246: trace = 2.53223282442376 (4.94198e-06% change) linmin: converged after 4 iterations. - iteration 230: trace = 2.5322364616746 (1.45981e-05% change) - linmin: converged after 5 iterations. - iteration 231: trace = 2.532236386820632 (2.95604e-06% change) - large trace change predicted (1.50446e-05%) + iteration 247: trace = 2.5322326830589 (5.58262e-06% change) linmin: converged after 4 iterations. - iteration 232: trace = 2.532236005902005 (1.50428e-05% change) - linmin: converged after 5 iterations. - iteration 233: trace = 2.532235567443446 (1.73151e-05% change) + iteration 248: trace = 2.532232637218954 (1.81026e-06% change) + large trace change predicted (5.18277e-06%) linmin: converged after 3 iterations. - iteration 234: trace = 2.532235324936102 (9.57681e-06% change) + iteration 249: trace = 2.53223250599145 (5.18228e-06% change) + linmin: converged after 21 iterations. + iteration 250: trace = 2.532232436371582 (2.74935e-06% change) linmin: converged after 4 iterations. - iteration 235: trace = 2.532235061093175 (1.04194e-05% change) - large trace change predicted (2.33799e-05%) - linmin: converged after 9 iterations. - iteration 236: trace = 2.532234469416107 (2.33658e-05% change) + iteration 251: trace = 2.532232335099011 (3.99934e-06% change) + large trace change predicted (1.15194e-05%) + linmin: converged after 3 iterations. + iteration 252: trace = 2.532232043423567 (1.15185e-05% change) linmin: converged after 6 iterations. - iteration 237: trace = 2.532234292981712 (6.96754e-06% change) - large trace change predicted (1.92204e-05%) - linmin: converged after 7 iterations. - iteration 238: trace = 2.532233806503822 (1.92114e-05% change) - linmin: converged after 13 iterations. - iteration 239: trace = 2.532233567780011 (9.4274e-06% change) + iteration 253: trace = 2.532231974098804 (2.73769e-06% change) + large trace change predicted (1.3097e-05%) + linmin: converged after 10 iterations. + iteration 254: trace = 2.532231642493326 (1.30954e-05% change) linmin: converged after 3 iterations. - iteration 240: trace = 2.532233518761116 (1.9358e-06% change) - large trace change predicted (7.97524e-06%) - linmin: converged after 4 iterations. - iteration 241: trace = 2.532233316834005 (7.97427e-06% change) - linmin: converged after 8 iterations. - iteration 242: trace = 2.53223322602904 (3.58596e-06% change) + iteration 255: trace = 2.532231411621173 (9.11734e-06% change) + linmin: converged after 3 iterations. + iteration 256: trace = 2.532231342273268 (2.73861e-06% change) linmin: converged after 6 iterations. - iteration 243: trace = 2.532233139352723 (3.42292e-06% change) - linmin: converged after 4 iterations. - iteration 244: trace = 2.532232981391485 (6.23802e-06% change) + iteration 257: trace = 2.532231213919724 (5.06879e-06% change) + linmin: converged after 10 iterations. + iteration 258: trace = 2.532231100469382 (4.48025e-06% change) linmin: converged after 3 iterations. - iteration 245: trace = 2.532232941782683 (1.56418e-06% change) - large trace change predicted (5.80942e-06%) - linmin: converged after 8 iterations. - iteration 246: trace = 2.532232794675251 (5.8094e-06% change) - linmin: converged after 2 iterations. - iteration 247: trace = 2.532232655634834 (5.49082e-06% change) - linmin: converged after 4 iterations. - iteration 248: trace = 2.53223260224804 (2.10829e-06% change) - large trace change predicted (4.67847e-06%) - linmin: converged after 4 iterations. - iteration 249: trace = 2.532232483784177 (4.67824e-06% change) + iteration 259: trace = 2.532231044404385 (2.21406e-06% change) linmin: converged after 5 iterations. - iteration 250: trace = 2.532232362957225 (4.77156e-06% change) - linmin: converged after 4 iterations. - iteration 251: trace = 2.532232303957449 (2.32995e-06% change) - large trace change predicted (1.13682e-05%) + iteration 260: trace = 2.532230945544365 (3.90407e-06% change) + linmin: converged after 28 iterations. + iteration 261: trace = 2.532230902684509 (1.69257e-06% change) linmin: converged after 5 iterations. - iteration 252: trace = 2.5322320160995 (1.13678e-05% change) - linmin: converged after 3 iterations. - iteration 253: trace = 2.532231912547643 (4.08935e-06% change) - large trace change predicted (1.08339e-05%) - linmin: converged after 7 iterations. - iteration 254: trace = 2.532231638229019 (1.08331e-05% change) - linmin: converged after 3 iterations. - iteration 255: trace = 2.532231403565604 (9.26706e-06% change) - linmin: converged after 21 iterations. - iteration 256: trace = 2.532231277094745 (4.99444e-06% change) + iteration 262: trace = 2.532230860660883 (1.65955e-06% change) + linmin: converged after 22 iterations. + iteration 263: trace = 2.532230777895589 (3.26847e-06% change) linmin: converged after 4 iterations. - iteration 257: trace = 2.532231194338745 (3.26811e-06% change) - linmin: converged after 13 iterations. - iteration 258: trace = 2.532231046316252 (5.84554e-06% change) + iteration 264: trace = 2.532230715151799 (2.47781e-06% change) linmin: converged after 5 iterations. - iteration 259: trace = 2.532231016811047 (1.16519e-06% change) - large trace change predicted (3.74982e-06%) - linmin: converged after 4 iterations. - iteration 260: trace = 2.532230921855036 (3.7499e-06% change) - linmin: converged after 23 iterations. - iteration 261: trace = 2.532230862689733 (2.33649e-06% change) + iteration 265: trace = 2.532230666797587 (1.90955e-06% change) + large trace change predicted (5.50008e-06%) linmin: converged after 5 iterations. - iteration 262: trace = 2.53223083873709 (9.45911e-07% change) - large trace change predicted (3.12221e-06%) - linmin: converged after 23 iterations. - iteration 263: trace = 2.532230759671736 (3.12236e-06% change) - linmin: converged after 15 iterations. - iteration 264: trace = 2.532230696501678 (2.49464e-06% change) - linmin: converged after 7 iterations. - iteration 265: trace = 2.532230652826942 (1.72475e-06% change) - large trace change predicted (5.88601e-06%) + iteration 266: trace = 2.532230527508176 (5.50066e-06% change) linmin: converged after 4 iterations. - iteration 266: trace = 2.532230503763672 (5.88664e-06% change) + iteration 267: trace = 2.532230488749472 (1.53062e-06% change) + large trace change predicted (7.07304e-06%) + linmin: converged after 8 iterations. + iteration 268: trace = 2.532230309624492 (7.0738e-06% change) linmin: converged after 5 iterations. - iteration 267: trace = 2.532230416800177 (3.43426e-06% change) - linmin: converged after 6 iterations. - iteration 268: trace = 2.532230282776104 (5.29273e-06% change) - linmin: converged after 4 iterations. - iteration 269: trace = 2.532230176448649 (4.19896e-06% change) - linmin: converged after 4 iterations. - iteration 270: trace = 2.532230129390047 (1.85839e-06% change) - large trace change predicted (5.01005e-06%) - linmin: converged after 2 iterations. - iteration 271: trace = 2.532230002519866 (5.01022e-06% change) + iteration 269: trace = 2.532230216893321 (3.66204e-06% change) linmin: converged after 3 iterations. - iteration 272: trace = 2.532229868163668 (5.30585e-06% change) + iteration 270: trace = 2.53223017053253 (1.83083e-06% change) + large trace change predicted (5.67765e-06%) linmin: converged after 4 iterations. - iteration 273: trace = 2.532229779225418 (3.51225e-06% change) - linmin: converged after 2 iterations. - iteration 274: trace = 2.532229649583122 (5.11969e-06% change) - linmin: converged after 11 iterations. - iteration 275: trace = 2.532229621422921 (1.11207e-06% change) - large trace change predicted (4.14646e-06%) - linmin: converged after 9 iterations. - iteration 276: trace = 2.532229516420666 (4.14663e-06% change) - linmin: converged after 13 iterations. - iteration 277: trace = 2.53222945506614 (2.42294e-06% change) - linmin: converged after 3 iterations. - iteration 278: trace = 2.53222943390973 (8.35485e-07% change) - large trace change predicted (2.24224e-06%) + iteration 271: trace = 2.532230026749009 (5.67814e-06% change) linmin: converged after 4 iterations. - iteration 279: trace = 2.532229377130915 (2.24225e-06% change) - resetting CG direction... + iteration 272: trace = 2.532229910758133 (4.58058e-06% change) linmin: converged after 4 iterations. - iteration 280: trace = 2.532229338167026 (1.53872e-06% change) - linmin: converged after 16 iterations. - iteration 281: trace = 2.532229324037591 (5.57984e-07% change) - large trace change predicted (1.92946e-06%) - linmin: converged after 3 iterations. - iteration 282: trace = 2.532229275178154 (1.9295e-06% change) + iteration 273: trace = 2.532229797567779 (4.46999e-06% change) linmin: converged after 4 iterations. - iteration 283: trace = 2.532229224933658 (1.9842e-06% change) - linmin: converged after 27 iterations. - iteration 284: trace = 2.532229195756853 (1.15222e-06% change) - large trace change predicted (3.43235e-06%) + iteration 274: trace = 2.532229657794582 (5.51977e-06% change) + linmin: converged after 20 iterations. + iteration 275: trace = 2.532229629762407 (1.10702e-06% change) + large trace change predicted (4.02216e-06%) + linmin: converged after 3 iterations. + iteration 276: trace = 2.532229527911346 (4.02219e-06% change) linmin: converged after 8 iterations. - iteration 285: trace = 2.532229108837616 (3.43252e-06% change) + iteration 277: trace = 2.53222947781164 (1.97848e-06% change) + linmin: converged after 3 iterations. + iteration 278: trace = 2.532229458420573 (7.65771e-07% change) + large trace change predicted (2.90496e-06%) + linmin: converged after 17 iterations. + iteration 279: trace = 2.532229384861703 (2.90491e-06% change) + resetting CG direction... + linmin: converged after 9 iterations. + iteration 280: trace = 2.532229348033475 (1.45438e-06% change) + linmin: converged after 12 iterations. + iteration 281: trace = 2.5322293260642 (8.67586e-07% change) + large trace change predicted (1.82754e-06%) + linmin: converged after 6 iterations. + iteration 282: trace = 2.532229279784908 (1.82761e-06% change) + linmin: converged after 18 iterations. + iteration 283: trace = 2.532229245285373 (1.36242e-06% change) linmin: converged after 8 iterations. - iteration 286: trace = 2.532229070906173 (1.49795e-06% change) - linmin: converged after 15 iterations. - iteration 287: trace = 2.532229005434425 (2.58554e-06% change) + iteration 284: trace = 2.532229202686687 (1.68226e-06% change) + large trace change predicted (3.40009e-06%) + linmin: converged after 3 iterations. + iteration 285: trace = 2.532229116583692 (3.40028e-06% change) + linmin: converged after 3 iterations. + iteration 286: trace = 2.532229097916427 (7.37187e-07% change) + large trace change predicted (3.46112e-06%) + linmin: converged after 11 iterations. + iteration 287: trace = 2.532229010271004 (3.4612e-06% change) + linmin: converged after 3 iterations. + iteration 288: trace = 2.532228959310074 (2.01249e-06% change) + linmin: converged after 5 iterations. + iteration 289: trace = 2.532228881676246 (3.06583e-06% change) + linmin: converged after 6 iterations. + iteration 290: trace = 2.532228815466783 (2.61467e-06% change) + linmin: converged after 3 iterations. + iteration 291: trace = 2.532228788946766 (1.0473e-06% change) + large trace change predicted (2.30825e-06%) + linmin: converged after 7 iterations. + iteration 292: trace = 2.532228730502755 (2.30801e-06% change) + linmin: converged after 5 iterations. + iteration 293: trace = 2.532228658281355 (2.85209e-06% change) + linmin: converged after 24 iterations. + iteration 294: trace = 2.532228646153969 (4.78921e-07% change) + large trace change predicted (2.74951e-06%) + linmin: converged after 5 iterations. + iteration 295: trace = 2.532228576537389 (2.74922e-06% change) linmin: converged after 4 iterations. - iteration 288: trace = 2.532228912261696 (3.67947e-06% change) + iteration 296: trace = 2.532228558790983 (7.00822e-07% change) linmin: converged after 4 iterations. - iteration 289: trace = 2.532228878857018 (1.31918e-06% change) + iteration 297: trace = 2.532228538315605 (8.08591e-07% change) linmin: converged after 4 iterations. - iteration 290: trace = 2.532228814352874 (2.54733e-06% change) + iteration 298: trace = 2.532228511205662 (1.0706e-06% change) linmin: converged after 11 iterations. - iteration 291: trace = 2.532228759006485 (2.18568e-06% change) - linmin: converged after 4 iterations. - iteration 292: trace = 2.5322287287148 (1.19625e-06% change) - large trace change predicted (2.94799e-06%) - linmin: converged after 4 iterations. - iteration 293: trace = 2.532228654071961 (2.94771e-06% change) + iteration 299: trace = 2.532228498653559 (4.95694e-07% change) + large trace change predicted (1.10316e-06%) + linmin: converged after 13 iterations. + iteration 300: trace = 2.532228470719239 (1.10315e-06% change) linmin: converged after 4 iterations. - iteration 294: trace = 2.532228630826729 (9.17975e-07% change) - large trace change predicted (2.12091e-06%) - linmin: converged after 3 iterations. - iteration 295: trace = 2.532228577125554 (2.12071e-06% change) + iteration 301: trace = 2.532228422606849 (1.9e-06% change) linmin: converged after 10 iterations. - iteration 296: trace = 2.532228551953613 (9.94063e-07% change) - linmin: converged after 5 iterations. - iteration 297: trace = 2.532228539632578 (4.86569e-07% change) - large trace change predicted (1.10488e-06%) + iteration 302: trace = 2.532228405815613 (6.63101e-07% change) + large trace change predicted (1.90183e-06%) + linmin: converged after 16 iterations. + iteration 303: trace = 2.53222835765854 (1.90177e-06% change) + linmin: converged after 3 iterations. + iteration 304: trace = 2.53222829226838 (2.58232e-06% change) linmin: converged after 4 iterations. - iteration 298: trace = 2.532228511654962 (1.10486e-06% change) - linmin: converged after 7 iterations. - iteration 299: trace = 2.532228480410223 (1.23388e-06% change) + iteration 305: trace = 2.532228269718528 (8.90514e-07% change) + large trace change predicted (2.42132e-06%) linmin: converged after 3 iterations. - iteration 300: trace = 2.532228471096156 (3.67821e-07% change) - large trace change predicted (1.74133e-06%) + iteration 306: trace = 2.532228208409979 (2.42113e-06% change) linmin: converged after 4 iterations. - iteration 301: trace = 2.532228427004013 (1.74124e-06% change) + iteration 307: trace = 2.53222813879717 (2.74907e-06% change) + linmin: converged after 6 iterations. + iteration 308: trace = 2.532228126853486 (4.71667e-07% change) + large trace change predicted (1.65233e-06%) + linmin: converged after 5 iterations. + iteration 309: trace = 2.532228085012441 (1.65234e-06% change) + linmin: converged after 19 iterations. + iteration 310: trace = 2.532228057409258 (1.09007e-06% change) + linmin: converged after 3 iterations. + iteration 311: trace = 2.532228038747103 (7.36986e-07% change) linmin: converged after 7 iterations. - iteration 302: trace = 2.532228385689038 (1.63157e-06% change) + iteration 312: trace = 2.532228023511104 (6.01684e-07% change) + large trace change predicted (1.54689e-06%) linmin: converged after 4 iterations. - iteration 303: trace = 2.532228360133651 (1.00921e-06% change) - large trace change predicted (2.41428e-06%) + iteration 313: trace = 2.532227984339899 (1.54691e-06% change) linmin: converged after 7 iterations. - iteration 304: trace = 2.532228299004506 (2.41405e-06% change) - linmin: converged after 3 iterations. - iteration 305: trace = 2.532228261234704 (1.49156e-06% change) - linmin: converged after 3 iterations. - iteration 306: trace = 2.53222820816014 (2.09596e-06% change) - linmin: converged after 13 iterations. - iteration 307: trace = 2.532228137110495 (2.80582e-06% change) + iteration 314: trace = 2.53222797724343 (2.80246e-07% change) + large trace change predicted (1.70891e-06%) + linmin: converged after 19 iterations. + iteration 315: trace = 2.532227933968433 (1.70897e-06% change) + linmin: converged after 4 iterations. + iteration 316: trace = 2.532227904464893 (1.16512e-06% change) linmin: converged after 6 iterations. - iteration 308: trace = 2.532228114967864 (8.74433e-07% change) - linmin: converged after 12 iterations. - iteration 309: trace = 2.532228086783509 (1.11303e-06% change) - linmin: converged after 22 iterations. - iteration 310: trace = 2.532228061682376 (9.91267e-07% change) - linmin: converged after 18 iterations. - iteration 311: trace = 2.532228031642422 (1.18631e-06% change) - linmin: converged after 12 iterations. - iteration 312: trace = 2.532228022868124 (3.46505e-07% change) - large trace change predicted (1.6377e-06%) - linmin: converged after 2 iterations. - iteration 313: trace = 2.532227981397549 (1.63771e-06% change) - linmin: converged after 7 iterations. - iteration 314: trace = 2.532227972677866 (3.44348e-07% change) - large trace change predicted (1.54265e-06%) - linmin: converged after 9 iterations. - iteration 315: trace = 2.532227933613569 (1.54268e-06% change) + iteration 317: trace = 2.532227888341272 (6.36737e-07% change) + large trace change predicted (1.59985e-06%) linmin: converged after 6 iterations. - iteration 316: trace = 2.532227901120616 (1.28318e-06% change) + iteration 318: trace = 2.532227847823994 (1.60006e-06% change) linmin: converged after 4 iterations. - iteration 317: trace = 2.532227888180187 (5.11029e-07% change) - large trace change predicted (1.51822e-06%) - linmin: converged after 10 iterations. - iteration 318: trace = 2.532227849732482 (1.51834e-06% change) - linmin: converged after 2 iterations. - iteration 319: trace = 2.532227811599739 (1.5059e-06% change) - linmin: converged after 3 iterations. - iteration 320: trace = 2.532227794595986 (6.71494e-07% change) - large trace change predicted (2.84518e-06%) - linmin: converged after 7 iterations. - iteration 321: trace = 2.532227722540139 (2.84555e-06% change) - linmin: converged after 3 iterations. - iteration 322: trace = 2.532227687567286 (1.38111e-06% change) - linmin: converged after 5 iterations. - iteration 323: trace = 2.532227638964866 (1.91935e-06% change) + iteration 319: trace = 2.532227821273618 (1.0485e-06% change) linmin: converged after 4 iterations. - iteration 324: trace = 2.532227586592549 (2.06823e-06% change) - linmin: converged after 12 iterations. - iteration 325: trace = 2.53222757240693 (5.60203e-07% change) + iteration 320: trace = 2.532227790738156 (1.20587e-06% change) + large trace change predicted (2.78673e-06%) + linmin: converged after 6 iterations. + iteration 321: trace = 2.532227720162813 (2.78709e-06% change) linmin: converged after 5 iterations. - iteration 326: trace = 2.532227544172079 (1.11502e-06% change) - linmin: converged after 2 iterations. - iteration 327: trace = 2.532227512219513 (1.26184e-06% change) - linmin: converged after 7 iterations. - iteration 328: trace = 2.532227505887205 (2.50069e-07% change) - large trace change predicted (1.12493e-06%) - linmin: converged after 4 iterations. - iteration 329: trace = 2.53222747740137 (1.12493e-06% change) + iteration 322: trace = 2.532227702618056 (6.92859e-07% change) + large trace change predicted (2.32517e-06%) linmin: converged after 4 iterations. - iteration 330: trace = 2.532227469121269 (3.26989e-07% change) - large trace change predicted (1.07819e-06%) - linmin: converged after 3 iterations. - iteration 331: trace = 2.532227441820332 (1.07814e-06% change) - linmin: converged after 5 iterations. - iteration 332: trace = 2.532227419392461 (8.85697e-07% change) - linmin: converged after 5 iterations. - iteration 333: trace = 2.532227407145195 (4.83656e-07% change) - large trace change predicted (1.26341e-06%) + iteration 323: trace = 2.532227643731083 (2.3255e-06% change) + linmin: converged after 7 iterations. + iteration 324: trace = 2.532227598203403 (1.79793e-06% change) + linmin: converged after 7 iterations. + iteration 325: trace = 2.53222757665767 (8.50861e-07% change) linmin: converged after 4 iterations. - iteration 334: trace = 2.532227375155252 (1.26331e-06% change) + iteration 326: trace = 2.532227546428281 (1.19379e-06% change) + linmin: converged after 12 iterations. + iteration 327: trace = 2.532227520938513 (1.00661e-06% change) + linmin: converged after 11 iterations. + iteration 328: trace = 2.532227508052391 (5.08885e-07% change) + large trace change predicted (1.09392e-06%) + linmin: converged after 9 iterations. + iteration 329: trace = 2.532227480351921 (1.09392e-06% change) linmin: converged after 7 iterations. - iteration 335: trace = 2.532227321498544 (2.11895e-06% change) - linmin: converged after 3 iterations. - iteration 336: trace = 2.53222730016528 (8.4247e-07% change) - large trace change predicted (2.31631e-06%) + iteration 330: trace = 2.532227474206512 (2.42688e-07% change) + large trace change predicted (1.25267e-06%) + linmin: converged after 4 iterations. + iteration 331: trace = 2.532227442486797 (1.25264e-06% change) linmin: converged after 5 iterations. - iteration 337: trace = 2.53222724152096 (2.31592e-06% change) + iteration 332: trace = 2.532227421074256 (8.45601e-07% change) + linmin: converged after 8 iterations. + iteration 333: trace = 2.532227410295111 (4.25678e-07% change) + large trace change predicted (1.3335e-06%) linmin: converged after 5 iterations. - iteration 338: trace = 2.532227214136874 (1.08142e-06% change) - linmin: converged after 13 iterations. - iteration 339: trace = 2.532227203806219 (4.07967e-07% change) - large trace change predicted (1.28324e-06%) - linmin: converged after 4 iterations. - iteration 340: trace = 2.532227171313901 (1.28315e-06% change) + iteration 334: trace = 2.532227376530516 (1.3334e-06% change) + linmin: converged after 10 iterations. + iteration 335: trace = 2.53222732651312 (1.97523e-06% change) + linmin: converged after 19 iterations. + iteration 336: trace = 2.532227304608897 (8.65018e-07% change) + large trace change predicted (2.26697e-06%) + linmin: converged after 6 iterations. + iteration 337: trace = 2.532227247211551 (2.26667e-06% change) linmin: converged after 4 iterations. - iteration 341: trace = 2.53222714214733 (1.15181e-06% change) + iteration 338: trace = 2.532227221601431 (1.01137e-06% change) linmin: converged after 11 iterations. - iteration 342: trace = 2.532227132986993 (3.6175e-07% change) - large trace change predicted (9.37405e-07%) + iteration 339: trace = 2.532227209858962 (4.63721e-07% change) + large trace change predicted (1.36702e-06%) + linmin: converged after 6 iterations. + iteration 340: trace = 2.532227175244884 (1.36694e-06% change) linmin: converged after 4 iterations. - iteration 343: trace = 2.532227109250781 (9.37365e-07% change) + iteration 341: trace = 2.532227159406038 (6.25491e-07% change) + linmin: converged after 10 iterations. + iteration 342: trace = 2.532227140691144 (7.39069e-07% change) + linmin: converged after 7 iterations. + iteration 343: trace = 2.532227113962014 (1.05556e-06% change) linmin: converged after 10 iterations. - iteration 344: trace = 2.53222710170186 (2.98114e-07% change) - large trace change predicted (6.41566e-07%) + iteration 344: trace = 2.53222710936678 (1.8147e-07% change) + large trace change predicted (8.59267e-07%) + linmin: converged after 7 iterations. + iteration 345: trace = 2.532227087608853 (8.59241e-07% change) + linmin: converged after 14 iterations. + iteration 346: trace = 2.532227074933876 (5.00547e-07% change) linmin: converged after 5 iterations. - iteration 345: trace = 2.53222708545657 (6.41542e-07% change) - linmin: converged after 4 iterations. - iteration 346: trace = 2.532227074749795 (4.2282e-07% change) - linmin: converged after 25 iterations. - iteration 347: trace = 2.532227070120145 (1.82829e-07% change) + iteration 347: trace = 2.532227069934075 (1.97447e-07% change) linmin: converged after 4 iterations. - iteration 348: trace = 2.532227061347484 (3.46441e-07% change) - large trace change predicted (7.25133e-07%) - linmin: converged after 10 iterations. - iteration 349: trace = 2.532227042985584 (7.25129e-07% change) + iteration 348: trace = 2.532227061783805 (3.21862e-07% change) + large trace change predicted (7.10794e-07%) + linmin: converged after 9 iterations. + iteration 349: trace = 2.532227043784772 (7.10799e-07% change) resetting CG direction... linmin: converged after 3 iterations. - iteration 350: trace = 2.532227032001265 (4.33781e-07% change) + iteration 350: trace = 2.532227033973359 (3.87462e-07% change) linmin: converged after 4 iterations. - iteration 351: trace = 2.532227021355288 (4.2042e-07% change) + iteration 351: trace = 2.532227023301918 (4.21425e-07% change) linmin: converged after 4 iterations. - iteration 352: trace = 2.532227018528629 (1.11627e-07% change) - large trace change predicted (3.55816e-07%) - linmin: converged after 5 iterations. - iteration 353: trace = 2.532227009518536 (3.55817e-07% change) + iteration 352: trace = 2.532227019721105 (1.4141e-07% change) + large trace change predicted (4.00232e-07%) linmin: converged after 3 iterations. - iteration 354: trace = 2.532227000110098 (3.71548e-07% change) - linmin: converged after 16 iterations. - iteration 355: trace = 2.532226996894193 (1.26999e-07% change) - large trace change predicted (6.59201e-07%) - linmin: converged after 4 iterations. - iteration 356: trace = 2.532226980201057 (6.59227e-07% change) - linmin: converged after 12 iterations. - iteration 357: trace = 2.532226970981009 (3.64108e-07% change) - linmin: converged after 4 iterations. - iteration 358: trace = 2.532226956224377 (5.82753e-07% change) - linmin: converged after 10 iterations. - iteration 359: trace = 2.532226940921706 (6.04317e-07% change) - linmin: converged after 32 iterations. - iteration 360: trace = 2.532226934325832 (2.60477e-07% change) - large trace change predicted (5.71701e-07%) - linmin: converged after 5 iterations. - iteration 361: trace = 2.532226919848491 (5.71724e-07% change) + iteration 353: trace = 2.532227009586345 (4.00231e-07% change) linmin: converged after 6 iterations. - iteration 362: trace = 2.532226899529127 (8.02431e-07% change) - linmin: converged after 16 iterations. - iteration 363: trace = 2.532226894115271 (2.13798e-07% change) - large trace change predicted (6.38737e-07%) + iteration 354: trace = 2.532227000659595 (3.52526e-07% change) + linmin: converged after 9 iterations. + iteration 355: trace = 2.532226996701525 (1.56308e-07% change) + large trace change predicted (6.07115e-07%) linmin: converged after 5 iterations. - iteration 364: trace = 2.532226877940186 (6.38769e-07% change) + iteration 356: trace = 2.532226981327604 (6.0713e-07% change) linmin: converged after 5 iterations. - iteration 365: trace = 2.532226862932139 (5.92682e-07% change) + iteration 357: trace = 2.532226970050849 (4.4533e-07% change) linmin: converged after 7 iterations. - iteration 366: trace = 2.532226859516136 (1.34901e-07% change) - large trace change predicted (2.92625e-07%) + iteration 358: trace = 2.532226958391849 (4.60425e-07% change) + linmin: converged after 6 iterations. + iteration 359: trace = 2.532226940064833 (7.23751e-07% change) + linmin: converged after 11 iterations. + iteration 360: trace = 2.532226934945291 (2.02176e-07% change) + large trace change predicted (5.99624e-07%) + linmin: converged after 5 iterations. + iteration 361: trace = 2.53222691976092 (5.99645e-07% change) + linmin: converged after 5 iterations. + iteration 362: trace = 2.532226905616798 (5.58565e-07% change) linmin: converged after 14 iterations. - iteration 367: trace = 2.532226852106154 (2.92627e-07% change) - linmin: converged after 2 iterations. - iteration 368: trace = 2.532226845206031 (2.72492e-07% change) + iteration 363: trace = 2.532226899159895 (2.54989e-07% change) + large trace change predicted (7.37688e-07%) + linmin: converged after 18 iterations. + iteration 364: trace = 2.532226880478916 (7.37729e-07% change) linmin: converged after 4 iterations. - iteration 369: trace = 2.532226842625343 (1.01914e-07% change) - large trace change predicted (3.14336e-07%) + iteration 365: trace = 2.532226863631799 (6.65308e-07% change) + linmin: converged after 10 iterations. + iteration 366: trace = 2.532226860414092 (1.2707e-07% change) + large trace change predicted (4.11959e-07%) + linmin: converged after 19 iterations. + iteration 367: trace = 2.532226849982138 (4.11968e-07% change) linmin: converged after 4 iterations. - iteration 370: trace = 2.532226834665654 (3.14336e-07% change) + iteration 368: trace = 2.532226846904309 (1.21546e-07% change) + large trace change predicted (2.47623e-07%) linmin: converged after 4 iterations. - iteration 371: trace = 2.53222683284111 (7.20529e-08% change) - large trace change predicted (2.86443e-07%) - linmin: converged after 8 iterations. - iteration 372: trace = 2.532226825587834 (2.86439e-07% change) - linmin: converged after 11 iterations. - iteration 373: trace = 2.532226819859058 (2.26235e-07% change) - linmin: converged after 5 iterations. - iteration 374: trace = 2.532226817278717 (1.019e-07% change) - large trace change predicted (2.88992e-07%) - linmin: converged after 6 iterations. - iteration 375: trace = 2.532226809961338 (2.8897e-07% change) - linmin: converged after 6 iterations. - iteration 376: trace = 2.53222679694146 (5.14167e-07% change) - linmin: converged after 19 iterations. - iteration 377: trace = 2.532226794085944 (1.12767e-07% change) - large trace change predicted (4.27732e-07%) - linmin: converged after 6 iterations. - iteration 378: trace = 2.532226783255718 (4.27696e-07% change) + iteration 369: trace = 2.5322268406339 (2.47624e-07% change) + linmin: converged after 10 iterations. + iteration 370: trace = 2.532226835489241 (2.03167e-07% change) linmin: converged after 5 iterations. - iteration 379: trace = 2.532226775828084 (2.93324e-07% change) - linmin: converged after 6 iterations. - iteration 380: trace = 2.532226773880708 (7.69037e-08% change) - large trace change predicted (2.20078e-07%) - linmin: converged after 6 iterations. - iteration 381: trace = 2.532226768308129 (2.20066e-07% change) + iteration 371: trace = 2.532226833820191 (6.59123e-08% change) + large trace change predicted (2.9289e-07%) linmin: converged after 5 iterations. - iteration 382: trace = 2.532226763443181 (1.92121e-07% change) + iteration 372: trace = 2.532226826403734 (2.92883e-07% change) linmin: converged after 5 iterations. - iteration 383: trace = 2.532226761972826 (5.80657e-08% change) - large trace change predicted (2.03208e-07%) - linmin: converged after 11 iterations. - iteration 384: trace = 2.532226756827222 (2.03205e-07% change) - linmin: converged after 11 iterations. - iteration 385: trace = 2.532226754726477 (8.29604e-08% change) + iteration 373: trace = 2.532226818433213 (3.14763e-07% change) + linmin: converged after 8 iterations. + iteration 374: trace = 2.532226816617593 (7.17005e-08% change) + large trace change predicted (3.91869e-07%) + linmin: converged after 4 iterations. + iteration 375: trace = 2.532226806695035 (3.91851e-07% change) + linmin: converged after 14 iterations. + iteration 376: trace = 2.53222679668151 (3.95443e-07% change) linmin: converged after 6 iterations. - iteration 386: trace = 2.532226751171404 (1.40393e-07% change) - linmin: converged after 7 iterations. - iteration 387: trace = 2.532226747795115 (1.33333e-07% change) + iteration 377: trace = 2.532226792753768 (1.5511e-07% change) + linmin: converged after 4 iterations. + iteration 378: trace = 2.532226785630273 (2.81313e-07% change) + linmin: converged after 8 iterations. + iteration 379: trace = 2.53222677742219 (3.24145e-07% change) + linmin: converged after 4 iterations. + iteration 380: trace = 2.532226775650654 (6.99596e-08% change) + large trace change predicted (2.90039e-07%) linmin: converged after 4 iterations. - iteration 388: trace = 2.532226746356977 (5.67934e-08% change) + iteration 381: trace = 2.532226768306599 (2.90024e-07% change) + linmin: converged after 11 iterations. + iteration 382: trace = 2.532226762208519 (2.40819e-07% change) + linmin: converged after 8 iterations. + iteration 383: trace = 2.532226760638031 (6.202e-08% change) + large trace change predicted (1.37484e-07%) linmin: converged after 9 iterations. - iteration 389: trace = 2.532226743561327 (1.10403e-07% change) + iteration 384: trace = 2.532226757156703 (1.37481e-07% change) linmin: converged after 4 iterations. - iteration 390: trace = 2.532226740212651 (1.32242e-07% change) + iteration 385: trace = 2.532226753839876 (1.30985e-07% change) linmin: converged after 7 iterations. - iteration 391: trace = 2.532226738455964 (6.93732e-08% change) + iteration 386: trace = 2.532226751961735 (7.41695e-08% change) + large trace change predicted (1.68444e-07%) + linmin: converged after 3 iterations. + iteration 387: trace = 2.532226747696357 (1.68444e-07% change) linmin: converged after 4 iterations. - iteration 392: trace = 2.532226734979242 (1.37299e-07% change) - linmin: converged after 14 iterations. - iteration 393: trace = 2.532226728569906 (2.53111e-07% change) + iteration 388: trace = 2.532226746946218 (2.96237e-08% change) + large trace change predicted (1.46793e-07%) linmin: converged after 4 iterations. - iteration 394: trace = 2.532226726927974 (6.48414e-08% change) - large trace change predicted (2.02333e-07%) - linmin: converged after 21 iterations. - iteration 395: trace = 2.532226721804354 (2.02337e-07% change) + iteration 389: trace = 2.532226743229082 (1.46793e-07% change) linmin: converged after 4 iterations. - iteration 396: trace = 2.532226717861316 (1.55714e-07% change) - linmin: converged after 8 iterations. - iteration 397: trace = 2.532226716535644 (5.2352e-08% change) - large trace change predicted (1.60282e-07%) - linmin: converged after 13 iterations. - iteration 398: trace = 2.532226712476868 (1.60285e-07% change) - linmin: converged after 16 iterations. - iteration 399: trace = 2.532226711430153 (4.13358e-08% change) + iteration 390: trace = 2.532226740797411 (9.6029e-08% change) + linmin: converged after 7 iterations. + iteration 391: trace = 2.532226739579348 (4.81024e-08% change) + large trace change predicted (1.4668e-07%) + linmin: converged after 4 iterations. + iteration 392: trace = 2.532226735865093 (1.46679e-07% change) linmin: converged after 4 iterations. - iteration 400: trace = 2.532226709548159 (7.43217e-08% change) + iteration 393: trace = 2.532226732442703 (1.35153e-07% change) + linmin: converged after 5 iterations. + iteration 394: trace = 2.532226728161711 (1.6906e-07% change) + linmin: converged after 2 iterations. + iteration 395: trace = 2.532226721815971 (2.50599e-07% change) linmin: converged after 6 iterations. - iteration 401: trace = 2.532226707623194 (7.60186e-08% change) + iteration 396: trace = 2.53222672017033 (6.49879e-08% change) + large trace change predicted (1.43884e-07%) linmin: converged after 4 iterations. - iteration 402: trace = 2.53222670718206 (1.74208e-08% change) - large trace change predicted (7.92241e-08%) - linmin: converged after 8 iterations. - iteration 403: trace = 2.532226705175908 (7.92248e-08% change) + iteration 397: trace = 2.532226716526811 (1.43886e-07% change) linmin: converged after 4 iterations. - iteration 404: trace = 2.53222670431038 (3.41805e-08% change) - linmin: converged after 12 iterations. - iteration 405: trace = 2.532226702841314 (5.80148e-08% change) - linmin: converged after 18 iterations. - iteration 406: trace = 2.532226699971066 (1.13349e-07% change) + iteration 398: trace = 2.532226713283277 (1.2809e-07% change) linmin: converged after 5 iterations. - iteration 407: trace = 2.532226697493734 (9.78321e-08% change) - linmin: converged after 3 iterations. - iteration 408: trace = 2.532226695648335 (7.28766e-08% change) - linmin: converged after 18 iterations. - iteration 409: trace = 2.532226692201912 (1.36102e-07% change) - linmin: converged after 19 iterations. - iteration 410: trace = 2.53222668985198 (9.2801e-08% change) + iteration 399: trace = 2.532226710745507 (1.00219e-07% change) + linmin: converged after 4 iterations. + iteration 400: trace = 2.532226710175681 (2.25029e-08% change) + large trace change predicted (7.85665e-08%) linmin: converged after 6 iterations. - iteration 411: trace = 2.532226688485163 (5.39769e-08% change) - large trace change predicted (1.39517e-07%) - linmin: converged after 7 iterations. - iteration 412: trace = 2.53222668495223 (1.39519e-07% change) + iteration 401: trace = 2.532226708186187 (7.8567e-08% change) linmin: converged after 4 iterations. - iteration 413: trace = 2.532226684026071 (3.65749e-08% change) - large trace change predicted (9.8508e-08%) + iteration 402: trace = 2.532226707280468 (3.57677e-08% change) + linmin: converged after 9 iterations. + iteration 403: trace = 2.532226705612079 (6.58862e-08% change) linmin: converged after 13 iterations. - iteration 414: trace = 2.532226681531623 (9.85081e-08% change) - linmin: converged after 4 iterations. - iteration 415: trace = 2.532226679072552 (9.7111e-08% change) - linmin: converged after 6 iterations. - iteration 416: trace = 2.532226678266132 (3.18463e-08% change) - large trace change predicted (7.32302e-08%) - linmin: converged after 3 iterations. - iteration 417: trace = 2.532226676411776 (7.32302e-08% change) + iteration 404: trace = 2.532226703732972 (7.42077e-08% change) linmin: converged after 4 iterations. - iteration 418: trace = 2.532226675930684 (1.89988e-08% change) - linmin: converged after 5 iterations. - iteration 419: trace = 2.532226675114865 (3.22175e-08% change) - resetting CG direction... + iteration 405: trace = 2.532226702758732 (3.84737e-08% change) + large trace change predicted (9.02391e-08%) linmin: converged after 4 iterations. - iteration 420: trace = 2.532226674520886 (2.34568e-08% change) - linmin: converged after 5 iterations. - iteration 421: trace = 2.532226674207967 (1.23575e-08% change) - large trace change predicted (5.96327e-08%) - linmin: converged after 25 iterations. - iteration 422: trace = 2.532226672697918 (5.96332e-08% change) + iteration 406: trace = 2.532226700473647 (9.02401e-08% change) + linmin: converged after 7 iterations. + iteration 407: trace = 2.532226697324279 (1.24371e-07% change) linmin: converged after 4 iterations. - iteration 423: trace = 2.53222667203163 (2.63124e-08% change) - large trace change predicted (6.96583e-08%) + iteration 408: trace = 2.532226696252879 (4.23106e-08% change) + large trace change predicted (1.31822e-07%) + linmin: converged after 6 iterations. + iteration 409: trace = 2.532226692914834 (1.31823e-07% change) + linmin: converged after 6 iterations. + iteration 410: trace = 2.532226689565373 (1.32273e-07% change) linmin: converged after 4 iterations. - iteration 424: trace = 2.532226670267724 (6.96583e-08% change) + iteration 411: trace = 2.53222668829532 (5.01556e-08% change) + large trace change predicted (1.08659e-07%) linmin: converged after 6 iterations. - iteration 425: trace = 2.532226668480772 (7.05684e-08% change) + iteration 412: trace = 2.532226685543844 (1.08658e-07% change) linmin: converged after 4 iterations. - iteration 426: trace = 2.532226667866964 (2.42398e-08% change) - large trace change predicted (8.3148e-08%) + iteration 413: trace = 2.53222668301056 (1.00042e-07% change) linmin: converged after 4 iterations. - iteration 427: trace = 2.532226665761488 (8.31472e-08% change) + iteration 414: trace = 2.532226682092482 (3.62558e-08% change) + large trace change predicted (1.19056e-07%) linmin: converged after 4 iterations. - iteration 428: trace = 2.532226664557271 (4.75556e-08% change) + iteration 415: trace = 2.532226679077737 (1.19055e-07% change) + linmin: converged after 2 iterations. + iteration 416: trace = 2.532226677691924 (5.4727e-08% change) linmin: converged after 5 iterations. - iteration 429: trace = 2.532226663045557 (5.9699e-08% change) + iteration 417: trace = 2.532226676697142 (3.92849e-08% change) linmin: converged after 4 iterations. - iteration 430: trace = 2.532226661052858 (7.86935e-08% change) - linmin: converged after 4 iterations. - iteration 431: trace = 2.532226659598508 (5.74337e-08% change) + iteration 418: trace = 2.532226675611017 (4.28921e-08% change) + linmin: converged after 3 iterations. + iteration 419: trace = 2.532226675124845 (1.91994e-08% change) + resetting CG direction... linmin: converged after 4 iterations. - iteration 432: trace = 2.532226658669453 (3.66893e-08% change) - linmin: converged after 24 iterations. - iteration 433: trace = 2.532226657248406 (5.61185e-08% change) - linmin: converged after 14 iterations. - iteration 434: trace = 2.532226656699661 (2.16705e-08% change) + iteration 420: trace = 2.532226674730484 (1.55737e-08% change) linmin: converged after 2 iterations. - iteration 435: trace = 2.532226655867938 (3.28455e-08% change) + iteration 421: trace = 2.532226673967456 (3.01327e-08% change) linmin: converged after 5 iterations. - iteration 436: trace = 2.532226655024534 (3.33068e-08% change) - linmin: converged after 19 iterations. - iteration 437: trace = 2.532226654853085 (6.77068e-09% change) - large trace change predicted (3.93645e-08%) - linmin: converged after 4 iterations. - iteration 438: trace = 2.532226653856296 (3.93641e-08% change) + iteration 422: trace = 2.53222667310345 (3.41204e-08% change) + linmin: converged after 8 iterations. + iteration 423: trace = 2.532226672440093 (2.61966e-08% change) + large trace change predicted (8.55627e-08%) linmin: converged after 4 iterations. - iteration 439: trace = 2.53222665306298 (3.13288e-08% change) - linmin: converged after 21 iterations. - iteration 440: trace = 2.53222665265887 (1.59587e-08% change) - large trace change predicted (3.73354e-08%) - linmin: converged after 19 iterations. - iteration 441: trace = 2.532226651713459 (3.73352e-08% change) + iteration 424: trace = 2.532226670273461 (8.55623e-08% change) + linmin: converged after 2 iterations. + iteration 425: trace = 2.532226669622373 (2.57121e-08% change) + large trace change predicted (8.48416e-08%) + linmin: converged after 7 iterations. + iteration 426: trace = 2.53222666747401 (8.48409e-08% change) linmin: converged after 6 iterations. - iteration 442: trace = 2.532226650865377 (3.34915e-08% change) + iteration 427: trace = 2.532226665688019 (7.05305e-08% change) + linmin: converged after 7 iterations. + iteration 428: trace = 2.532226664801516 (3.50088e-08% change) + large trace change predicted (8.50366e-08%) + linmin: converged after 13 iterations. + iteration 429: trace = 2.532226662648209 (8.50361e-08% change) linmin: converged after 4 iterations. - iteration 443: trace = 2.53222664982967 (4.0901e-08% change) + iteration 430: trace = 2.532226660852035 (7.09326e-08% change) linmin: converged after 4 iterations. - iteration 444: trace = 2.5322266477675 (8.1437e-08% change) - linmin: converged after 20 iterations. - iteration 445: trace = 2.532226646830583 (3.69997e-08% change) + iteration 431: trace = 2.532226660316739 (2.11393e-08% change) + large trace change predicted (8.35364e-08%) + linmin: converged after 4 iterations. + iteration 432: trace = 2.53222665820143 (8.35355e-08% change) + linmin: converged after 8 iterations. + iteration 433: trace = 2.53222665777559 (1.68168e-08% change) + large trace change predicted (4.33605e-08%) + linmin: converged after 3 iterations. + iteration 434: trace = 2.532226656677612 (4.33602e-08% change) linmin: converged after 6 iterations. - iteration 446: trace = 2.532226645266039 (6.17853e-08% change) + iteration 435: trace = 2.532226655450912 (4.84435e-08% change) + linmin: converged after 22 iterations. + iteration 436: trace = 2.532226655101224 (1.38095e-08% change) + linmin: converged after 4 iterations. + iteration 437: trace = 2.532226654617961 (1.90845e-08% change) + linmin: converged after 4 iterations. + iteration 438: trace = 2.532226653690806 (3.66142e-08% change) + linmin: converged after 4 iterations. + iteration 439: trace = 2.532226653336533 (1.39906e-08% change) + large trace change predicted (3.59263e-08%) linmin: converged after 4 iterations. - iteration 447: trace = 2.532226643783507 (5.85466e-08% change) + iteration 440: trace = 2.532226652426798 (3.59263e-08% change) + linmin: converged after 30 iterations. + iteration 441: trace = 2.532226651558114 (3.43052e-08% change) + linmin: converged after 7 iterations. + iteration 442: trace = 2.532226650879924 (2.67823e-08% change) + large trace change predicted (5.38363e-08%) + linmin: converged after 10 iterations. + iteration 443: trace = 2.532226649516678 (5.38359e-08% change) linmin: converged after 6 iterations. - iteration 448: trace = 2.532226643465906 (1.25423e-08% change) - large trace change predicted (3.35446e-08%) + iteration 444: trace = 2.532226647281072 (8.82862e-08% change) linmin: converged after 5 iterations. - iteration 449: trace = 2.532226642616482 (3.35446e-08% change) + iteration 445: trace = 2.532226646833276 (1.76839e-08% change) + large trace change predicted (8.68952e-08%) linmin: converged after 5 iterations. - iteration 450: trace = 2.532226641792593 (3.25361e-08% change) - linmin: converged after 15 iterations. - iteration 451: trace = 2.532226640759845 (4.07842e-08% change) - linmin: converged after 14 iterations. - iteration 452: trace = 2.532226640549357 (8.31239e-09% change) - large trace change predicted (4.66452e-08%) + iteration 446: trace = 2.532226644632903 (8.68948e-08% change) + linmin: converged after 5 iterations. + iteration 447: trace = 2.532226643541629 (4.30954e-08% change) linmin: converged after 4 iterations. - iteration 453: trace = 2.532226639368196 (4.66451e-08% change) - linmin: converged after 18 iterations. - iteration 454: trace = 2.532226639072773 (1.16666e-08% change) - large trace change predicted (3.52873e-08%) + iteration 448: trace = 2.532226643191114 (1.38422e-08% change) + large trace change predicted (3.09371e-08%) + linmin: converged after 4 iterations. + iteration 449: trace = 2.532226642407715 (3.09372e-08% change) linmin: converged after 4 iterations. - iteration 455: trace = 2.532226638179224 (3.52871e-08% change) + iteration 450: trace = 2.532226641565412 (3.32633e-08% change) + linmin: converged after 4 iterations. + iteration 451: trace = 2.532226641294958 (1.06805e-08% change) + large trace change predicted (3.72992e-08%) linmin: converged after 5 iterations. - iteration 456: trace = 2.532226637257508 (3.63994e-08% change) - linmin: converged after 13 iterations. - iteration 457: trace = 2.532226636962479 (1.1651e-08% change) - large trace change predicted (5.34515e-08%) + iteration 452: trace = 2.532226640350463 (3.7299e-08% change) + linmin: converged after 21 iterations. + iteration 453: trace = 2.532226639914761 (1.72063e-08% change) linmin: converged after 4 iterations. - iteration 458: trace = 2.532226635608954 (5.3452e-08% change) + iteration 454: trace = 2.532226639166265 (2.95588e-08% change) linmin: converged after 4 iterations. - iteration 459: trace = 2.532226634849473 (2.99926e-08% change) - linmin: converged after 10 iterations. - iteration 460: trace = 2.5322266339205 (3.6686e-08% change) - linmin: converged after 7 iterations. - iteration 461: trace = 2.532226632067301 (7.31845e-08% change) + iteration 455: trace = 2.532226638302889 (3.40955e-08% change) linmin: converged after 4 iterations. - iteration 462: trace = 2.53222663092042 (4.52914e-08% change) + iteration 456: trace = 2.532226637979573 (1.27681e-08% change) + large trace change predicted (3.73337e-08%) + linmin: converged after 7 iterations. + iteration 457: trace = 2.532226637034197 (3.73338e-08% change) + linmin: converged after 20 iterations. + iteration 458: trace = 2.532226635902175 (4.47046e-08% change) + linmin: converged after 6 iterations. + iteration 459: trace = 2.53222663541425 (1.92686e-08% change) + large trace change predicted (6.32161e-08%) linmin: converged after 7 iterations. - iteration 463: trace = 2.532226630252143 (2.63909e-08% change) + iteration 460: trace = 2.532226633813438 (6.32176e-08% change) linmin: converged after 4 iterations. - iteration 464: trace = 2.53222662909794 (4.55806e-08% change) + iteration 461: trace = 2.532226633107011 (2.78975e-08% change) linmin: converged after 4 iterations. - iteration 465: trace = 2.53222662857571 (2.06233e-08% change) + iteration 462: trace = 2.532226631758699 (5.32461e-08% change) linmin: converged after 4 iterations. - iteration 466: trace = 2.532226628033396 (2.14165e-08% change) - linmin: converged after 18 iterations. - iteration 467: trace = 2.532226627130709 (3.56479e-08% change) - linmin: converged after 3 iterations. - iteration 468: trace = 2.532226626986287 (5.70337e-09% change) - large trace change predicted (2.75595e-08%) + iteration 463: trace = 2.532226630527476 (4.86222e-08% change) + linmin: converged after 4 iterations. + iteration 464: trace = 2.532226629450193 (4.25429e-08% change) + linmin: converged after 4 iterations. + iteration 465: trace = 2.532226628806905 (2.5404e-08% change) + linmin: converged after 6 iterations. + iteration 466: trace = 2.532226627805238 (3.95568e-08% change) linmin: converged after 12 iterations. - iteration 469: trace = 2.532226626288405 (2.756e-08% change) + iteration 467: trace = 2.532226627021209 (3.0962e-08% change) linmin: converged after 18 iterations. - iteration 470: trace = 2.532226625924587 (1.43675e-08% change) - linmin: converged after 10 iterations. - iteration 471: trace = 2.532226625614535 (1.22443e-08% change) - large trace change predicted (2.89043e-08%) - linmin: converged after 24 iterations. - iteration 472: trace = 2.532226624882627 (2.89037e-08% change) + iteration 468: trace = 2.532226626808786 (8.38878e-09% change) + large trace change predicted (1.98277e-08%) + linmin: converged after 9 iterations. + iteration 469: trace = 2.532226626306692 (1.98281e-08% change) linmin: converged after 6 iterations. - iteration 473: trace = 2.532226624645749 (9.3545e-09% change) - large trace change predicted (3.92612e-08%) + iteration 470: trace = 2.532226625857618 (1.77344e-08% change) linmin: converged after 7 iterations. - iteration 474: trace = 2.53222662365157 (3.92611e-08% change) - linmin: converged after 13 iterations. - iteration 475: trace = 2.532226622203749 (5.71758e-08% change) + iteration 471: trace = 2.532226625516409 (1.34747e-08% change) + large trace change predicted (2.70153e-08%) + linmin: converged after 9 iterations. + iteration 472: trace = 2.532226624832322 (2.70152e-08% change) linmin: converged after 4 iterations. - iteration 476: trace = 2.532226621786479 (1.64784e-08% change) - large trace change predicted (3.44614e-08%) - linmin: converged after 11 iterations. - iteration 477: trace = 2.532226620913853 (3.44608e-08% change) - linmin: converged after 10 iterations. - iteration 478: trace = 2.532226620129062 (3.09921e-08% change) - linmin: converged after 3 iterations. - iteration 479: trace = 2.532226619389769 (2.91954e-08% change) - linmin: converged after 7 iterations. - iteration 480: trace = 2.532226619121213 (1.06055e-08% change) - large trace change predicted (3.13229e-08%) - linmin: converged after 8 iterations. - iteration 481: trace = 2.532226618328066 (3.13221e-08% change) + iteration 473: trace = 2.532226624345661 (1.92187e-08% change) linmin: converged after 4 iterations. - iteration 482: trace = 2.532226618071341 (1.01383e-08% change) - large trace change predicted (2.20549e-08%) + iteration 474: trace = 2.532226623696298 (2.5644e-08% change) + large trace change predicted (5.67071e-08%) linmin: converged after 6 iterations. - iteration 483: trace = 2.532226617512868 (2.20546e-08% change) - linmin: converged after 28 iterations. - iteration 484: trace = 2.532226617158118 (1.40094e-08% change) - linmin: converged after 15 iterations. - iteration 485: trace = 2.532226616990453 (6.62123e-09% change) + iteration 475: trace = 2.532226622260394 (5.67052e-08% change) linmin: converged after 4 iterations. - iteration 486: trace = 2.532226616740968 (9.85241e-09% change) + iteration 476: trace = 2.532226621988514 (1.07368e-08% change) + large trace change predicted (4.66526e-08%) + linmin: converged after 12 iterations. + iteration 477: trace = 2.532226620807191 (4.66516e-08% change) + linmin: converged after 10 iterations. + iteration 478: trace = 2.532226620231792 (2.2723e-08% change) linmin: converged after 4 iterations. - iteration 487: trace = 2.532226616452942 (1.13744e-08% change) - linmin: converged after 24 iterations. - iteration 488: trace = 2.532226616350514 (4.04497e-09% change) - large trace change predicted (6.3693e-08%) + iteration 479: trace = 2.532226619994284 (9.37941e-09% change) + large trace change predicted (3.95669e-08%) linmin: converged after 4 iterations. - iteration 489: trace = 2.532226614737656 (6.36932e-08% change) - resetting CG direction... + iteration 480: trace = 2.532226618992381 (3.95661e-08% change) linmin: converged after 4 iterations. - iteration 490: trace = 2.532226614356043 (1.50703e-08% change) - linmin: converged after 8 iterations. - iteration 491: trace = 2.532226613708098 (2.5588e-08% change) + iteration 481: trace = 2.532226618622195 (1.4619e-08% change) linmin: converged after 12 iterations. - iteration 492: trace = 2.532226613481639 (8.94305e-09% change) - linmin: converged after 18 iterations. - iteration 493: trace = 2.532226613390855 (3.58517e-09% change) - large trace change predicted (1.11045e-08%) - linmin: converged after 4 iterations. - iteration 494: trace = 2.53222661310966 (1.11046e-08% change) - linmin: converged after 9 iterations. - iteration 495: trace = 2.532226612978538 (5.17814e-09% change) - linmin: converged after 19 iterations. - iteration 496: trace = 2.532226612818014 (6.33924e-09% change) - linmin: converged after 10 iterations. - iteration 497: trace = 2.532226612499707 (1.25702e-08% change) - linmin: converged after 15 iterations. - iteration 498: trace = 2.532226612400562 (3.91533e-09% change) - large trace change predicted (7.90845e-09%) - linmin: converged after 8 iterations. - iteration 499: trace = 2.532226612200308 (7.90822e-09% change) + iteration 482: trace = 2.532226617993015 (2.48469e-08% change) + linmin: converged after 6 iterations. + iteration 483: trace = 2.532226617426202 (2.2384e-08% change) + linmin: converged after 13 iterations. + iteration 484: trace = 2.532226617256165 (6.71492e-09% change) linmin: converged after 4 iterations. - iteration 500: trace = 2.53222661183032 (1.46112e-08% change) - linmin: converged after 28 iterations. - iteration 501: trace = 2.532226611735656 (3.73838e-09% change) - large trace change predicted (1.68449e-08%) - linmin: converged after 8 iterations. - iteration 502: trace = 2.532226611309096 (1.68452e-08% change) - linmin: converged after 7 iterations. - iteration 503: trace = 2.532226611086553 (8.78841e-09% change) + iteration 485: trace = 2.532226617004804 (9.92649e-09% change) + linmin: converged after 2 iterations. + iteration 486: trace = 2.532226616624609 (1.50143e-08% change) + linmin: converged after 17 iterations. + iteration 487: trace = 2.532226616495924 (5.08189e-09% change) linmin: converged after 5 iterations. - iteration 504: trace = 2.532226610879799 (8.16492e-09% change) - linmin: converged after 4 iterations. - iteration 505: trace = 2.532226610487903 (1.54764e-08% change) + iteration 488: trace = 2.532226616315545 (7.12333e-09% change) + large trace change predicted (3.71903e-08%) + linmin: converged after 3 iterations. + iteration 489: trace = 2.532226615373796 (3.71905e-08% change) + resetting CG direction... + linmin: converged after 3 iterations. + iteration 490: trace = 2.532226614990017 (1.51558e-08% change) + linmin: converged after 22 iterations. + iteration 491: trace = 2.532226614574037 (1.64274e-08% change) linmin: converged after 4 iterations. - iteration 506: trace = 2.532226610342944 (5.72457e-09% change) - linmin: converged after 7 iterations. - iteration 507: trace = 2.532226610129535 (8.42773e-09% change) + iteration 492: trace = 2.53222661445902 (4.54214e-09% change) + linmin: converged after 2 iterations. + iteration 493: trace = 2.532226614330669 (5.06871e-09% change) + large trace change predicted (1.11422e-08%) linmin: converged after 4 iterations. - iteration 508: trace = 2.532226609834197 (1.16631e-08% change) + iteration 494: trace = 2.532226614048517 (1.11424e-08% change) linmin: converged after 4 iterations. - iteration 509: trace = 2.532226609773988 (2.37772e-09% change) - large trace change predicted (8.23506e-09%) + iteration 495: trace = 2.532226613909927 (5.47305e-09% change) + linmin: converged after 5 iterations. + iteration 496: trace = 2.532226613681113 (9.03607e-09% change) + linmin: converged after 10 iterations. + iteration 497: trace = 2.532226613350379 (1.3061e-08% change) linmin: converged after 4 iterations. - iteration 510: trace = 2.53222660956545 (8.23536e-09% change) + iteration 498: trace = 2.532226613247108 (4.07824e-09% change) + large trace change predicted (1.49089e-08%) + linmin: converged after 12 iterations. + iteration 499: trace = 2.53222661286958 (1.49089e-08% change) + linmin: converged after 10 iterations. + iteration 500: trace = 2.532226612514786 (1.40111e-08% change) linmin: converged after 4 iterations. - iteration 511: trace = 2.532226609408117 (6.21326e-09% change) + iteration 501: trace = 2.532226612353428 (6.3722e-09% change) + large trace change predicted (1.62046e-08%) linmin: converged after 4 iterations. - iteration 512: trace = 2.53222660933298 (2.96722e-09% change) + iteration 502: trace = 2.532226611943084 (1.62049e-08% change) + linmin: converged after 9 iterations. + iteration 503: trace = 2.532226611654038 (1.14147e-08% change) linmin: converged after 2 iterations. - iteration 513: trace = 2.532226609216779 (4.58888e-09% change) - linmin: converged after 10 iterations. - iteration 514: trace = 2.532226609064996 (5.99405e-09% change) + iteration 504: trace = 2.532226611335948 (1.25617e-08% change) linmin: converged after 4 iterations. - iteration 515: trace = 2.532226609028991 (1.42187e-09% change) - large trace change predicted (7.63343e-09%) + iteration 505: trace = 2.532226610950109 (1.52372e-08% change) + linmin: converged after 15 iterations. + iteration 506: trace = 2.532226610844171 (4.18357e-09% change) + large trace change predicted (8.83668e-09%) linmin: converged after 4 iterations. - iteration 516: trace = 2.532226608835697 (7.63335e-09% change) - linmin: converged after 5 iterations. - iteration 517: trace = 2.532226608740671 (3.75267e-09% change) + iteration 507: trace = 2.532226610620409 (8.83658e-09% change) + linmin: converged after 29 iterations. + iteration 508: trace = 2.532226610358681 (1.03359e-08% change) + linmin: converged after 4 iterations. + iteration 509: trace = 2.532226610308212 (1.99303e-09% change) + large trace change predicted (7.7155e-09%) + linmin: converged after 15 iterations. + iteration 510: trace = 2.532226610112831 (7.7158e-09% change) + linmin: converged after 22 iterations. + iteration 511: trace = 2.532226609950249 (6.42051e-09% change) + linmin: converged after 6 iterations. + iteration 512: trace = 2.532226609900348 (1.97065e-09% change) + large trace change predicted (5.05841e-09%) linmin: converged after 5 iterations. - iteration 518: trace = 2.532226608638877 (4.01993e-09% change) - large trace change predicted (9.54797e-09%) + iteration 513: trace = 2.532226609772259 (5.05836e-09% change) linmin: converged after 4 iterations. - iteration 519: trace = 2.532226608397102 (9.54792e-09% change) + iteration 514: trace = 2.532226609584965 (7.39641e-09% change) + linmin: converged after 21 iterations. + iteration 515: trace = 2.532226609536809 (1.90173e-09% change) + large trace change predicted (7.15979e-09%) linmin: converged after 4 iterations. - iteration 520: trace = 2.532226608167098 (9.08309e-09% change) + iteration 516: trace = 2.532226609355495 (7.16025e-09% change) linmin: converged after 4 iterations. - iteration 521: trace = 2.532226608041733 (4.95077e-09% change) - linmin: converged after 5 iterations. - iteration 522: trace = 2.53222660792103 (4.76667e-09% change) + iteration 517: trace = 2.532226609069801 (1.12823e-08% change) linmin: converged after 4 iterations. - iteration 523: trace = 2.532226607757263 (6.4673e-09% change) - linmin: converged after 5 iterations. - iteration 524: trace = 2.53222660773012 (1.07191e-09% change) - large trace change predicted (5.23063e-09%) - linmin: converged after 13 iterations. - iteration 525: trace = 2.532226607597675 (5.23038e-09% change) + iteration 518: trace = 2.532226609010516 (2.3412e-09% change) + large trace change predicted (9.77747e-09%) linmin: converged after 4 iterations. - iteration 526: trace = 2.532226607534311 (2.50229e-09% change) - linmin: converged after 2 iterations. - iteration 527: trace = 2.532226607480542 (2.12341e-09% change) + iteration 519: trace = 2.532226608762929 (9.77747e-09% change) + linmin: converged after 10 iterations. + iteration 520: trace = 2.532226608572097 (7.53611e-09% change) linmin: converged after 4 iterations. - iteration 528: trace = 2.532226607400952 (3.14309e-09% change) + iteration 521: trace = 2.532226608482949 (3.52057e-09% change) + large trace change predicted (7.12013e-09%) linmin: converged after 4 iterations. - iteration 529: trace = 2.532226607343637 (2.26341e-09% change) - linmin: converged after 3 iterations. - iteration 530: trace = 2.532226607300956 (1.68553e-09% change) - linmin: converged after 15 iterations. - iteration 531: trace = 2.532226607228981 (2.84237e-09% change) - linmin: converged after 3 iterations. - iteration 532: trace = 2.532226607211765 (6.79841e-10% change) - large trace change predicted (3.69043e-09%) - linmin: converged after 15 iterations. - iteration 533: trace = 2.532226607118313 (3.69054e-09% change) - linmin: converged after 5 iterations. - iteration 534: trace = 2.532226607036424 (3.23386e-09% change) + iteration 522: trace = 2.532226608302647 (7.12029e-09% change) + linmin: converged after 6 iterations. + iteration 523: trace = 2.53222660813663 (6.55613e-09% change) linmin: converged after 4 iterations. - iteration 535: trace = 2.532226606999509 (1.45782e-09% change) - large trace change predicted (5.07904e-09%) - linmin: converged after 2 iterations. - iteration 536: trace = 2.532226606870895 (5.07905e-09% change) - linmin: converged after 8 iterations. - iteration 537: trace = 2.532226606759332 (4.40575e-09% change) - linmin: converged after 9 iterations. - iteration 538: trace = 2.532226606732932 (1.04257e-09% change) - large trace change predicted (3.51654e-09%) - linmin: converged after 24 iterations. - iteration 539: trace = 2.53222660664388 (3.51674e-09% change) - linmin: converged after 5 iterations. - iteration 540: trace = 2.532226606579878 (2.5275e-09% change) + iteration 524: trace = 2.532226608110157 (1.04548e-09% change) + large trace change predicted (5.05211e-09%) + linmin: converged after 25 iterations. + iteration 525: trace = 2.532226607982223 (5.05222e-09% change) linmin: converged after 4 iterations. - iteration 541: trace = 2.532226606566752 (5.18356e-10% change) - large trace change predicted (1.66753e-09%) + iteration 526: trace = 2.53222660791327 (2.72299e-09% change) + linmin: converged after 19 iterations. + iteration 527: trace = 2.532226607864836 (1.91273e-09% change) + linmin: converged after 14 iterations. + iteration 528: trace = 2.532226607768531 (3.80318e-09% change) linmin: converged after 4 iterations. - iteration 542: trace = 2.532226606524528 (1.66743e-09% change) - linmin: converged after 24 iterations. - iteration 543: trace = 2.532226606503792 (8.18914e-10% change) - linmin: converged after 9 iterations. - iteration 544: trace = 2.53222660648796 (6.25194e-10% change) - large trace change predicted (1.9985e-09%) - linmin: converged after 17 iterations. - iteration 545: trace = 2.53222660643734 (1.99906e-09% change) + iteration 529: trace = 2.532226607724584 (1.73551e-09% change) + linmin: converged after 16 iterations. + iteration 530: trace = 2.532226607660792 (2.51917e-09% change) linmin: converged after 2 iterations. - iteration 546: trace = 2.532226606428637 (3.43682e-10% change) - large trace change predicted (1.91697e-09%) + iteration 531: trace = 2.532226607585679 (2.96629e-09% change) linmin: converged after 4 iterations. - iteration 547: trace = 2.532226606380086 (1.9173e-09% change) + iteration 532: trace = 2.53222660756814 (6.92644e-10% change) + large trace change predicted (4.50747e-09%) linmin: converged after 4 iterations. - iteration 548: trace = 2.532226606316409 (2.51468e-09% change) - linmin: converged after 22 iterations. - iteration 549: trace = 2.532226606270019 (1.83198e-09% change) + iteration 533: trace = 2.532226607454004 (4.50733e-09% change) linmin: converged after 4 iterations. - iteration 550: trace = 2.532226606238847 (1.23101e-09% change) - large trace change predicted (3.38359e-09%) - linmin: converged after 11 iterations. - iteration 551: trace = 2.532226606153159 (3.38388e-09% change) - linmin: converged after 21 iterations. - iteration 552: trace = 2.532226606112784 (1.59444e-09% change) - linmin: converged after 8 iterations. - iteration 553: trace = 2.532226606078401 (1.35782e-09% change) - linmin: converged after 17 iterations. - iteration 554: trace = 2.532226606014963 (2.50523e-09% change) + iteration 534: trace = 2.532226607364705 (3.52651e-09% change) + linmin: converged after 3 iterations. + iteration 535: trace = 2.532226607294389 (2.77683e-09% change) + linmin: converged after 4 iterations. + iteration 536: trace = 2.532226607160313 (5.2948e-09% change) linmin: converged after 5 iterations. - iteration 555: trace = 2.532226605994184 (8.2058e-10% change) - linmin: converged after 22 iterations. - iteration 556: trace = 2.532226605957052 (1.46638e-09% change) + iteration 537: trace = 2.532226607029921 (5.14929e-09% change) + linmin: converged after 13 iterations. + iteration 538: trace = 2.5322266070075 (8.85416e-10% change) + large trace change predicted (4.01929e-09%) linmin: converged after 5 iterations. - iteration 557: trace = 2.532226605918465 (1.52383e-09% change) - linmin: converged after 18 iterations. - iteration 558: trace = 2.532226605910012 (3.33809e-10% change) - large trace change predicted (1.30843e-09%) - linmin: converged after 2 iterations. - iteration 559: trace = 2.532226605876871 (1.30879e-09% change) - resetting CG direction... + iteration 539: trace = 2.532226606905723 (4.0193e-09% change) + linmin: converged after 24 iterations. + iteration 540: trace = 2.532226606857129 (1.91901e-09% change) + linmin: converged after 13 iterations. + iteration 541: trace = 2.532226606837944 (7.5762e-10% change) + linmin: converged after 4 iterations. + iteration 542: trace = 2.532226606805213 (1.2926e-09% change) + linmin: converged after 12 iterations. + iteration 543: trace = 2.532226606774845 (1.19925e-09% change) linmin: converged after 3 iterations. - iteration 560: trace = 2.532226605863193 (5.40155e-10% change) + iteration 544: trace = 2.532226606753333 (8.49552e-10% change) + large trace change predicted (2.84294e-09%) linmin: converged after 4 iterations. - iteration 561: trace = 2.53222660585212 (4.3728e-10% change) - large trace change predicted (1.02576e-09%) + iteration 545: trace = 2.532226606681347 (2.84278e-09% change) + linmin: converged after 21 iterations. + iteration 546: trace = 2.532226606639919 (1.63604e-09% change) + linmin: converged after 3 iterations. + iteration 547: trace = 2.53222660661203 (1.10135e-09% change) + large trace change predicted (2.69728e-09%) + linmin: converged after 21 iterations. + iteration 548: trace = 2.532226606543726 (2.69737e-09% change) linmin: converged after 4 iterations. - iteration 562: trace = 2.532226605826152 (1.02551e-09% change) - linmin: converged after 14 iterations. - iteration 563: trace = 2.532226605814464 (4.61587e-10% change) - large trace change predicted (9.7626e-10%) - linmin: converged after 10 iterations. - iteration 564: trace = 2.53222660578974 (9.76365e-10% change) - linmin: converged after 5 iterations. - iteration 565: trace = 2.532226605744299 (1.79451e-09% change) - linmin: converged after 11 iterations. - iteration 566: trace = 2.532226605734294 (3.95102e-10% change) - large trace change predicted (2.04494e-09%) - linmin: converged after 2 iterations. - iteration 567: trace = 2.53222660568251 (2.04501e-09% change) - linmin: converged after 12 iterations. - iteration 568: trace = 2.532226605633589 (1.93193e-09% change) - linmin: converged after 15 iterations. - iteration 569: trace = 2.532226605613713 (7.84926e-10% change) - large trace change predicted (1.75747e-09%) - linmin: converged after 9 iterations. - iteration 570: trace = 2.532226605569216 (1.7572e-09% change) + iteration 549: trace = 2.53222660651916 (9.70157e-10% change) + large trace change predicted (2.35329e-09%) linmin: converged after 4 iterations. - iteration 571: trace = 2.532226605542166 (1.06824e-09% change) - linmin: converged after 18 iterations. - iteration 572: trace = 2.532226605527237 (5.89541e-10% change) - large trace change predicted (1.24834e-09%) + iteration 550: trace = 2.532226606459564 (2.35351e-09% change) + linmin: converged after 6 iterations. + iteration 551: trace = 2.532226606380231 (3.1329e-09% change) + linmin: converged after 17 iterations. + iteration 552: trace = 2.532226606345771 (1.36086e-09% change) + linmin: converged after 9 iterations. + iteration 553: trace = 2.532226606279323 (2.62412e-09% change) linmin: converged after 8 iterations. - iteration 573: trace = 2.532226605495628 (1.2483e-09% change) + iteration 554: trace = 2.532226606195644 (3.30456e-09% change) linmin: converged after 4 iterations. - iteration 574: trace = 2.532226605490959 (1.84372e-10% change) - large trace change predicted (1.04917e-09%) + iteration 555: trace = 2.532226606176873 (7.41275e-10% change) + large trace change predicted (1.67743e-09%) + linmin: converged after 2 iterations. + iteration 556: trace = 2.532226606134392 (1.67762e-09% change) linmin: converged after 5 iterations. - iteration 575: trace = 2.532226605464379 (1.04965e-09% change) + iteration 557: trace = 2.532226606103434 (1.22257e-09% change) + linmin: converged after 3 iterations. + iteration 558: trace = 2.532226606089671 (5.43505e-10% change) + large trace change predicted (1.20904e-09%) + linmin: converged after 12 iterations. + iteration 559: trace = 2.53222660605905 (1.20926e-09% change) + resetting CG direction... + linmin: converged after 3 iterations. + iteration 560: trace = 2.532226606048331 (4.23285e-10% change) linmin: converged after 9 iterations. - iteration 576: trace = 2.532226605451706 (5.00485e-10% change) - linmin: converged after 15 iterations. - iteration 577: trace = 2.532226605442634 (3.58238e-10% change) - large trace change predicted (8.04118e-10%) + iteration 561: trace = 2.532226606029714 (7.35207e-10% change) + linmin: converged after 6 iterations. + iteration 562: trace = 2.532226605999816 (1.18069e-09% change) + linmin: converged after 7 iterations. + iteration 563: trace = 2.532226605986579 (5.22758e-10% change) + large trace change predicted (1.40467e-09%) + linmin: converged after 6 iterations. + iteration 564: trace = 2.532226605951014 (1.40447e-09% change) + linmin: converged after 3 iterations. + iteration 565: trace = 2.532226605889662 (2.42288e-09% change) + linmin: converged after 5 iterations. + iteration 566: trace = 2.532226605875329 (5.66005e-10% change) + large trace change predicted (2.38747e-09%) + linmin: converged after 19 iterations. + iteration 567: trace = 2.532226605814869 (2.38763e-09% change) + linmin: converged after 5 iterations. + iteration 568: trace = 2.532226605791576 (9.19859e-10% change) + linmin: converged after 21 iterations. + iteration 569: trace = 2.532226605752169 (1.55624e-09% change) + linmin: converged after 18 iterations. + iteration 570: trace = 2.532226605710538 (1.64402e-09% change) + linmin: converged after 5 iterations. + iteration 571: trace = 2.532226605698125 (4.90226e-10% change) + large trace change predicted (1.39112e-09%) linmin: converged after 4 iterations. - iteration 578: trace = 2.532226605422269 (8.04235e-10% change) - linmin: converged after 16 iterations. - iteration 579: trace = 2.532226605397448 (9.80223e-10% change) + iteration 572: trace = 2.532226605662898 (1.39113e-09% change) linmin: converged after 14 iterations. - iteration 580: trace = 2.532226605389615 (3.09344e-10% change) - large trace change predicted (1.03181e-09%) - linmin: converged after 5 iterations. - iteration 581: trace = 2.532226605363478 (1.03215e-09% change) + iteration 573: trace = 2.532226605629677 (1.31195e-09% change) + linmin: converged after 12 iterations. + iteration 574: trace = 2.532226605621754 (3.12869e-10% change) + large trace change predicted (1.39139e-09%) linmin: converged after 19 iterations. - iteration 582: trace = 2.532226605339899 (9.31171e-10% change) + iteration 575: trace = 2.532226605586523 (1.3913e-09% change) linmin: converged after 9 iterations. - iteration 583: trace = 2.532226605322448 (6.89154e-10% change) - large trace change predicted (1.48305e-09%) + iteration 576: trace = 2.532226605575369 (4.40472e-10% change) + linmin: converged after 11 iterations. + iteration 577: trace = 2.532226605563526 (4.67708e-10% change) + linmin: converged after 12 iterations. + iteration 578: trace = 2.532226605546429 (6.75194e-10% change) linmin: converged after 4 iterations. - iteration 584: trace = 2.532226605284889 (1.48322e-09% change) - linmin: converged after 9 iterations. - iteration 585: trace = 2.532226605252411 (1.2826e-09% change) + iteration 579: trace = 2.532226605532244 (5.60148e-10% change) + linmin: converged after 2 iterations. + iteration 580: trace = 2.532226605518335 (5.49292e-10% change) + large trace change predicted (1.59877e-09%) linmin: converged after 4 iterations. - iteration 586: trace = 2.53222660523769 (5.81351e-10% change) - large trace change predicted (1.69467e-09%) + iteration 581: trace = 2.532226605477846 (1.59896e-09% change) + linmin: converged after 5 iterations. + iteration 582: trace = 2.532226605469111 (3.44928e-10% change) + large trace change predicted (1.92345e-09%) linmin: converged after 10 iterations. - iteration 587: trace = 2.532226605194783 (1.69442e-09% change) - linmin: converged after 3 iterations. - iteration 588: trace = 2.532226605169754 (9.88449e-10% change) - linmin: converged after 9 iterations. - iteration 589: trace = 2.53222660516193 (3.08941e-10% change) - large trace change predicted (8.09546e-10%) + iteration 583: trace = 2.532226605420411 (1.92321e-09% change) + linmin: converged after 8 iterations. + iteration 584: trace = 2.532226605374193 (1.8252e-09% change) + linmin: converged after 12 iterations. + iteration 585: trace = 2.532226605342384 (1.25618e-09% change) + linmin: converged after 5 iterations. + iteration 586: trace = 2.532226605319636 (8.98341e-10% change) + linmin: converged after 15 iterations. + iteration 587: trace = 2.532226605282331 (1.47318e-09% change) + linmin: converged after 18 iterations. + iteration 588: trace = 2.532226605262987 (7.63916e-10% change) + linmin: converged after 13 iterations. + iteration 589: trace = 2.532226605255872 (2.81003e-10% change) + large trace change predicted (9.80404e-10%) + linmin: converged after 6 iterations. + iteration 590: trace = 2.53222660523104 (9.80627e-10% change) linmin: converged after 3 iterations. - iteration 590: trace = 2.532226605141435 (8.09391e-10% change) + iteration 591: trace = 2.532226605212366 (7.37452e-10% change) linmin: converged after 4 iterations. - iteration 591: trace = 2.532226605122277 (7.56568e-10% change) - linmin: converged after 4 iterations. - iteration 592: trace = 2.532226605113052 (3.64289e-10% change) + iteration 592: trace = 2.532226605192494 (7.84768e-10% change) linmin: converged after 3 iterations. - iteration 593: trace = 2.532226605096785 (6.42399e-10% change) - linmin: converged after 11 iterations. - iteration 594: trace = 2.532226605071255 (1.00823e-09% change) - linmin: converged after 15 iterations. - iteration 595: trace = 2.532226605065208 (2.38773e-10% change) - large trace change predicted (1.11555e-09%) - linmin: converged after 4 iterations. - iteration 596: trace = 2.532226605036951 (1.11591e-09% change) + iteration 593: trace = 2.532226605177269 (6.01238e-10% change) linmin: converged after 4 iterations. - iteration 597: trace = 2.532226605011912 (9.88799e-10% change) - linmin: converged after 4 iterations. - iteration 598: trace = 2.532226604999558 (4.87893e-10% change) - large trace change predicted (1.53438e-09%) + iteration 594: trace = 2.532226605147853 (1.16168e-09% change) + linmin: converged after 6 iterations. + iteration 595: trace = 2.532226605141454 (2.52698e-10% change) + large trace change predicted (1.12412e-09%) + linmin: converged after 25 iterations. + iteration 596: trace = 2.532226605112977 (1.12457e-09% change) linmin: converged after 5 iterations. - iteration 599: trace = 2.532226604960699 (1.53457e-09% change) + iteration 597: trace = 2.532226605088893 (9.51094e-10% change) + linmin: converged after 3 iterations. + iteration 598: trace = 2.532226605077087 (4.66252e-10% change) + large trace change predicted (1.63683e-09%) linmin: converged after 6 iterations. - iteration 600: trace = 2.532226604943441 (6.81542e-10% change) + iteration 599: trace = 2.532226605035646 (1.63655e-09% change) linmin: converged after 4 iterations. - iteration 601: trace = 2.532226604920721 (8.97218e-10% change) - linmin: converged after 2 iterations. - iteration 602: trace = 2.5322266048963 (9.64405e-10% change) + iteration 600: trace = 2.532226605009916 (1.01609e-09% change) linmin: converged after 4 iterations. - iteration 603: trace = 2.532226604890242 (2.39229e-10% change) - large trace change predicted (1.21565e-09%) - linmin: converged after 8 iterations. - iteration 604: trace = 2.532226604859475 (1.21502e-09% change) + iteration 601: trace = 2.532226604984191 (1.01589e-09% change) + linmin: converged after 27 iterations. + iteration 602: trace = 2.532226604947007 (1.46843e-09% change) + linmin: converged after 18 iterations. + iteration 603: trace = 2.532226604935718 (4.45838e-10% change) linmin: converged after 4 iterations. - iteration 605: trace = 2.532226604847395 (4.77055e-10% change) - linmin: converged after 15 iterations. - iteration 606: trace = 2.532226604835143 (4.83842e-10% change) - linmin: converged after 7 iterations. - iteration 607: trace = 2.532226604817381 (7.01465e-10% change) - linmin: converged after 15 iterations. - iteration 608: trace = 2.532226604797039 (8.03323e-10% change) - linmin: converged after 3 iterations. - iteration 609: trace = 2.532226604793828 (1.26796e-10% change) - large trace change predicted (5.90518e-10%) - linmin: converged after 8 iterations. - iteration 610: trace = 2.532226604778882 (5.90225e-10% change) - linmin: converged after 12 iterations. - iteration 611: trace = 2.532226604768759 (3.99785e-10% change) + iteration 604: trace = 2.532226604916912 (7.4266e-10% change) linmin: converged after 2 iterations. - iteration 612: trace = 2.532226604763534 (2.06346e-10% change) - large trace change predicted (6.45542e-10%) - linmin: converged after 4 iterations. - iteration 613: trace = 2.532226604747184 (6.45678e-10% change) - linmin: converged after 15 iterations. - iteration 614: trace = 2.532226604715724 (1.24236e-09% change) + iteration 605: trace = 2.532226604896281 (8.14722e-10% change) + linmin: converged after 12 iterations. + iteration 606: trace = 2.532226604890777 (2.1736e-10% change) + large trace change predicted (7.21563e-10%) + linmin: converged after 13 iterations. + iteration 607: trace = 2.532226604872506 (7.21545e-10% change) linmin: converged after 11 iterations. - iteration 615: trace = 2.532226604710788 (1.94947e-10% change) - large trace change predicted (1.09362e-09%) + iteration 608: trace = 2.53222660485834 (5.59411e-10% change) + linmin: converged after 9 iterations. + iteration 609: trace = 2.532226604853105 (2.06767e-10% change) + large trace change predicted (7.67424e-10%) linmin: converged after 4 iterations. - iteration 616: trace = 2.532226604683095 (1.0936e-09% change) - linmin: converged after 25 iterations. - iteration 617: trace = 2.532226604661638 (8.47377e-10% change) + iteration 610: trace = 2.532226604833684 (7.66932e-10% change) linmin: converged after 5 iterations. - iteration 618: trace = 2.532226604657047 (1.81285e-10% change) - large trace change predicted (6.95973e-10%) + iteration 611: trace = 2.532226604821211 (4.92576e-10% change) + linmin: converged after 7 iterations. + iteration 612: trace = 2.532226604813329 (3.11273e-10% change) + large trace change predicted (7.28958e-10%) + linmin: converged after 19 iterations. + iteration 613: trace = 2.532226604794866 (7.29122e-10% change) linmin: converged after 4 iterations. - iteration 619: trace = 2.532226604639426 (6.95888e-10% change) - linmin: converged after 17 iterations. - iteration 620: trace = 2.532226604627763 (4.60552e-10% change) + iteration 614: trace = 2.532226604785251 (3.79704e-10% change) + large trace change predicted (1.05346e-09%) + linmin: converged after 21 iterations. + iteration 615: trace = 2.532226604758572 (1.05358e-09% change) + linmin: converged after 6 iterations. + iteration 616: trace = 2.532226604721815 (1.45154e-09% change) linmin: converged after 9 iterations. - iteration 621: trace = 2.532226604623508 (1.68062e-10% change) - large trace change predicted (5.33152e-10%) + iteration 617: trace = 2.532226604706812 (5.92504e-10% change) linmin: converged after 6 iterations. - iteration 622: trace = 2.532226604609999 (5.33473e-10% change) + iteration 618: trace = 2.532226604699451 (2.90667e-10% change) + large trace change predicted (7.92201e-10%) + linmin: converged after 4 iterations. + iteration 619: trace = 2.532226604679395 (7.92046e-10% change) + linmin: converged after 5 iterations. + iteration 620: trace = 2.532226604661755 (6.96625e-10% change) linmin: converged after 6 iterations. - iteration 623: trace = 2.532226604598838 (4.40752e-10% change) + iteration 621: trace = 2.532226604657339 (1.74393e-10% change) + large trace change predicted (4.94903e-10%) + linmin: converged after 15 iterations. + iteration 622: trace = 2.532226604644798 (4.95259e-10% change) + linmin: converged after 3 iterations. + iteration 623: trace = 2.532226604635226 (3.77986e-10% change) + linmin: converged after 9 iterations. + iteration 624: trace = 2.53222660463116 (1.60591e-10% change) + large trace change predicted (3.66562e-10%) + linmin: converged after 4 iterations. + iteration 625: trace = 2.532226604621886 (3.66253e-10% change) + linmin: converged after 4 iterations. + iteration 626: trace = 2.532226604617829 (1.60188e-10% change) linmin: converged after 9 iterations. - iteration 624: trace = 2.532226604596985 (7.32015e-11% change) -Finished solving for bands 1 to 10 after 624 iterations. + iteration 627: trace = 2.53222660461473 (1.22394e-10% change) + large trace change predicted (4.44063e-10%) + linmin: converged after 7 iterations. + iteration 628: trace = 2.532226604603474 (4.44505e-10% change) + linmin: converged after 4 iterations. + iteration 629: trace = 2.532226604592284 (4.4191e-10% change) + resetting CG direction... + linmin: converged after 6 iterations. + iteration 630: trace = 2.532226604582339 (3.92717e-10% change) + linmin: converged after 3 iterations. + iteration 631: trace = 2.532226604573276 (3.5794e-10% change) + linmin: converged after 3 iterations. + iteration 632: trace = 2.532226604570749 (9.97884e-11% change) +Finished solving for bands 1 to 10 after 632 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: 21.419224977493286 +elapsed time for k point: 48.956071615219116 solve_kpoint (0.166667,0.166667,0): Solving for bands 1 to 10... - linmin: converged after 6 iterations. - iteration 1: trace = 2.553205790621448 (2.55578% change) - linmin: converged after 6 iterations. - iteration 2: trace = 2.488913238697005 (2.55022% change) - linmin: converged after 4 iterations. - iteration 3: trace = 2.465199254755904 (0.957345% change) - linmin: converged after 8 iterations. - iteration 4: trace = 2.460842870020524 (0.176872% change) - large trace change predicted (0.41962%) + linmin: converged after 5 iterations. + iteration 1: trace = 2.553206104344365 (2.55578% change) + linmin: converged after 5 iterations. + iteration 2: trace = 2.488913498561499 (2.55022% change) linmin: converged after 4 iterations. - iteration 5: trace = 2.450658433528779 (0.414718% change) + iteration 3: trace = 2.465199460487911 (0.957347% change) + linmin: converged after 5 iterations. + iteration 4: trace = 2.460843040946872 (0.176873% change) + large trace change predicted (0.419623%) linmin: converged after 4 iterations. - iteration 6: trace = 2.44793737247712 (0.111096% change) + iteration 5: trace = 2.450658532996489 (0.414721% change) linmin: converged after 4 iterations. - iteration 7: trace = 2.445239313495162 (0.110278% change) - linmin: converged after 3 iterations. - iteration 8: trace = 2.442317503762355 (0.119561% change) + iteration 6: trace = 2.447937424542832 (0.111097% change) linmin: converged after 4 iterations. - iteration 9: trace = 2.441409215710333 (0.0371965% change) + iteration 7: trace = 2.445239366441091 (0.110278% change) linmin: converged after 4 iterations. - iteration 10: trace = 2.439907628170731 (0.0615239% change) + iteration 8: trace = 2.442317513438649 (0.119563% change) + linmin: converged after 3 iterations. + iteration 9: trace = 2.441409221731864 (0.0371967% change) linmin: converged after 4 iterations. - iteration 11: trace = 2.43940340313637 (0.0206679% change) + iteration 10: trace = 2.439907622159866 (0.0615244% change) linmin: converged after 3 iterations. - iteration 12: trace = 2.438989968456584 (0.0169496% change) + iteration 11: trace = 2.43940338872662 (0.0206682% change) + linmin: converged after 4 iterations. + iteration 12: trace = 2.438989955699298 (0.0169496% change) linmin: converged after 3 iterations. - iteration 13: trace = 2.438435761904823 (0.0227254% change) + iteration 13: trace = 2.43843574289801 (0.0227256% change) linmin: converged after 4 iterations. - iteration 14: trace = 2.438281771534775 (0.00631533% change) + iteration 14: trace = 2.438281755459201 (0.00631521% change) large trace change predicted (0.0151056%) linmin: converged after 3 iterations. - iteration 15: trace = 2.437911257135296 (0.0151969% change) + iteration 15: trace = 2.437911242401986 (0.0151968% change) linmin: converged after 3 iterations. - iteration 16: trace = 2.437756492356261 (0.00634845% change) + iteration 16: trace = 2.437756475578969 (0.00634854% change) linmin: converged after 3 iterations. - iteration 17: trace = 2.437475053090656 (0.0115457% change) + iteration 17: trace = 2.437475039441398 (0.0115455% change) linmin: converged after 4 iterations. - iteration 18: trace = 2.437033013528584 (0.0181368% change) + iteration 18: trace = 2.437032996578846 (0.0181369% change) linmin: converged after 4 iterations. - iteration 19: trace = 2.436850970476376 (0.00747014% change) + iteration 19: trace = 2.436850958951055 (0.00746992% change) linmin: converged after 4 iterations. - iteration 20: trace = 2.436522596811718 (0.0134762% change) + iteration 20: trace = 2.436522585001786 (0.0134762% change) linmin: converged after 4 iterations. - iteration 21: trace = 2.436395585286843 (0.00521296% change) - large trace change predicted (0.0178791%) + iteration 21: trace = 2.43639557188364 (0.00521302% change) + large trace change predicted (0.017879%) linmin: converged after 4 iterations. - iteration 22: trace = 2.43595471994275 (0.0180966% change) + iteration 22: trace = 2.435954708684891 (0.0180965% change) linmin: converged after 4 iterations. - iteration 23: trace = 2.435746502242666 (0.00854805% change) - linmin: converged after 3 iterations. - iteration 24: trace = 2.435488727702074 (0.0105835% change) + iteration 23: trace = 2.435746486323456 (0.00854824% change) linmin: converged after 4 iterations. - iteration 25: trace = 2.435193433965148 (0.0121254% change) - linmin: converged after 7 iterations. - iteration 26: trace = 2.435111803466801 (0.00335217% change) - large trace change predicted (0.0170019%) + iteration 24: trace = 2.435488720319515 (0.0105832% change) linmin: converged after 4 iterations. - iteration 27: trace = 2.434694804084818 (0.0171259% change) + iteration 25: trace = 2.435193421445953 (0.0121256% change) linmin: converged after 3 iterations. - iteration 28: trace = 2.434620961955467 (0.00303296% change) - large trace change predicted (0.0100121%) + iteration 26: trace = 2.435111790634375 (0.00335218% change) + large trace change predicted (0.017002%) linmin: converged after 3 iterations. - iteration 29: trace = 2.43437688615835 (0.0100257% change) - linmin: converged after 4 iterations. - iteration 30: trace = 2.434193209974826 (0.00754539% change) + iteration 27: trace = 2.434694790145458 (0.017126% change) linmin: converged after 3 iterations. - iteration 31: trace = 2.43408129616119 (0.00459768% change) - linmin: converged after 7 iterations. - iteration 32: trace = 2.43391401671721 (0.00687262% change) + iteration 28: trace = 2.434620945816452 (0.00303305% change) + large trace change predicted (0.0100119%) linmin: converged after 3 iterations. - iteration 33: trace = 2.433862481255047 (0.00211741% change) - large trace change predicted (0.00703863%) + iteration 29: trace = 2.434376873212797 (0.0100256% change) + linmin: converged after 5 iterations. + iteration 30: trace = 2.434193191591104 (0.00754561% change) linmin: converged after 3 iterations. - iteration 34: trace = 2.433691129389797 (0.00704057% change) + iteration 31: trace = 2.434081281183571 (0.00459754% change) linmin: converged after 4 iterations. - iteration 35: trace = 2.433624304194898 (0.00274587% change) - large trace change predicted (0.00707824%) + iteration 32: trace = 2.43391399908119 (0.00687273% change) + linmin: converged after 3 iterations. + iteration 33: trace = 2.433862463887713 (0.0021174% change) + large trace change predicted (0.0070387%) linmin: converged after 3 iterations. - iteration 36: trace = 2.433451857381121 (0.00708626% change) + iteration 34: trace = 2.433691110310347 (0.00704064% change) linmin: converged after 3 iterations. - iteration 37: trace = 2.433377299996253 (0.0030639% change) + iteration 35: trace = 2.433624283798415 (0.00274593% change) + large trace change predicted (0.00707825%) linmin: converged after 4 iterations. - iteration 38: trace = 2.433271894258777 (0.00433176% change) + iteration 36: trace = 2.433451836812114 (0.00708627% change) + linmin: converged after 3 iterations. + iteration 37: trace = 2.433377278545457 (0.00306394% change) + linmin: converged after 5 iterations. + iteration 38: trace = 2.433271874347427 (0.00433169% change) linmin: converged after 3 iterations. - iteration 39: trace = 2.433178234182453 (0.00384922% change) + iteration 39: trace = 2.433178213114572 (0.00384926% change) linmin: converged after 3 iterations. - iteration 40: trace = 2.433135864364515 (0.00174135% change) - large trace change predicted (0.00592597%) + iteration 40: trace = 2.433135843829523 (0.00174133% change) + large trace change predicted (0.00592594%) linmin: converged after 3 iterations. - iteration 41: trace = 2.432991500184515 (0.00593343% change) + iteration 41: trace = 2.432991480320981 (0.0059334% change) linmin: converged after 3 iterations. - iteration 42: trace = 2.432956063817808 (0.0014565% change) - large trace change predicted (0.0070595%) + iteration 42: trace = 2.432956043704794 (0.00145651% change) + large trace change predicted (0.00705934%) linmin: converged after 3 iterations. - iteration 43: trace = 2.432783990955872 (0.00707283% change) + iteration 43: trace = 2.432783974910766 (0.00707267% change) linmin: converged after 4 iterations. - iteration 44: trace = 2.432719839586028 (0.00263699% change) - large trace change predicted (0.00567853%) + iteration 44: trace = 2.43271982317603 (0.002637% change) + large trace change predicted (0.0056785%) linmin: converged after 3 iterations. - iteration 45: trace = 2.432580667128755 (0.00572102% change) + iteration 45: trace = 2.432580651395931 (0.00572099% change) linmin: converged after 3 iterations. - iteration 46: trace = 2.432479336362056 (0.00416565% change) + iteration 46: trace = 2.432479326022308 (0.00416543% change) linmin: converged after 3 iterations. - iteration 47: trace = 2.432285019119929 (0.00798876% change) + iteration 47: trace = 2.432285006009655 (0.00798888% change) linmin: converged after 3 iterations. - iteration 48: trace = 2.432170765713327 (0.00469748% change) + iteration 48: trace = 2.432170757745925 (0.00469727% change) linmin: converged after 3 iterations. - iteration 49: trace = 2.43205259750985 (0.00485867% change) + iteration 49: trace = 2.432052586045419 (0.00485881% change) + linmin: converged after 8 iterations. + iteration 50: trace = 2.431877494826645 (0.00719958% change) linmin: converged after 3 iterations. - iteration 50: trace = 2.431877499914179 (0.00719984% change) + iteration 51: trace = 2.431795686346581 (0.00336406% change) linmin: converged after 3 iterations. - iteration 51: trace = 2.431795698368098 (0.00336378% change) - linmin: converged after 5 iterations. - iteration 52: trace = 2.431696362779601 (0.00408495% change) + iteration 52: trace = 2.431696355190592 (0.00408477% change) linmin: converged after 4 iterations. - iteration 53: trace = 2.431636735215938 (0.00245213% change) - large trace change predicted (0.00592308%) + iteration 53: trace = 2.431636726314503 (0.00245218% change) + large trace change predicted (0.00592318%) linmin: converged after 3 iterations. - iteration 54: trace = 2.431492380695374 (0.00593669% change) + iteration 54: trace = 2.431492369482427 (0.00593679% change) linmin: converged after 4 iterations. - iteration 55: trace = 2.431457137418089 (0.00144946% change) - large trace change predicted (0.00664172%) - linmin: converged after 5 iterations. - iteration 56: trace = 2.431295722204049 (0.00663884% change) + iteration 55: trace = 2.431457127502282 (0.00144941% change) + large trace change predicted (0.00664176%) linmin: converged after 3 iterations. - iteration 57: trace = 2.431257057177065 (0.00159032% change) - large trace change predicted (0.00464771%) - linmin: converged after 4 iterations. - iteration 58: trace = 2.431144068753099 (0.00464743% change) + iteration 56: trace = 2.431295711286348 (0.00663888% change) + linmin: converged after 3 iterations. + iteration 57: trace = 2.431257047767967 (0.00159026% change) + large trace change predicted (0.00464783%) + linmin: converged after 3 iterations. + iteration 58: trace = 2.43114405651188 (0.00464755% change) linmin: converged after 4 iterations. - iteration 59: trace = 2.431090029143752 (0.00222283% change) + iteration 59: trace = 2.431090024933202 (0.0022225% change) linmin: converged after 4 iterations. - iteration 60: trace = 2.431016690053393 (0.00301676% change) + iteration 60: trace = 2.431016675701818 (0.00301718% change) linmin: converged after 3 iterations. - iteration 61: trace = 2.430957035925643 (0.00245391% change) - linmin: converged after 4 iterations. - iteration 62: trace = 2.430908601939359 (0.0019924% change) + iteration 61: trace = 2.43095703344479 (0.00245342% change) + linmin: converged after 5 iterations. + iteration 62: trace = 2.430908587582258 (0.00199289% change) linmin: converged after 4 iterations. - iteration 63: trace = 2.430849617811282 (0.00242645% change) + iteration 63: trace = 2.430849613640095 (0.00242603% change) linmin: converged after 3 iterations. - iteration 64: trace = 2.430813232221527 (0.00149684% change) + iteration 64: trace = 2.430813219160917 (0.0014972% change) linmin: converged after 4 iterations. - iteration 65: trace = 2.430743311495022 (0.00287647% change) + iteration 65: trace = 2.430743303893036 (0.00287625% change) linmin: converged after 3 iterations. - iteration 66: trace = 2.430720436219301 (0.000941086% change) - large trace change predicted (0.00257259%) + iteration 66: trace = 2.430720424059347 (0.000941273% change) + large trace change predicted (0.00257252%) linmin: converged after 3 iterations. - iteration 67: trace = 2.430657818551803 (0.00257613% change) + iteration 67: trace = 2.430657807962034 (0.00257606% change) linmin: converged after 4 iterations. - iteration 68: trace = 2.430628246220045 (0.00121665% change) - large trace change predicted (0.00251853%) - linmin: converged after 3 iterations. - iteration 69: trace = 2.43056702477033 (0.00251878% change) + iteration 68: trace = 2.430628241068615 (0.00121642% change) + large trace change predicted (0.00251884%) + linmin: converged after 5 iterations. + iteration 69: trace = 2.430567011881923 (0.0025191% change) resetting CG direction... linmin: converged after 4 iterations. - iteration 70: trace = 2.430539098081382 (0.00114898% change) - linmin: converged after 3 iterations. - iteration 71: trace = 2.430504606749671 (0.00141909% change) - linmin: converged after 5 iterations. - iteration 72: trace = 2.430479149459877 (0.00104741% change) - linmin: converged after 16 iterations. - iteration 73: trace = 2.430467696999023 (0.000471203% change) - linmin: converged after 3 iterations. - iteration 74: trace = 2.430449159324092 (0.000762723% change) + iteration 70: trace = 2.430539101948237 (0.0011483% change) linmin: converged after 4 iterations. - iteration 75: trace = 2.430430808529334 (0.00075504% change) + iteration 71: trace = 2.430504593593473 (0.00141979% change) linmin: converged after 3 iterations. - iteration 76: trace = 2.430421391604532 (0.00038746% change) - large trace change predicted (0.000998066%) + iteration 72: trace = 2.430479137994748 (0.00104734% change) linmin: converged after 4 iterations. - iteration 77: trace = 2.430397160154567 (0.000997011% change) - linmin: converged after 4 iterations. - iteration 78: trace = 2.430362041417878 (0.00144499% change) - linmin: converged after 5 iterations. - iteration 79: trace = 2.430349773461511 (0.00050478% change) - large trace change predicted (0.00196753%) + iteration 73: trace = 2.430467694618596 (0.000470829% change) linmin: converged after 3 iterations. - iteration 80: trace = 2.430301915585337 (0.0019692% change) + iteration 74: trace = 2.430449147057676 (0.00076313% change) linmin: converged after 3 iterations. - iteration 81: trace = 2.430250372503576 (0.00212087% change) - linmin: converged after 4 iterations. - iteration 82: trace = 2.430232623395246 (0.000730343% change) - large trace change predicted (0.0037629%) - linmin: converged after 4 iterations. - iteration 83: trace = 2.4301412371588 (0.00376046% change) + iteration 75: trace = 2.430430797017544 (0.000755009% change) linmin: converged after 3 iterations. - iteration 84: trace = 2.43010514343224 (0.00148526% change) + iteration 76: trace = 2.430421389347781 (0.000387079% change) + large trace change predicted (0.00099847%) + linmin: converged after 5 iterations. + iteration 77: trace = 2.430397148015877 (0.000997418% change) + linmin: converged after 7 iterations. + iteration 78: trace = 2.430362026829678 (0.00144509% change) linmin: converged after 4 iterations. - iteration 85: trace = 2.430052021784968 (0.00218601% change) + iteration 79: trace = 2.43034976059354 (0.000504709% change) + large trace change predicted (0.00196765%) linmin: converged after 3 iterations. - iteration 86: trace = 2.430006083395427 (0.00189045% change) - linmin: converged after 4 iterations. - iteration 87: trace = 2.429964346006139 (0.0017176% change) + iteration 80: trace = 2.43030189992501 (0.00196931% change) linmin: converged after 3 iterations. - iteration 88: trace = 2.429930826247921 (0.00137944% change) - linmin: converged after 11 iterations. - iteration 89: trace = 2.429891868073963 (0.00160328% change) + iteration 81: trace = 2.430250231989078 (0.00212601% change) linmin: converged after 4 iterations. - iteration 90: trace = 2.429864867882209 (0.00111117% change) + iteration 82: trace = 2.430232224422865 (0.000740979% change) + large trace change predicted (0.00374823%) + linmin: converged after 9 iterations. + iteration 83: trace = 2.430141193849272 (0.00374583% change) + linmin: converged after 3 iterations. + iteration 84: trace = 2.43010258234925 (0.00158887% change) + linmin: converged after 3 iterations. + iteration 85: trace = 2.430051978691291 (0.00208239% change) linmin: converged after 5 iterations. - iteration 91: trace = 2.42984402391576 (0.000857828% change) + iteration 86: trace = 2.430006070310576 (0.00188921% change) + linmin: converged after 7 iterations. + iteration 87: trace = 2.429964008499221 (0.00173095% change) + linmin: converged after 3 iterations. + iteration 88: trace = 2.429930806750185 (0.00136636% change) + linmin: converged after 3 iterations. + iteration 89: trace = 2.429891842506373 (0.00160353% change) linmin: converged after 3 iterations. - iteration 92: trace = 2.429825103839935 (0.000778657% change) + iteration 90: trace = 2.429864032013273 (0.00114452% change) linmin: converged after 4 iterations. - iteration 93: trace = 2.429820292443241 (0.000198014% change) + iteration 91: trace = 2.429844008509273 (0.000824062% change) linmin: converged after 3 iterations. - iteration 94: trace = 2.429811482297379 (0.000362585% change) - linmin: converged after 14 iterations. - iteration 95: trace = 2.429799286673712 (0.000501918% change) + iteration 92: trace = 2.429825041617156 (0.000780584% change) + linmin: converged after 6 iterations. + iteration 93: trace = 2.429820258643639 (0.000196845% change) + linmin: converged after 3 iterations. + iteration 94: trace = 2.429811470263942 (0.000361689% change) + linmin: converged after 6 iterations. + iteration 95: trace = 2.429799178469477 (0.000505876% change) linmin: converged after 3 iterations. - iteration 96: trace = 2.429796371916487 (0.000119959% change) - large trace change predicted (0.000516904%) + iteration 96: trace = 2.429796353316077 (0.000116271% change) + large trace change predicted (0.000516661%) linmin: converged after 3 iterations. - iteration 97: trace = 2.429783813738664 (0.000516842% change) + iteration 97: trace = 2.429783801046085 (0.000516599% change) linmin: converged after 3 iterations. - iteration 98: trace = 2.429779151397187 (0.000191883% change) - large trace change predicted (0.000403624%) + iteration 98: trace = 2.429779102216484 (0.000193385% change) + large trace change predicted (0.000402147%) linmin: converged after 3 iterations. - iteration 99: trace = 2.429769350189761 (0.000403379% change) + iteration 99: trace = 2.429769336885798 (0.000401903% change) + linmin: converged after 3 iterations. + iteration 100: trace = 2.429751309984611 (0.000741921% change) linmin: converged after 4 iterations. - iteration 100: trace = 2.429751340478064 (0.000741213% change) - linmin: converged after 5 iterations. - iteration 101: trace = 2.429742382082464 (0.000368697% change) - large trace change predicted (0.00142086%) + iteration 101: trace = 2.429742305046414 (0.000370612% change) + large trace change predicted (0.00141892%) linmin: converged after 4 iterations. - iteration 102: trace = 2.429707985013141 (0.00141568% change) + iteration 102: trace = 2.429707953956774 (0.00141379% change) linmin: converged after 4 iterations. - iteration 103: trace = 2.429664848526827 (0.00177539% change) - linmin: converged after 5 iterations. - iteration 104: trace = 2.429647100743156 (0.000730465% change) + iteration 103: trace = 2.429664833386448 (0.00177474% change) + linmin: converged after 3 iterations. + iteration 104: trace = 2.429647085711951 (0.00073046% change) large trace change predicted (0.00236241%) linmin: converged after 4 iterations. - iteration 105: trace = 2.429590054218317 (0.00234796% change) - linmin: converged after 4 iterations. - iteration 106: trace = 2.429562480259027 (0.00113493% change) - linmin: converged after 4 iterations. - iteration 107: trace = 2.429535154296641 (0.00112473% change) - linmin: converged after 5 iterations. - iteration 108: trace = 2.429519732903807 (0.000634749% change) - linmin: converged after 4 iterations. - iteration 109: trace = 2.42951219614592 (0.000310216% change) - linmin: converged after 5 iterations. - iteration 110: trace = 2.429498081352979 (0.000580974% change) - linmin: converged after 10 iterations. - iteration 111: trace = 2.429487760929294 (0.000424797% change) + iteration 105: trace = 2.4295900363785 (0.00234808% change) linmin: converged after 3 iterations. - iteration 112: trace = 2.429483243074665 (0.000185959% change) - large trace change predicted (0.000475034%) + iteration 106: trace = 2.429562020031675 (0.00115314% change) linmin: converged after 3 iterations. - iteration 113: trace = 2.429471695092463 (0.000475328% change) + iteration 107: trace = 2.429535140837134 (0.00110635% change) + linmin: converged after 6 iterations. + iteration 108: trace = 2.429519729451343 (0.000634337% change) + linmin: converged after 5 iterations. + iteration 109: trace = 2.429512203214932 (0.000309783% change) linmin: converged after 3 iterations. - iteration 114: trace = 2.429465138123002 (0.000269893% change) - linmin: converged after 4 iterations. - iteration 115: trace = 2.42945938055594 (0.000236989% change) - large trace change predicted (0.000647843%) - linmin: converged after 4 iterations. - iteration 116: trace = 2.42944361413424 (0.00064897% change) - linmin: converged after 14 iterations. - iteration 117: trace = 2.429438400041199 (0.000214621% change) - large trace change predicted (0.000450964%) + iteration 110: trace = 2.429498074008008 (0.000581567% change) linmin: converged after 3 iterations. - iteration 118: trace = 2.429427430525862 (0.000451526% change) + iteration 111: trace = 2.429487941002646 (0.000417083% change) linmin: converged after 3 iterations. - iteration 119: trace = 2.429413713505623 (0.000564621% change) + iteration 112: trace = 2.429483239701276 (0.00019351% change) + large trace change predicted (0.000475393%) linmin: converged after 3 iterations. - iteration 120: trace = 2.4294083390858 (0.000221223% change) - large trace change predicted (0.000901689%) - linmin: converged after 4 iterations. - iteration 121: trace = 2.429386329284622 (0.000905978% change) + iteration 113: trace = 2.429471682901723 (0.000475691% change) linmin: converged after 3 iterations. - iteration 122: trace = 2.429375863255854 (0.00043081% change) - linmin: converged after 4 iterations. - iteration 123: trace = 2.429364826988096 (0.000454285% change) - large trace change predicted (0.00110555%) + iteration 114: trace = 2.429464969181374 (0.000276345% change) + linmin: converged after 5 iterations. + iteration 115: trace = 2.429459368874106 (0.000230516% change) + large trace change predicted (0.000647749%) linmin: converged after 3 iterations. - iteration 124: trace = 2.429337840515783 (0.00111085% change) + iteration 116: trace = 2.429443604502968 (0.000648886% change) linmin: converged after 4 iterations. - iteration 125: trace = 2.42933410208479 (0.000153887% change) - large trace change predicted (0.00052566%) - linmin: converged after 5 iterations. - iteration 126: trace = 2.429321314845719 (0.000526369% change) - linmin: converged after 5 iterations. - iteration 127: trace = 2.429312599559619 (0.000358755% change) + iteration 117: trace = 2.42943843321297 (0.000212859% change) + large trace change predicted (0.000453132%) linmin: converged after 5 iterations. - iteration 128: trace = 2.429307021087118 (0.000229632% change) - linmin: converged after 5 iterations. - iteration 129: trace = 2.42929958575789 (0.000306068% change) - linmin: converged after 4 iterations. - iteration 130: trace = 2.429296539788722 (0.000125385% change) - linmin: converged after 4 iterations. - iteration 131: trace = 2.429294305400699 (9.19768e-05% change) + iteration 118: trace = 2.4294274106353 (0.00045371% change) linmin: converged after 3 iterations. - iteration 132: trace = 2.429292122600523 (8.98533e-05% change) - linmin: converged after 4 iterations. - iteration 133: trace = 2.429291314686784 (3.32572e-05% change) - large trace change predicted (0.000157942%) + iteration 119: trace = 2.42941364851414 (0.000566478% change) linmin: converged after 3 iterations. - iteration 134: trace = 2.429287476323366 (0.000158004% change) + iteration 120: trace = 2.429408324222238 (0.00021916% change) + large trace change predicted (0.000901115%) linmin: converged after 3 iterations. - iteration 135: trace = 2.42928576979761 (7.0248e-05% change) + iteration 121: trace = 2.429386328994358 (0.000905378% change) linmin: converged after 3 iterations. - iteration 136: trace = 2.429284010270354 (7.24298e-05% change) - linmin: converged after 2 iterations. - iteration 137: trace = 2.429281362485154 (0.000108995% change) + iteration 122: trace = 2.429375866140113 (0.00043068% change) linmin: converged after 4 iterations. - iteration 138: trace = 2.42927809653981 (0.000134441% change) - linmin: converged after 3 iterations. - iteration 139: trace = 2.429275607822539 (0.000102447% change) - resetting CG direction... - linmin: converged after 3 iterations. - iteration 140: trace = 2.429274093062705 (6.23544e-05% change) + iteration 123: trace = 2.429364824564952 (0.000454504% change) + large trace change predicted (0.00110534%) + linmin: converged after 6 iterations. + iteration 124: trace = 2.429337843340085 (0.00111063% change) linmin: converged after 3 iterations. - iteration 141: trace = 2.429272890958271 (4.94841e-05% change) + iteration 125: trace = 2.429334113571463 (0.00015353% change) + large trace change predicted (0.000526693%) linmin: converged after 4 iterations. - iteration 142: trace = 2.429271249541947 (6.75682e-05% change) - linmin: converged after 3 iterations. - iteration 143: trace = 2.429270207995202 (4.28749e-05% change) + iteration 126: trace = 2.42932130123556 (0.000527403% change) linmin: converged after 3 iterations. - iteration 144: trace = 2.429268640513438 (6.45248e-05% change) - linmin: converged after 10 iterations. - iteration 145: trace = 2.429267029976984 (6.62972e-05% change) + iteration 127: trace = 2.429312780104025 (0.000350762% change) + linmin: converged after 4 iterations. + iteration 128: trace = 2.429307017362765 (0.000237217% change) + linmin: converged after 4 iterations. + iteration 129: trace = 2.429299582723174 (0.00030604% change) linmin: converged after 3 iterations. - iteration 146: trace = 2.42926645766938 (2.35589e-05% change) - large trace change predicted (8.02167e-05%) - linmin: converged after 5 iterations. - iteration 147: trace = 2.429264509693013 (8.01879e-05% change) + iteration 130: trace = 2.429296543364654 (0.000125113% change) + linmin: converged after 4 iterations. + iteration 131: trace = 2.42929429787209 (9.24339e-05% change) linmin: converged after 3 iterations. - iteration 148: trace = 2.429263383610925 (4.63549e-05% change) - linmin: converged after 14 iterations. - iteration 149: trace = 2.429261898029446 (6.11536e-05% change) + iteration 132: trace = 2.429292112192364 (8.99718e-05% change) linmin: converged after 3 iterations. - iteration 150: trace = 2.429259843228488 (8.45854e-05% change) - linmin: converged after 9 iterations. - iteration 151: trace = 2.429257075160755 (0.000113947% change) + iteration 133: trace = 2.429291278897963 (3.43019e-05% change) + large trace change predicted (0.00015665%) + linmin: converged after 4 iterations. + iteration 134: trace = 2.429287471801869 (0.000156716% change) linmin: converged after 3 iterations. - iteration 152: trace = 2.429255780909553 (5.32777e-05% change) - large trace change predicted (0.000132524%) + iteration 135: trace = 2.429285840860056 (6.71367e-05% change) linmin: converged after 3 iterations. - iteration 153: trace = 2.429252563104281 (0.000132461% change) + iteration 136: trace = 2.429284026643191 (7.46811e-05% change) + linmin: converged after 4 iterations. + iteration 137: trace = 2.42928135897577 (0.000109813% change) linmin: converged after 3 iterations. - iteration 154: trace = 2.42925184933551 (2.93822e-05% change) - large trace change predicted (0.000122656%) + iteration 138: trace = 2.429278087713223 (0.00013466% change) + linmin: converged after 4 iterations. + iteration 139: trace = 2.429275602045977 (0.000102321% change) + resetting CG direction... linmin: converged after 4 iterations. - iteration 155: trace = 2.429248872589175 (0.000122538% change) + iteration 140: trace = 2.429274088270041 (6.23139e-05% change) linmin: converged after 3 iterations. - iteration 156: trace = 2.429246901065232 (8.11578e-05% change) + iteration 141: trace = 2.429272884434416 (4.95554e-05% change) + linmin: converged after 7 iterations. + iteration 142: trace = 2.429271242610807 (6.7585e-05% change) + linmin: converged after 11 iterations. + iteration 143: trace = 2.429270204574811 (4.27304e-05% change) linmin: converged after 4 iterations. - iteration 157: trace = 2.429245882956419 (4.19105e-05% change) - large trace change predicted (0.000117697%) - linmin: converged after 5 iterations. - iteration 158: trace = 2.429243024087283 (0.000117686% change) - linmin: converged after 13 iterations. - iteration 159: trace = 2.42924113639769 (7.77069e-05% change) + iteration 144: trace = 2.429268634285056 (6.46404e-05% change) + linmin: converged after 4 iterations. + iteration 145: trace = 2.429267022605084 (6.63443e-05% change) linmin: converged after 3 iterations. - iteration 160: trace = 2.429240366777501 (3.16815e-05% change) - large trace change predicted (9.46388e-05%) - linmin: converged after 5 iterations. - iteration 161: trace = 2.429238068403595 (9.46129e-05% change) + iteration 146: trace = 2.429266447854222 (2.36594e-05% change) + large trace change predicted (8.00539e-05%) linmin: converged after 3 iterations. - iteration 162: trace = 2.429236539509766 (6.29372e-05% change) + iteration 147: trace = 2.42926450382117 (8.00255e-05% change) + linmin: converged after 4 iterations. + iteration 148: trace = 2.429263401691484 (4.53689e-05% change) + linmin: converged after 6 iterations. + iteration 149: trace = 2.429261892669454 (6.21185e-05% change) linmin: converged after 3 iterations. - iteration 163: trace = 2.429234987727312 (6.38795e-05% change) + iteration 150: trace = 2.429259839857294 (8.45036e-05% change) linmin: converged after 3 iterations. - iteration 164: trace = 2.429234256920607 (3.00838e-05% change) + iteration 151: trace = 2.429257278577902 (0.000105435% change) linmin: converged after 3 iterations. - iteration 165: trace = 2.429233883868129 (1.53568e-05% change) - large trace change predicted (3.28506e-05%) + iteration 152: trace = 2.429255784295259 (6.15119e-05% change) + large trace change predicted (0.000131646%) linmin: converged after 4 iterations. - iteration 166: trace = 2.429233085995593 (3.28446e-05% change) + iteration 153: trace = 2.4292525878272 (0.000131582% change) + linmin: converged after 2 iterations. + iteration 154: trace = 2.429251938719593 (2.67205e-05% change) + large trace change predicted (0.000126404%) linmin: converged after 4 iterations. - iteration 167: trace = 2.429232295160021 (3.2555e-05% change) + iteration 155: trace = 2.42924887078022 (0.000126292% change) linmin: converged after 3 iterations. - iteration 168: trace = 2.429232102888984 (7.91489e-06% change) - large trace change predicted (2.13645e-05%) + iteration 156: trace = 2.429247016096333 (7.63481e-05% change) + linmin: converged after 6 iterations. + iteration 157: trace = 2.429245899668266 (4.59578e-05% change) + large trace change predicted (0.000118419%) linmin: converged after 3 iterations. - iteration 169: trace = 2.429231583890314 (2.13647e-05% change) - large trace change predicted (4.62072e-05%) + iteration 158: trace = 2.429243023308148 (0.000118406% change) + linmin: converged after 6 iterations. + iteration 159: trace = 2.429241144501604 (7.73413e-05% change) linmin: converged after 4 iterations. - iteration 170: trace = 2.429230460568542 (4.62419e-05% change) + iteration 160: trace = 2.429240370066144 (3.18797e-05% change) + large trace change predicted (9.49275e-05%) linmin: converged after 3 iterations. - iteration 171: trace = 2.429230047862521 (1.69892e-05% change) - large trace change predicted (4.99371e-05%) - linmin: converged after 5 iterations. - iteration 172: trace = 2.429228834067868 (4.99662e-05% change) + iteration 161: trace = 2.429238064690867 (9.49011e-05% change) + linmin: converged after 3 iterations. + iteration 162: trace = 2.429236732049779 (5.48584e-05% change) + linmin: converged after 7 iterations. + iteration 163: trace = 2.429234987276795 (7.18239e-05% change) + linmin: converged after 3 iterations. + iteration 164: trace = 2.429234261461443 (2.98784e-05% change) + linmin: converged after 3 iterations. + iteration 165: trace = 2.429233897656237 (1.49761e-05% change) + large trace change predicted (3.35953e-05%) linmin: converged after 5 iterations. - iteration 173: trace = 2.429226577625988 (9.28872e-05% change) + iteration 166: trace = 2.429233081696252 (3.35892e-05% change) + linmin: converged after 3 iterations. + iteration 167: trace = 2.429232296296329 (3.23312e-05% change) + linmin: converged after 4 iterations. + iteration 168: trace = 2.429232114299378 (7.49195e-06% change) + large trace change predicted (2.19759e-05%) linmin: converged after 3 iterations. - iteration 174: trace = 2.429225448690378 (4.64731e-05% change) - large trace change predicted (0.00015282%) + iteration 169: trace = 2.429231580440188 (2.19765e-05% change) + large trace change predicted (4.47749e-05%) linmin: converged after 5 iterations. - iteration 175: trace = 2.429221725356604 (0.000153273% change) + iteration 170: trace = 2.429230492006953 (4.48057e-05% change) linmin: converged after 3 iterations. - iteration 176: trace = 2.429220661944724 (4.37758e-05% change) - large trace change predicted (0.000105601%) + iteration 171: trace = 2.4292300818534 (1.68841e-05% change) + large trace change predicted (5.14362e-05%) + linmin: converged after 4 iterations. + iteration 172: trace = 2.429228831644765 (5.14652e-05% change) + linmin: converged after 11 iterations. + iteration 173: trace = 2.429226866940972 (8.08777e-05% change) linmin: converged after 5 iterations. - iteration 177: trace = 2.429218091704528 (0.000105805% change) + iteration 174: trace = 2.429225464676463 (5.77247e-05% change) + large trace change predicted (0.000153302%) + linmin: converged after 6 iterations. + iteration 175: trace = 2.42922172951173 (0.00015376% change) linmin: converged after 4 iterations. - iteration 178: trace = 2.429216795668937 (5.3352e-05% change) + iteration 176: trace = 2.429220800087586 (3.82602e-05% change) + large trace change predicted (0.000111422%) linmin: converged after 3 iterations. - iteration 179: trace = 2.429216318331167 (1.96499e-05% change) - linmin: converged after 5 iterations. - iteration 180: trace = 2.429215476912975 (3.46374e-05% change) + iteration 177: trace = 2.429218087564371 (0.000111662% change) linmin: converged after 3 iterations. - iteration 181: trace = 2.429214875314416 (2.47651e-05% change) + iteration 178: trace = 2.429216817390023 (5.22874e-05% change) linmin: converged after 3 iterations. - iteration 182: trace = 2.429214663414664 (8.72297e-06% change) - large trace change predicted (1.81869e-05%) + iteration 179: trace = 2.429216353798426 (1.9084e-05% change) + linmin: converged after 4 iterations. + iteration 180: trace = 2.429215473880439 (3.62223e-05% change) linmin: converged after 4 iterations. - iteration 183: trace = 2.429214221565788 (1.8189e-05% change) + iteration 181: trace = 2.429214910960245 (2.31729e-05% change) + linmin: converged after 5 iterations. + iteration 182: trace = 2.429214662384692 (1.02328e-05% change) linmin: converged after 3 iterations. - iteration 184: trace = 2.429213984677035 (9.75166e-06% change) - large trace change predicted (2.09936e-05%) + iteration 183: trace = 2.429214224330099 (1.80328e-05% change) linmin: converged after 3 iterations. - iteration 185: trace = 2.429213474680934 (2.09943e-05% change) - large trace change predicted (4.56717e-05%) - linmin: converged after 4 iterations. - iteration 186: trace = 2.429212365153615 (4.56744e-05% change) + iteration 184: trace = 2.429214007739402 (8.91608e-06% change) + large trace change predicted (2.20233e-05%) linmin: converged after 3 iterations. - iteration 187: trace = 2.429212026400968 (1.3945e-05% change) - large trace change predicted (3.94202e-05%) + iteration 185: trace = 2.429213472721578 (2.20243e-05% change) + large trace change predicted (4.53979e-05%) linmin: converged after 4 iterations. - iteration 188: trace = 2.429211068770147 (3.94215e-05% change) - linmin: converged after 4 iterations. - iteration 189: trace = 2.429209642033 (5.87325e-05% change) + iteration 186: trace = 2.429212369840745 (4.54007e-05% change) + linmin: converged after 3 iterations. + iteration 187: trace = 2.42921208501611 (1.1725e-05% change) + large trace change predicted (4.16998e-05%) linmin: converged after 3 iterations. - iteration 190: trace = 2.429209301935933 (1.40003e-05% change) - large trace change predicted (9.25361e-05%) + iteration 188: trace = 2.429211072060212 (4.1699e-05% change) linmin: converged after 3 iterations. - iteration 191: trace = 2.429207054553685 (9.2515e-05% change) + iteration 189: trace = 2.429209712640085 (5.59614e-05% change) linmin: converged after 3 iterations. - iteration 192: trace = 2.42920549670188 (6.41301e-05% change) + iteration 190: trace = 2.429209326932685 (1.58779e-05% change) + large trace change predicted (9.37262e-05%) linmin: converged after 3 iterations. - iteration 193: trace = 2.429204819776946 (2.78661e-05% change) - large trace change predicted (8.18913e-05%) + iteration 191: trace = 2.429207050687991 (9.37032e-05% change) linmin: converged after 4 iterations. - iteration 194: trace = 2.429202831236179 (8.18598e-05% change) + iteration 192: trace = 2.429205534009494 (6.24351e-05% change) linmin: converged after 3 iterations. - iteration 195: trace = 2.429201138362308 (6.96885e-05% change) + iteration 193: trace = 2.429204895455779 (2.62865e-05% change) + large trace change predicted (8.53014e-05%) linmin: converged after 3 iterations. - iteration 196: trace = 2.429200323012721 (3.35645e-05% change) - large trace change predicted (8.31709e-05%) - linmin: converged after 4 iterations. - iteration 197: trace = 2.429198303567092 (8.31322e-05% change) - linmin: converged after 4 iterations. - iteration 198: trace = 2.429196805629418 (6.16639e-05% change) - linmin: converged after 4 iterations. - iteration 199: trace = 2.429196182943441 (2.56334e-05% change) + iteration 194: trace = 2.429202824219131 (8.5264e-05% change) linmin: converged after 3 iterations. - iteration 200: trace = 2.429195215532692 (3.98243e-05% change) + iteration 195: trace = 2.429201233411371 (6.54868e-05% change) linmin: converged after 3 iterations. - iteration 201: trace = 2.429194990200281 (9.27601e-06% change) + iteration 196: trace = 2.429200512850407 (2.96625e-05% change) + large trace change predicted (9.09243e-05%) linmin: converged after 4 iterations. - iteration 202: trace = 2.429194618319072 (1.53088e-05% change) + iteration 197: trace = 2.429198305145416 (9.0882e-05% change) linmin: converged after 4 iterations. - iteration 203: trace = 2.429193914553782 (2.89711e-05% change) + iteration 198: trace = 2.429197417899185 (3.65242e-05% change) linmin: converged after 3 iterations. - iteration 204: trace = 2.429193731764764 (7.52468e-06% change) - large trace change predicted (2.08477e-05%) + iteration 199: trace = 2.42919618345756 (5.08169e-05% change) linmin: converged after 3 iterations. - iteration 205: trace = 2.429193225342077 (2.08474e-05% change) - linmin: converged after 4 iterations. - iteration 206: trace = 2.429192572523023 (2.68739e-05% change) - linmin: converged after 4 iterations. - iteration 207: trace = 2.429192202283736 (1.52413e-05% change) + iteration 200: trace = 2.429195221675048 (3.95926e-05% change) linmin: converged after 3 iterations. - iteration 208: trace = 2.429191604892141 (2.45922e-05% change) - large trace change predicted (7.48501e-05%) - linmin: converged after 4 iterations. - iteration 209: trace = 2.429189786723055 (7.48467e-05% change) - resetting CG direction... - linmin: converged after 5 iterations. - iteration 210: trace = 2.429189035226658 (3.09361e-05% change) - linmin: converged after 2 iterations. - iteration 211: trace = 2.429188353489596 (2.80644e-05% change) + iteration 201: trace = 2.429195019550575 (8.32064e-06% change) + large trace change predicted (1.68948e-05%) linmin: converged after 4 iterations. - iteration 212: trace = 2.429188058780088 (1.2132e-05% change) - linmin: converged after 10 iterations. - iteration 213: trace = 2.429187704674257 (1.45771e-05% change) - linmin: converged after 2 iterations. - iteration 214: trace = 2.429187256393432 (1.84539e-05% change) + iteration 202: trace = 2.429194609030606 (1.68994e-05% change) linmin: converged after 3 iterations. - iteration 215: trace = 2.429187110358006 (6.0117e-06% change) + iteration 203: trace = 2.429193929658294 (2.7967e-05% change) linmin: converged after 3 iterations. - iteration 216: trace = 2.429186832885372 (1.14224e-05% change) - large trace change predicted (2.48735e-05%) - linmin: converged after 4 iterations. - iteration 217: trace = 2.429186228697037 (2.4872e-05% change) + iteration 204: trace = 2.42919379652664 (5.48049e-06% change) + large trace change predicted (2.3684e-05%) linmin: converged after 3 iterations. - iteration 218: trace = 2.429186061814468 (6.8699e-06% change) - large trace change predicted (2.04016e-05%) + iteration 205: trace = 2.429193221179806 (2.36847e-05% change) linmin: converged after 3 iterations. - iteration 219: trace = 2.429185566158758 (2.04042e-05% change) - linmin: converged after 2 iterations. - iteration 220: trace = 2.429185198851079 (1.51206e-05% change) - linmin: converged after 11 iterations. - iteration 221: trace = 2.429184968496556 (9.48279e-06% change) - large trace change predicted (2.80155e-05%) + iteration 206: trace = 2.429192625001243 (2.45422e-05% change) linmin: converged after 4 iterations. - iteration 222: trace = 2.429184287927164 (2.80164e-05% change) - linmin: converged after 4 iterations. - iteration 223: trace = 2.429184089879073 (8.15286e-06% change) - large trace change predicted (2.34384e-05%) + iteration 207: trace = 2.42919217987414 (1.83241e-05% change) linmin: converged after 3 iterations. - iteration 224: trace = 2.429183520565823 (2.34364e-05% change) + iteration 208: trace = 2.429191575181311 (2.48928e-05% change) linmin: converged after 3 iterations. - iteration 225: trace = 2.429182938238127 (2.39722e-05% change) - linmin: converged after 2 iterations. - iteration 226: trace = 2.429182756518748 (7.48068e-06% change) - large trace change predicted (2.1841e-05%) + iteration 209: trace = 2.429190400040577 (4.83758e-05% change) + resetting CG direction... linmin: converged after 3 iterations. - iteration 227: trace = 2.429182226031851 (2.18381e-05% change) + iteration 210: trace = 2.42918967762391 (2.9739e-05% change) + linmin: converged after 2 iterations. + iteration 211: trace = 2.429189209066 (1.92887e-05% change) linmin: converged after 3 iterations. - iteration 228: trace = 2.429181596068853 (2.59331e-05% change) + iteration 212: trace = 2.429188854134301 (1.46111e-05% change) + linmin: converged after 12 iterations. + iteration 213: trace = 2.429188511190581 (1.41176e-05% change) + linmin: converged after 2 iterations. + iteration 214: trace = 2.429188106349781 (1.66657e-05% change) linmin: converged after 3 iterations. - iteration 229: trace = 2.429181332945769 (1.08318e-05% change) - large trace change predicted (2.65155e-05%) - linmin: converged after 4 iterations. - iteration 230: trace = 2.429180688903546 (2.65127e-05% change) - linmin: converged after 4 iterations. - iteration 231: trace = 2.429179901322561 (3.24217e-05% change) + iteration 215: trace = 2.42918794226551 (6.7547e-06% change) + large trace change predicted (1.36217e-05%) linmin: converged after 3 iterations. - iteration 232: trace = 2.42917968824544 (8.77157e-06% change) - large trace change predicted (1.7545e-05%) + iteration 216: trace = 2.429187611319794 (1.36237e-05% change) + linmin: converged after 7 iterations. + iteration 217: trace = 2.429187105800711 (2.08102e-05% change) linmin: converged after 3 iterations. - iteration 233: trace = 2.429179262082394 (1.75435e-05% change) - linmin: converged after 2 iterations. - iteration 234: trace = 2.429179059783791 (8.32786e-06% change) + iteration 218: trace = 2.429186942216004 (6.73413e-06% change) + large trace change predicted (1.67558e-05%) linmin: converged after 3 iterations. - iteration 235: trace = 2.429178948125327 (4.59655e-06% change) + iteration 219: trace = 2.429186535124244 (1.67584e-05% change) + linmin: converged after 5 iterations. + iteration 220: trace = 2.429186044607442 (2.01926e-05% change) linmin: converged after 4 iterations. - iteration 236: trace = 2.429178815387207 (5.46432e-06% change) + iteration 221: trace = 2.429185802563304 (9.964e-06% change) + large trace change predicted (3.66878e-05%) + linmin: converged after 3 iterations. + iteration 222: trace = 2.429184911300137 (3.66898e-05% change) linmin: converged after 3 iterations. - iteration 237: trace = 2.429178685026278 (5.36646e-06% change) + iteration 223: trace = 2.429184690036648 (9.10855e-06% change) + large trace change predicted (2.9577e-05%) linmin: converged after 5 iterations. - iteration 238: trace = 2.4291786422822 (1.75961e-06% change) - large trace change predicted (6.3228e-06%) + iteration 224: trace = 2.429183971607003 (2.95749e-05% change) linmin: converged after 3 iterations. - iteration 239: trace = 2.429178488726127 (6.32132e-06% change) + iteration 225: trace = 2.429183494488604 (1.96411e-05% change) + linmin: converged after 2 iterations. + iteration 226: trace = 2.429183192702813 (1.24233e-05% change) linmin: converged after 3 iterations. - iteration 240: trace = 2.429178226328228 (1.08019e-05% change) + iteration 227: trace = 2.429182633106378 (2.30364e-05% change) linmin: converged after 3 iterations. - iteration 241: trace = 2.429178098467372 (5.26354e-06% change) - linmin: converged after 5 iterations. - iteration 242: trace = 2.429177845535906 (1.04122e-05% change) - linmin: converged after 4 iterations. - iteration 243: trace = 2.429177340626667 (2.07852e-05% change) - linmin: converged after 4 iterations. - iteration 244: trace = 2.429177176341105 (6.76301e-06% change) - large trace change predicted (2.77559e-05%) - linmin: converged after 5 iterations. - iteration 245: trace = 2.429176502846627 (2.77252e-05% change) + iteration 228: trace = 2.429181985767473 (2.66484e-05% change) + linmin: converged after 3 iterations. + iteration 229: trace = 2.429181721866209 (1.08638e-05% change) + large trace change predicted (2.39458e-05%) linmin: converged after 4 iterations. - iteration 246: trace = 2.429176238380631 (1.08871e-05% change) - linmin: converged after 6 iterations. - iteration 247: trace = 2.429175986076123 (1.03864e-05% change) - linmin: converged after 7 iterations. - iteration 248: trace = 2.429175577840264 (1.68055e-05% change) - linmin: converged after 13 iterations. - iteration 249: trace = 2.429175408961133 (6.95212e-06% change) - large trace change predicted (1.3957e-05%) + iteration 230: trace = 2.429181140208841 (2.39446e-05% change) + linmin: converged after 18 iterations. + iteration 231: trace = 2.429180381441772 (3.12355e-05% change) + linmin: converged after 3 iterations. + iteration 232: trace = 2.429180230588782 (6.21004e-06% change) linmin: converged after 7 iterations. - iteration 250: trace = 2.429175069993494 (1.3954e-05% change) - linmin: converged after 4 iterations. - iteration 251: trace = 2.429174761872467 (1.26842e-05% change) + iteration 233: trace = 2.429179990419116 (9.88686e-06% change) linmin: converged after 3 iterations. - iteration 252: trace = 2.42917466887513 (3.82835e-06% change) - large trace change predicted (1.30762e-05%) + iteration 234: trace = 2.429179657069023 (1.37227e-05% change) linmin: converged after 3 iterations. - iteration 253: trace = 2.429174351289464 (1.30738e-05% change) + iteration 235: trace = 2.42917961400073 (1.77296e-06% change) + large trace change predicted (8.41045e-06%) + linmin: converged after 3 iterations. + iteration 236: trace = 2.429179409702389 (8.41018e-06% change) linmin: converged after 4 iterations. - iteration 254: trace = 2.429174170497995 (7.44251e-06% change) - linmin: converged after 5 iterations. - iteration 255: trace = 2.429174050528544 (4.93869e-06% change) + iteration 237: trace = 2.429179269138154 (5.78649e-06% change) linmin: converged after 3 iterations. - iteration 256: trace = 2.429173939539032 (4.56902e-06% change) + iteration 238: trace = 2.429179192674984 (3.1477e-06% change) + linmin: converged after 3 iterations. + iteration 239: trace = 2.42917906464344 (5.27057e-06% change) + linmin: converged after 15 iterations. + iteration 240: trace = 2.429178824618423 (9.88091e-06% change) linmin: converged after 4 iterations. - iteration 257: trace = 2.429173810486296 (5.31262e-06% change) - linmin: converged after 2 iterations. - iteration 258: trace = 2.429173757768106 (2.17021e-06% change) - large trace change predicted (7.01507e-06%) + iteration 241: trace = 2.429178659425692 (6.80035e-06% change) + large trace change predicted (1.38799e-05%) linmin: converged after 3 iterations. - iteration 259: trace = 2.429173587357009 (7.01519e-06% change) - linmin: converged after 36 iterations. - iteration 260: trace = 2.429173545915708 (1.70598e-06% change) - large trace change predicted (1.32787e-05%) - linmin: converged after 5 iterations. - iteration 261: trace = 2.429173223315636 (1.32802e-05% change) + iteration 242: trace = 2.429178322399584 (1.38741e-05% change) + linmin: converged after 3 iterations. + iteration 243: trace = 2.429177684174039 (2.62733e-05% change) linmin: converged after 4 iterations. - iteration 262: trace = 2.429172942481005 (1.15609e-05% change) + iteration 244: trace = 2.429177551563656 (5.45906e-06% change) + large trace change predicted (2.56856e-05%) linmin: converged after 3 iterations. - iteration 263: trace = 2.429172792162812 (6.18804e-06% change) - large trace change predicted (2.2294e-05%) - linmin: converged after 5 iterations. - iteration 264: trace = 2.429172250254731 (2.23083e-05% change) + iteration 245: trace = 2.429176928006613 (2.56695e-05% change) linmin: converged after 3 iterations. - iteration 265: trace = 2.429171719172465 (2.18627e-05% change) + iteration 246: trace = 2.429176526314251 (1.65362e-05% change) + linmin: converged after 4 iterations. + iteration 247: trace = 2.429176340344535 (7.65567e-06% change) + linmin: converged after 11 iterations. + iteration 248: trace = 2.429175983640234 (1.46842e-05% change) linmin: converged after 3 iterations. - iteration 266: trace = 2.429171518377716 (8.26598e-06% change) - large trace change predicted (2.88089e-05%) + iteration 249: trace = 2.429175756598454 (9.34645e-06% change) linmin: converged after 3 iterations. - iteration 267: trace = 2.429170817972117 (2.88331e-05% change) + iteration 250: trace = 2.42917544884145 (1.26692e-05% change) linmin: converged after 3 iterations. - iteration 268: trace = 2.42917067117088 (6.04327e-06% change) - large trace change predicted (1.21646e-05%) + iteration 251: trace = 2.429175166951357 (1.16044e-05% change) linmin: converged after 3 iterations. - iteration 269: trace = 2.429170375548563 (1.21697e-05% change) - linmin: converged after 4 iterations. - iteration 270: trace = 2.429170141903263 (9.61832e-06% change) - linmin: converged after 5 iterations. - iteration 271: trace = 2.429170003374988 (5.7027e-06% change) - linmin: converged after 4 iterations. - iteration 272: trace = 2.429169922373948 (3.33452e-06% change) - large trace change predicted (9.25322e-06%) + iteration 252: trace = 2.429175061350694 (4.34718e-06% change) + large trace change predicted (1.00469e-05%) linmin: converged after 3 iterations. - iteration 273: trace = 2.429169697564546 (9.25458e-06% change) - linmin: converged after 2 iterations. - iteration 274: trace = 2.429169652963815 (1.83605e-06% change) - large trace change predicted (9.25293e-06%) + iteration 253: trace = 2.429174817310176 (1.00462e-05% change) linmin: converged after 4 iterations. - iteration 275: trace = 2.429169428190389 (9.2531e-06% change) + iteration 254: trace = 2.429174629494726 (7.73166e-06% change) linmin: converged after 3 iterations. - iteration 276: trace = 2.429169269843783 (6.51855e-06% change) + iteration 255: trace = 2.429174550883194 (3.23614e-06% change) linmin: converged after 3 iterations. - iteration 277: trace = 2.429169210874933 (2.42753e-06% change) - large trace change predicted (7.91894e-06%) + iteration 256: trace = 2.429174419100837 (5.42499e-06% change) linmin: converged after 3 iterations. - iteration 278: trace = 2.429169018513845 (7.9188e-06% change) + iteration 257: trace = 2.429174247836472 (7.05031e-06% change) + linmin: converged after 2 iterations. + iteration 258: trace = 2.429174203779922 (1.81364e-06% change) + large trace change predicted (8.06107e-06%) linmin: converged after 3 iterations. - iteration 279: trace = 2.429168919573291 (4.07302e-06% change) - resetting CG direction... - linmin: converged after 6 iterations. - iteration 280: trace = 2.429168871317946 (1.9865e-06% change) - large trace change predicted (6.03567e-06%) - linmin: converged after 4 iterations. - iteration 281: trace = 2.429168724707311 (6.03542e-06% change) - linmin: converged after 4 iterations. - iteration 282: trace = 2.429168675783422 (2.01402e-06% change) - large trace change predicted (4.60575e-06%) + iteration 259: trace = 2.4291740079609 (8.06114e-06% change) linmin: converged after 3 iterations. - iteration 283: trace = 2.42916856390598 (4.60559e-06% change) - linmin: converged after 7 iterations. - iteration 284: trace = 2.429168397455134 (6.85217e-06% change) + iteration 260: trace = 2.429173841005257 (6.87294e-06% change) linmin: converged after 3 iterations. - iteration 285: trace = 2.429168351774628 (1.8805e-06% change) - large trace change predicted (3.89849e-06%) - linmin: converged after 4 iterations. - iteration 286: trace = 2.429168257067436 (3.89875e-06% change) + iteration 261: trace = 2.429173634192324 (8.51372e-06% change) linmin: converged after 3 iterations. - iteration 287: trace = 2.42916808912151 (6.91372e-06% change) - linmin: converged after 29 iterations. - iteration 288: trace = 2.429168054476065 (1.42623e-06% change) - large trace change predicted (7.91204e-06%) - linmin: converged after 7 iterations. - iteration 289: trace = 2.429167862358921 (7.90876e-06% change) - linmin: converged after 10 iterations. - iteration 290: trace = 2.429167719322011 (5.88831e-06% change) + iteration 262: trace = 2.429173312760904 (1.32321e-05% change) linmin: converged after 4 iterations. - iteration 291: trace = 2.429167544468004 (7.1981e-06% change) + iteration 263: trace = 2.429172885822283 (1.75755e-05% change) linmin: converged after 3 iterations. - iteration 292: trace = 2.42916731615927 (9.39864e-06% change) - linmin: converged after 4 iterations. - iteration 293: trace = 2.42916720194087 (4.70196e-06% change) - linmin: converged after 4 iterations. - iteration 294: trace = 2.429167017783616 (7.58109e-06% change) + iteration 264: trace = 2.429172563377443 (1.32739e-05% change) + large trace change predicted (2.67044e-05%) + linmin: converged after 3 iterations. + iteration 265: trace = 2.429171914002862 (2.67323e-05% change) linmin: converged after 4 iterations. - iteration 295: trace = 2.429166747503431 (1.11265e-05% change) + iteration 266: trace = 2.429171679715864 (9.64473e-06% change) + large trace change predicted (2.57609e-05%) linmin: converged after 3 iterations. - iteration 296: trace = 2.42916668283277 (2.66226e-06% change) - large trace change predicted (6.80606e-06%) + iteration 267: trace = 2.4291710535103 (2.57786e-05% change) linmin: converged after 4 iterations. - iteration 297: trace = 2.429166517536004 (6.80467e-06% change) + iteration 268: trace = 2.429170696000531 (1.47174e-05% change) + linmin: converged after 4 iterations. + iteration 269: trace = 2.42917056551694 (5.37153e-06% change) + linmin: converged after 2 iterations. + iteration 270: trace = 2.429170385914938 (7.39355e-06% change) + linmin: converged after 11 iterations. + iteration 271: trace = 2.429170265886631 (4.94112e-06% change) + linmin: converged after 5 iterations. + iteration 272: trace = 2.429170219135548 (1.92457e-06% change) + large trace change predicted (8.73299e-06%) linmin: converged after 3 iterations. - iteration 298: trace = 2.429166300607401 (8.93017e-06% change) + iteration 273: trace = 2.429170006991582 (8.73319e-06% change) linmin: converged after 3 iterations. - iteration 299: trace = 2.429166261200211 (1.62225e-06% change) - large trace change predicted (4.19602e-06%) + iteration 274: trace = 2.429169946234674 (2.50114e-06% change) + large trace change predicted (6.78981e-06%) + linmin: converged after 2 iterations. + iteration 275: trace = 2.429169781298613 (6.78981e-06% change) + linmin: converged after 6 iterations. + iteration 276: trace = 2.429169584333074 (8.10835e-06% change) + linmin: converged after 2 iterations. + iteration 277: trace = 2.429169504620637 (3.28147e-06% change) + large trace change predicted (6.85171e-06%) + linmin: converged after 2 iterations. + iteration 278: trace = 2.429169338179831 (6.85176e-06% change) linmin: converged after 3 iterations. - iteration 300: trace = 2.429166159264932 (4.19631e-06% change) + iteration 279: trace = 2.42916905589558 (1.16206e-05% change) + resetting CG direction... linmin: converged after 5 iterations. - iteration 301: trace = 2.42916607812563 (3.34021e-06% change) + iteration 280: trace = 2.429168969830855 (3.54297e-06% change) linmin: converged after 3 iterations. - iteration 302: trace = 2.42916604924301 (1.18899e-06% change) - large trace change predicted (4.50338e-06%) - linmin: converged after 5 iterations. - iteration 303: trace = 2.42916593984982 (4.50332e-06% change) + iteration 281: trace = 2.429168798845678 (7.03883e-06% change) linmin: converged after 3 iterations. - iteration 304: trace = 2.429165910075201 (1.22571e-06% change) - large trace change predicted (2.50423e-06%) - linmin: converged after 8 iterations. - iteration 305: trace = 2.42916584924665 (2.50409e-06% change) - linmin: converged after 4 iterations. - iteration 306: trace = 2.42916580294676 (1.906e-06% change) - linmin: converged after 8 iterations. - iteration 307: trace = 2.42916572913721 (3.03847e-06% change) + iteration 282: trace = 2.429168662701551 (5.60456e-06% change) + linmin: converged after 14 iterations. + iteration 283: trace = 2.429168613737275 (2.01568e-06% change) + large trace change predicted (6.72528e-06%) + linmin: converged after 3 iterations. + iteration 284: trace = 2.429168450369993 (6.72523e-06% change) linmin: converged after 5 iterations. - iteration 308: trace = 2.429165710655394 (7.6083e-07% change) - large trace change predicted (3.34149e-06%) + iteration 285: trace = 2.429168340388364 (4.52754e-06% change) + linmin: converged after 7 iterations. + iteration 286: trace = 2.429168299084479 (1.70033e-06% change) + large trace change predicted (6.38958e-06%) linmin: converged after 4 iterations. - iteration 309: trace = 2.429165629472555 (3.34201e-06% change) + iteration 287: trace = 2.429168143897437 (6.38848e-06% change) + linmin: converged after 5 iterations. + iteration 288: trace = 2.429168109841597 (1.40195e-06% change) + large trace change predicted (6.50271e-06%) + linmin: converged after 3 iterations. + iteration 289: trace = 2.429167951913171 (6.50134e-06% change) + linmin: converged after 9 iterations. + iteration 290: trace = 2.429167831660306 (4.95037e-06% change) + linmin: converged after 17 iterations. + iteration 291: trace = 2.429167709301503 (5.03707e-06% change) linmin: converged after 4 iterations. - iteration 310: trace = 2.429165484534654 (5.96657e-06% change) + iteration 292: trace = 2.429167517160722 (7.90974e-06% change) linmin: converged after 3 iterations. - iteration 311: trace = 2.429165448799646 (1.47108e-06% change) - large trace change predicted (7.07575e-06%) + iteration 293: trace = 2.429167259364719 (1.06125e-05% change) + linmin: converged after 2 iterations. + iteration 294: trace = 2.429167187914523 (2.94135e-06% change) + large trace change predicted (1.00288e-05%) linmin: converged after 3 iterations. - iteration 312: trace = 2.429165276853678 (7.0784e-06% change) - linmin: converged after 25 iterations. - iteration 313: trace = 2.429165180315826 (3.97412e-06% change) + iteration 295: trace = 2.429166944417039 (1.00239e-05% change) + linmin: converged after 18 iterations. + iteration 296: trace = 2.429166787126503 (6.47508e-06% change) + linmin: converged after 3 iterations. + iteration 297: trace = 2.429166703851328 (3.42814e-06% change) + large trace change predicted (7.48371e-06%) linmin: converged after 4 iterations. - iteration 314: trace = 2.429165104352876 (3.12712e-06% change) + iteration 298: trace = 2.429166522163584 (7.47943e-06% change) + linmin: converged after 12 iterations. + iteration 299: trace = 2.429166387471731 (5.54478e-06% change) + linmin: converged after 3 iterations. + iteration 300: trace = 2.429166328131001 (2.44284e-06% change) + large trace change predicted (7.8702e-06%) + linmin: converged after 3 iterations. + iteration 301: trace = 2.42916613698365 (7.86885e-06% change) + linmin: converged after 3 iterations. + iteration 302: trace = 2.429166086539658 (2.0766e-06% change) + large trace change predicted (5.08683e-06%) linmin: converged after 7 iterations. - iteration 315: trace = 2.429164991533192 (4.64438e-06% change) - linmin: converged after 6 iterations. - iteration 316: trace = 2.42916486536403 (5.19393e-06% change) + iteration 303: trace = 2.429165962972404 (5.08682e-06% change) + linmin: converged after 3 iterations. + iteration 304: trace = 2.429165902718186 (2.48045e-06% change) linmin: converged after 4 iterations. - iteration 317: trace = 2.429164796374211 (2.84006e-06% change) - large trace change predicted (6.44745e-06%) + iteration 305: trace = 2.429165814274343 (3.64091e-06% change) + linmin: converged after 5 iterations. + iteration 306: trace = 2.429165800969024 (5.47732e-07% change) + large trace change predicted (2.59836e-06%) linmin: converged after 4 iterations. - iteration 318: trace = 2.429164639704397 (6.44953e-06% change) + iteration 307: trace = 2.42916573784992 (2.59839e-06% change) linmin: converged after 4 iterations. - iteration 319: trace = 2.429164606546153 (1.36501e-06% change) - large trace change predicted (3.25242e-06%) + iteration 308: trace = 2.429165695401512 (1.74745e-06% change) linmin: converged after 4 iterations. - iteration 320: trace = 2.429164527531566 (3.25275e-06% change) + iteration 309: trace = 2.429165677273254 (7.46275e-07% change) + large trace change predicted (4.93975e-06%) linmin: converged after 5 iterations. - iteration 321: trace = 2.429164438660931 (3.65849e-06% change) - linmin: converged after 3 iterations. - iteration 322: trace = 2.429164419398778 (7.92954e-07% change) - large trace change predicted (2.3526e-06%) + iteration 310: trace = 2.429165557266495 (4.94025e-06% change) linmin: converged after 4 iterations. - iteration 323: trace = 2.429164362247049 (2.35273e-06% change) - linmin: converged after 2 iterations. - iteration 324: trace = 2.429164306062881 (2.3129e-06% change) + iteration 311: trace = 2.429165502315926 (2.26212e-06% change) + linmin: converged after 9 iterations. + iteration 312: trace = 2.429165430426957 (2.95941e-06% change) linmin: converged after 3 iterations. - iteration 325: trace = 2.429164293306547 (5.25133e-07% change) - large trace change predicted (2.2169e-06%) + iteration 313: trace = 2.429165289218584 (5.81304e-06% change) linmin: converged after 2 iterations. - iteration 326: trace = 2.4291642394545 (2.2169e-06% change) - linmin: converged after 7 iterations. - iteration 327: trace = 2.429164221111337 (7.55122e-07% change) - linmin: converged after 3 iterations. - iteration 328: trace = 2.429164193894918 (1.1204e-06% change) + iteration 314: trace = 2.429165228256843 (2.50958e-06% change) + large trace change predicted (5.51343e-06%) linmin: converged after 4 iterations. - iteration 329: trace = 2.429164149591694 (1.82381e-06% change) + iteration 315: trace = 2.429165094293651 (5.51478e-06% change) linmin: converged after 3 iterations. - iteration 330: trace = 2.429164063698702 (3.53591e-06% change) - linmin: converged after 3 iterations. - iteration 331: trace = 2.429164024759665 (1.60298e-06% change) - large trace change predicted (5.53348e-06%) - linmin: converged after 2 iterations. - iteration 332: trace = 2.429163890342143 (5.53349e-06% change) + iteration 316: trace = 2.429164916762657 (7.30831e-06% change) linmin: converged after 3 iterations. - iteration 333: trace = 2.429163765920217 (5.12201e-06% change) + iteration 317: trace = 2.429164870848741 (1.89011e-06% change) + large trace change predicted (5.15805e-06%) linmin: converged after 4 iterations. - iteration 334: trace = 2.429163655993809 (4.52528e-06% change) + iteration 318: trace = 2.4291647455211 (5.15929e-06% change) + linmin: converged after 4 iterations. + iteration 319: trace = 2.429164640229749 (4.33447e-06% change) + linmin: converged after 7 iterations. + iteration 320: trace = 2.429164606068225 (1.40631e-06% change) + large trace change predicted (4.3761e-06%) + linmin: converged after 4 iterations. + iteration 321: trace = 2.429164499749378 (4.37677e-06% change) linmin: converged after 3 iterations. - iteration 335: trace = 2.429163482734742 (7.13246e-06% change) - linmin: converged after 2 iterations. - iteration 336: trace = 2.429163405761019 (3.16873e-06% change) - linmin: converged after 15 iterations. - iteration 337: trace = 2.429163327456446 (3.22352e-06% change) + iteration 322: trace = 2.429164424489897 (3.09816e-06% change) + linmin: converged after 5 iterations. + iteration 323: trace = 2.429164396313308 (1.15993e-06% change) + large trace change predicted (3.72788e-06%) linmin: converged after 6 iterations. - iteration 338: trace = 2.429163226055506 (4.17432e-06% change) + iteration 324: trace = 2.429164305750874 (3.72813e-06% change) linmin: converged after 3 iterations. - iteration 339: trace = 2.429163204380151 (8.92297e-07% change) - large trace change predicted (3.49725e-06%) + iteration 325: trace = 2.42916428687504 (7.77051e-07% change) linmin: converged after 5 iterations. - iteration 340: trace = 2.429163119431029 (3.49705e-06% change) - linmin: converged after 20 iterations. - iteration 341: trace = 2.429163077721464 (1.71703e-06% change) - linmin: converged after 22 iterations. - iteration 342: trace = 2.429163045872508 (1.31111e-06% change) + iteration 326: trace = 2.42916425024477 (1.50794e-06% change) linmin: converged after 5 iterations. - iteration 343: trace = 2.429162992538449 (2.19557e-06% change) + iteration 327: trace = 2.429164217051726 (1.36644e-06% change) linmin: converged after 6 iterations. - iteration 344: trace = 2.429162965495263 (1.11327e-06% change) - linmin: converged after 5 iterations. - iteration 345: trace = 2.429162913274279 (2.14975e-06% change) + iteration 328: trace = 2.429164198427874 (7.66677e-07% change) + large trace change predicted (1.62275e-06%) + linmin: converged after 8 iterations. + iteration 329: trace = 2.429164159010943 (1.62265e-06% change) linmin: converged after 2 iterations. - iteration 346: trace = 2.429162863235207 (2.05993e-06% change) + iteration 330: trace = 2.429164117048233 (1.72745e-06% change) linmin: converged after 3 iterations. - iteration 347: trace = 2.4291628456336 (7.24596e-07% change) - large trace change predicted (1.77847e-06%) - linmin: converged after 2 iterations. - iteration 348: trace = 2.429162802430328 (1.77853e-06% change) + iteration 331: trace = 2.429164089190901 (1.14679e-06% change) + large trace change predicted (3.43515e-06%) linmin: converged after 3 iterations. - iteration 349: trace = 2.429162739935152 (2.5727e-06% change) - resetting CG direction... - linmin: converged after 7 iterations. - iteration 350: trace = 2.42916270053176 (1.6221e-06% change) - linmin: converged after 9 iterations. - iteration 351: trace = 2.429162686618872 (5.72744e-07% change) - large trace change predicted (1.60545e-06%) - linmin: converged after 11 iterations. - iteration 352: trace = 2.429162647620967 (1.60541e-06% change) - linmin: converged after 2 iterations. - iteration 353: trace = 2.429162612939828 (1.4277e-06% change) - linmin: converged after 17 iterations. - iteration 354: trace = 2.429162598742549 (5.84452e-07% change) - large trace change predicted (2.42484e-06%) + iteration 332: trace = 2.429164005748048 (3.43504e-06% change) + linmin: converged after 5 iterations. + iteration 333: trace = 2.429163852365746 (6.3142e-06% change) + linmin: converged after 4 iterations. + iteration 334: trace = 2.429163787648458 (2.66418e-06% change) + linmin: converged after 4 iterations. + iteration 335: trace = 2.429163673307378 (4.70701e-06% change) + large trace change predicted (9.85604e-06%) + linmin: converged after 4 iterations. + iteration 336: trace = 2.429163433937292 (9.85401e-06% change) + linmin: converged after 5 iterations. + iteration 337: trace = 2.429163394640362 (1.61771e-06% change) + large trace change predicted (5.96498e-06%) linmin: converged after 3 iterations. - iteration 355: trace = 2.4291625398385 (2.42487e-06% change) - linmin: converged after 10 iterations. - iteration 356: trace = 2.4291625158628 (9.86994e-07% change) - large trace change predicted (1.99257e-06%) + iteration 338: trace = 2.429163249749685 (5.96463e-06% change) linmin: converged after 3 iterations. - iteration 357: trace = 2.429162467451931 (1.9929e-06% change) + iteration 339: trace = 2.42916319148744 (2.39845e-06% change) linmin: converged after 3 iterations. - iteration 358: trace = 2.429162425156038 (1.74117e-06% change) - linmin: converged after 8 iterations. - iteration 359: trace = 2.42916241150935 (5.61786e-07% change) - large trace change predicted (2.05754e-06%) - linmin: converged after 2 iterations. - iteration 360: trace = 2.429162361526912 (2.0576e-06% change) + iteration 340: trace = 2.429163147412315 (1.81442e-06% change) + linmin: converged after 5 iterations. + iteration 341: trace = 2.429163091983502 (2.28181e-06% change) + linmin: converged after 14 iterations. + iteration 342: trace = 2.429163039316325 (2.16812e-06% change) linmin: converged after 3 iterations. - iteration 361: trace = 2.429162305005736 (2.32678e-06% change) - linmin: converged after 21 iterations. - iteration 362: trace = 2.429162289033123 (6.57536e-07% change) - large trace change predicted (2.59992e-06%) + iteration 343: trace = 2.429163005671156 (1.38505e-06% change) + linmin: converged after 4 iterations. + iteration 344: trace = 2.429162952598185 (2.18483e-06% change) + linmin: converged after 7 iterations. + iteration 345: trace = 2.429162936669529 (6.55726e-07% change) + large trace change predicted (1.94949e-06%) + linmin: converged after 3 iterations. + iteration 346: trace = 2.429162889315056 (1.94942e-06% change) + linmin: converged after 3 iterations. + iteration 347: trace = 2.429162830107803 (2.43735e-06% change) + linmin: converged after 12 iterations. + iteration 348: trace = 2.429162810801616 (7.94767e-07% change) + linmin: converged after 6 iterations. + iteration 349: trace = 2.429162777621779 (1.3659e-06% change) + resetting CG direction... + linmin: converged after 2 iterations. + iteration 350: trace = 2.429162751540312 (1.07368e-06% change) linmin: converged after 2 iterations. - iteration 363: trace = 2.429162225874592 (2.60001e-06% change) + iteration 351: trace = 2.429162738017644 (5.5668e-07% change) + large trace change predicted (1.7185e-06%) linmin: converged after 8 iterations. - iteration 364: trace = 2.42916215213349 (3.03566e-06% change) + iteration 352: trace = 2.429162696273647 (1.71845e-06% change) + linmin: converged after 3 iterations. + iteration 353: trace = 2.429162669205983 (1.11428e-06% change) + linmin: converged after 2 iterations. + iteration 354: trace = 2.429162654315734 (6.12979e-07% change) + large trace change predicted (1.6623e-06%) + linmin: converged after 4 iterations. + iteration 355: trace = 2.429162613935551 (1.66231e-06% change) + linmin: converged after 9 iterations. + iteration 356: trace = 2.429162593651156 (8.35037e-07% change) + large trace change predicted (2.27757e-06%) + linmin: converged after 2 iterations. + iteration 357: trace = 2.429162538322695 (2.27768e-06% change) linmin: converged after 6 iterations. - iteration 365: trace = 2.429162114735383 (1.53955e-06% change) - large trace change predicted (4.12664e-06%) - linmin: converged after 5 iterations. - iteration 366: trace = 2.429162014485762 (4.12692e-06% change) + iteration 358: trace = 2.429162482448354 (2.30015e-06% change) + linmin: converged after 2 iterations. + iteration 359: trace = 2.429162454761841 (1.13976e-06% change) linmin: converged after 3 iterations. - iteration 367: trace = 2.429161937969076 (3.14992e-06% change) + iteration 360: trace = 2.42916240200351 (2.17187e-06% change) linmin: converged after 3 iterations. - iteration 368: trace = 2.429161921258092 (6.87932e-07% change) - large trace change predicted (2.36695e-06%) + iteration 361: trace = 2.4291623190255 (3.41591e-06% change) linmin: converged after 3 iterations. - iteration 369: trace = 2.429161863759391 (2.36702e-06% change) - linmin: converged after 11 iterations. - iteration 370: trace = 2.429161849976834 (5.67379e-07% change) + iteration 362: trace = 2.4291622983606 (8.50701e-07% change) + large trace change predicted (3.63431e-06%) + linmin: converged after 4 iterations. + iteration 363: trace = 2.429162210073242 (3.63448e-06% change) + linmin: converged after 7 iterations. + iteration 364: trace = 2.429162177777916 (1.32948e-06% change) + linmin: converged after 2 iterations. + iteration 365: trace = 2.429162133451067 (1.82478e-06% change) + linmin: converged after 4 iterations. + iteration 366: trace = 2.429162059728943 (3.03488e-06% change) linmin: converged after 3 iterations. - iteration 371: trace = 2.429161834118966 (6.52812e-07% change) - linmin: converged after 21 iterations. - iteration 372: trace = 2.429161820346843 (5.6695e-07% change) - linmin: converged after 8 iterations. - iteration 373: trace = 2.429161810521062 (4.04493e-07% change) - linmin: converged after 9 iterations. - iteration 374: trace = 2.42916179531213 (6.26098e-07% change) - linmin: converged after 20 iterations. - iteration 375: trace = 2.429161771423542 (9.83409e-07% change) + iteration 367: trace = 2.429162019209969 (1.66802e-06% change) + linmin: converged after 2 iterations. + iteration 368: trace = 2.429161990260068 (1.19176e-06% change) + linmin: converged after 4 iterations. + iteration 369: trace = 2.429161937840642 (2.15792e-06% change) linmin: converged after 13 iterations. - iteration 376: trace = 2.429161763830456 (3.1258e-07% change) - large trace change predicted (9.95475e-07%) - linmin: converged after 3 iterations. - iteration 377: trace = 2.429161739650788 (9.95391e-07% change) + iteration 370: trace = 2.429161904835292 (1.35871e-06% change) linmin: converged after 4 iterations. - iteration 378: trace = 2.429161704218765 (1.45861e-06% change) - linmin: converged after 14 iterations. - iteration 379: trace = 2.429161693347212 (4.47543e-07% change) - large trace change predicted (1.20818e-06%) - linmin: converged after 3 iterations. - iteration 380: trace = 2.429161664000104 (1.20812e-06% change) - linmin: converged after 3 iterations. - iteration 381: trace = 2.429161611934315 (2.14336e-06% change) - linmin: converged after 10 iterations. - iteration 382: trace = 2.429161601574118 (4.26493e-07% change) - large trace change predicted (2.10697e-06%) - linmin: converged after 8 iterations. - iteration 383: trace = 2.429161550399598 (2.10667e-06% change) - linmin: converged after 17 iterations. - iteration 384: trace = 2.429161522993279 (1.12822e-06% change) + iteration 371: trace = 2.42916188379053 (8.66338e-07% change) + linmin: converged after 13 iterations. + iteration 372: trace = 2.429161866583443 (7.08355e-07% change) + linmin: converged after 5 iterations. + iteration 373: trace = 2.429161857791041 (3.61952e-07% change) + linmin: converged after 24 iterations. + iteration 374: trace = 2.429161845234401 (5.16912e-07% change) + linmin: converged after 6 iterations. + iteration 375: trace = 2.429161825238173 (8.23174e-07% change) + linmin: converged after 5 iterations. + iteration 376: trace = 2.429161819926278 (2.18672e-07% change) + large trace change predicted (9.41732e-07%) + linmin: converged after 4 iterations. + iteration 377: trace = 2.429161797050861 (9.417e-07% change) + linmin: converged after 7 iterations. + iteration 378: trace = 2.429161765978781 (1.27913e-06% change) + linmin: converged after 21 iterations. + iteration 379: trace = 2.429161750328446 (6.44269e-07% change) + large trace change predicted (1.5691e-06%) + linmin: converged after 5 iterations. + iteration 380: trace = 2.429161712214918 (1.569e-06% change) + linmin: converged after 5 iterations. + iteration 381: trace = 2.429161650971002 (2.5212e-06% change) + linmin: converged after 6 iterations. + iteration 382: trace = 2.429161617442981 (1.38023e-06% change) linmin: converged after 10 iterations. - iteration 385: trace = 2.429161500564571 (9.23311e-07% change) + iteration 383: trace = 2.429161569788674 (1.96176e-06% change) linmin: converged after 7 iterations. - iteration 386: trace = 2.429161456703279 (1.80561e-06% change) + iteration 384: trace = 2.429161525378757 (1.8282e-06% change) linmin: converged after 6 iterations. - iteration 387: trace = 2.429161415467751 (1.69752e-06% change) - linmin: converged after 16 iterations. - iteration 388: trace = 2.429161393304343 (9.12389e-07% change) - large trace change predicted (1.89859e-06%) + iteration 385: trace = 2.429161508809771 (6.82087e-07% change) + large trace change predicted (1.52343e-06%) linmin: converged after 4 iterations. - iteration 389: trace = 2.429161347186578 (1.89851e-06% change) + iteration 386: trace = 2.42916147180497 (1.52336e-06% change) linmin: converged after 7 iterations. - iteration 390: trace = 2.429161324950827 (9.15367e-07% change) - linmin: converged after 4 iterations. - iteration 391: trace = 2.429161317015616 (3.26665e-07% change) - large trace change predicted (8.59745e-07%) - linmin: converged after 4 iterations. - iteration 392: trace = 2.429161296131448 (8.59728e-07% change) - linmin: converged after 2 iterations. - iteration 393: trace = 2.429161291181173 (2.03785e-07% change) - large trace change predicted (5.29641e-07%) + iteration 387: trace = 2.429161445776849 (1.07149e-06% change) + linmin: converged after 6 iterations. + iteration 388: trace = 2.429161434856514 (4.49552e-07% change) + large trace change predicted (1.62982e-06%) linmin: converged after 5 iterations. - iteration 394: trace = 2.429161278315192 (5.29647e-07% change) - linmin: converged after 4 iterations. - iteration 395: trace = 2.429161265356961 (5.33445e-07% change) + iteration 389: trace = 2.429161395267602 (1.62974e-06% change) + linmin: converged after 8 iterations. + iteration 390: trace = 2.429161384785085 (4.31528e-07% change) linmin: converged after 4 iterations. - iteration 396: trace = 2.429161261869211 (1.43578e-07% change) - large trace change predicted (8.36476e-07%) - linmin: converged after 2 iterations. - iteration 397: trace = 2.429161241549844 (8.36477e-07% change) - linmin: converged after 15 iterations. - iteration 398: trace = 2.429161218388045 (9.5349e-07% change) + iteration 391: trace = 2.429161365440177 (7.96362e-07% change) + linmin: converged after 9 iterations. + iteration 392: trace = 2.429161341744388 (9.75472e-07% change) linmin: converged after 4 iterations. - iteration 399: trace = 2.429161210937119 (3.06728e-07% change) - large trace change predicted (8.14179e-07%) + iteration 393: trace = 2.429161336569762 (2.13021e-07% change) + large trace change predicted (1.03762e-06%) + linmin: converged after 6 iterations. + iteration 394: trace = 2.429161311364408 (1.03762e-06% change) + linmin: converged after 13 iterations. + iteration 395: trace = 2.429161301193105 (4.18717e-07% change) linmin: converged after 3 iterations. - iteration 400: trace = 2.429161191159865 (8.1416e-07% change) - linmin: converged after 10 iterations. - iteration 401: trace = 2.42916115839568 (1.34879e-06% change) - linmin: converged after 10 iterations. - iteration 402: trace = 2.429161140878337 (7.21127e-07% change) - large trace change predicted (1.49051e-06%) - linmin: converged after 20 iterations. - iteration 403: trace = 2.429161104667986 (1.49065e-06% change) - linmin: converged after 11 iterations. - iteration 404: trace = 2.429161083170334 (8.84983e-07% change) + iteration 396: trace = 2.429161294383469 (2.80329e-07% change) + large trace change predicted (6.3129e-07%) linmin: converged after 3 iterations. - iteration 405: trace = 2.429161048270787 (1.43669e-06% change) - linmin: converged after 9 iterations. - iteration 406: trace = 2.42916099920414 (2.0199e-06% change) - linmin: converged after 4 iterations. - iteration 407: trace = 2.429160982945467 (6.69312e-07% change) - linmin: converged after 4 iterations. - iteration 408: trace = 2.429160959714191 (9.5635e-07% change) + iteration 397: trace = 2.429161279048469 (6.31288e-07% change) + linmin: converged after 17 iterations. + iteration 398: trace = 2.429161258261505 (8.55726e-07% change) linmin: converged after 3 iterations. - iteration 409: trace = 2.429160920962948 (1.59525e-06% change) + iteration 399: trace = 2.429161250534557 (3.18091e-07% change) + large trace change predicted (1.20231e-06%) linmin: converged after 3 iterations. - iteration 410: trace = 2.429160911946585 (3.71172e-07% change) - large trace change predicted (9.33439e-07%) - linmin: converged after 15 iterations. - iteration 411: trace = 2.429160889269008 (9.33556e-07% change) + iteration 400: trace = 2.429161221327282 (1.20236e-06% change) + linmin: converged after 9 iterations. + iteration 401: trace = 2.429161200373513 (8.62593e-07% change) linmin: converged after 4 iterations. - iteration 412: trace = 2.429160866943898 (9.19046e-07% change) + iteration 402: trace = 2.429161174728716 (1.05571e-06% change) + large trace change predicted (2.16781e-06%) linmin: converged after 6 iterations. - iteration 413: trace = 2.4291608614916 (2.24452e-07% change) - large trace change predicted (5.07435e-07%) - linmin: converged after 20 iterations. - iteration 414: trace = 2.429160849164178 (5.07477e-07% change) + iteration 403: trace = 2.429161122062797 (2.16807e-06% change) + linmin: converged after 3 iterations. + iteration 404: trace = 2.4291610853886 (1.50975e-06% change) + linmin: converged after 5 iterations. + iteration 405: trace = 2.429161054558429 (1.26917e-06% change) + linmin: converged after 3 iterations. + iteration 406: trace = 2.429161003673342 (2.09476e-06% change) + linmin: converged after 11 iterations. + iteration 407: trace = 2.429160989915066 (5.6638e-07% change) + large trace change predicted (1.27311e-06%) linmin: converged after 7 iterations. - iteration 415: trace = 2.42916083216274 (6.99889e-07% change) + iteration 408: trace = 2.429160958986813 (1.27321e-06% change) + linmin: converged after 5 iterations. + iteration 409: trace = 2.429160943141175 (6.52309e-07% change) + linmin: converged after 14 iterations. + iteration 410: trace = 2.429160932078923 (4.55394e-07% change) linmin: converged after 3 iterations. - iteration 416: trace = 2.429160826769361 (2.22026e-07% change) - large trace change predicted (4.99169e-07%) - linmin: converged after 23 iterations. - iteration 417: trace = 2.429160814643395 (4.99183e-07% change) - linmin: converged after 4 iterations. - iteration 418: trace = 2.429160802418464 (5.03257e-07% change) + iteration 411: trace = 2.42916091787645 (5.84666e-07% change) + linmin: converged after 3 iterations. + iteration 412: trace = 2.429160894447437 (9.6449e-07% change) + linmin: converged after 3 iterations. + iteration 413: trace = 2.429160889918613 (1.86436e-07% change) + large trace change predicted (6.42122e-07%) + linmin: converged after 6 iterations. + iteration 414: trace = 2.429160874318752 (6.42191e-07% change) + linmin: converged after 2 iterations. + iteration 415: trace = 2.429160855352052 (7.80792e-07% change) linmin: converged after 5 iterations. - iteration 419: trace = 2.429160796221078 (2.55125e-07% change) + iteration 416: trace = 2.42916085026796 (2.09294e-07% change) + large trace change predicted (5.5661e-07%) + linmin: converged after 13 iterations. + iteration 417: trace = 2.429160836746814 (5.56618e-07% change) + linmin: converged after 23 iterations. + iteration 418: trace = 2.429160825598978 (4.58917e-07% change) + linmin: converged after 7 iterations. + iteration 419: trace = 2.429160816669895 (3.67579e-07% change) resetting CG direction... - linmin: converged after 17 iterations. - iteration 420: trace = 2.429160790346842 (2.41822e-07% change) - linmin: converged after 2 iterations. - iteration 421: trace = 2.429160779915612 (4.29417e-07% change) linmin: converged after 3 iterations. - iteration 422: trace = 2.429160768544104 (4.68125e-07% change) + iteration 420: trace = 2.429160808307011 (3.4427e-07% change) + linmin: converged after 23 iterations. + iteration 421: trace = 2.429160798977978 (3.84043e-07% change) linmin: converged after 3 iterations. - iteration 423: trace = 2.42916076367561 (2.00419e-07% change) - large trace change predicted (5.93356e-07%) + iteration 422: trace = 2.429160787476473 (4.73476e-07% change) + linmin: converged after 5 iterations. + iteration 423: trace = 2.429160783106331 (1.79903e-07% change) + large trace change predicted (6.4835e-07%) + linmin: converged after 5 iterations. + iteration 424: trace = 2.429160767357323 (6.48331e-07% change) + linmin: converged after 5 iterations. + iteration 425: trace = 2.429160754452602 (5.31242e-07% change) + linmin: converged after 18 iterations. + iteration 426: trace = 2.429160750443709 (1.65032e-07% change) + large trace change predicted (8.36904e-07%) linmin: converged after 23 iterations. - iteration 424: trace = 2.429160749262659 (5.9333e-07% change) + iteration 427: trace = 2.429160730116483 (8.368e-07% change) linmin: converged after 3 iterations. - iteration 425: trace = 2.429160738203669 (4.5526e-07% change) - linmin: converged after 16 iterations. - iteration 426: trace = 2.429160734104865 (1.68733e-07% change) - large trace change predicted (7.28314e-07%) - linmin: converged after 4 iterations. - iteration 427: trace = 2.429160716414508 (7.2825e-07% change) + iteration 428: trace = 2.429160720005708 (4.16225e-07% change) linmin: converged after 3 iterations. - iteration 428: trace = 2.429160706502238 (4.08053e-07% change) - linmin: converged after 14 iterations. - iteration 429: trace = 2.429160692077318 (5.93823e-07% change) + iteration 429: trace = 2.429160708563296 (4.71044e-07% change) + linmin: converged after 12 iterations. + iteration 430: trace = 2.429160696772058 (4.85404e-07% change) linmin: converged after 4 iterations. - iteration 430: trace = 2.429160667097955 (1.02831e-06% change) - linmin: converged after 3 iterations. - iteration 431: trace = 2.429160655367485 (4.82902e-07% change) - linmin: converged after 6 iterations. - iteration 432: trace = 2.429160640748588 (6.01809e-07% change) - large trace change predicted (1.2155e-06%) - linmin: converged after 8 iterations. - iteration 433: trace = 2.429160611227006 (1.2153e-06% change) - linmin: converged after 11 iterations. - iteration 434: trace = 2.429160602749563 (3.48987e-07% change) - large trace change predicted (1.02435e-06%) - linmin: converged after 3 iterations. - iteration 435: trace = 2.429160577870109 (1.0242e-06% change) - linmin: converged after 9 iterations. - iteration 436: trace = 2.429160558905898 (7.8069e-07% change) - linmin: converged after 9 iterations. - iteration 437: trace = 2.429160552631934 (2.58277e-07% change) - large trace change predicted (7.65455e-07%) - linmin: converged after 8 iterations. - iteration 438: trace = 2.429160534039245 (7.65396e-07% change) - linmin: converged after 7 iterations. - iteration 439: trace = 2.429160523677099 (4.26573e-07% change) + iteration 431: trace = 2.429160685462449 (4.65577e-07% change) linmin: converged after 5 iterations. - iteration 440: trace = 2.42916051975533 (1.61445e-07% change) - large trace change predicted (4.48006e-07%) - linmin: converged after 5 iterations. - iteration 441: trace = 2.429160508872857 (4.47993e-07% change) + iteration 432: trace = 2.429160668663507 (6.91553e-07% change) linmin: converged after 6 iterations. - iteration 442: trace = 2.429160499818887 (3.7272e-07% change) - linmin: converged after 20 iterations. - iteration 443: trace = 2.429160497920686 (7.81423e-08% change) - large trace change predicted (1.8902e-07%) + iteration 433: trace = 2.429160641445056 (1.12049e-06% change) + linmin: converged after 5 iterations. + iteration 434: trace = 2.429160633555498 (3.24785e-07% change) + large trace change predicted (1.14425e-06%) + linmin: converged after 9 iterations. + iteration 435: trace = 2.429160605763765 (1.14409e-06% change) linmin: converged after 3 iterations. - iteration 444: trace = 2.429160493329062 (1.89021e-07% change) + iteration 436: trace = 2.429160578572313 (1.11938e-06% change) linmin: converged after 3 iterations. - iteration 445: trace = 2.429160488293158 (2.0731e-07% change) - linmin: converged after 15 iterations. - iteration 446: trace = 2.429160484353091 (1.62199e-07% change) - large trace change predicted (3.93662e-07%) + iteration 437: trace = 2.429160571036337 (3.1023e-07% change) + large trace change predicted (7.77929e-07%) linmin: converged after 5 iterations. - iteration 447: trace = 2.429160474790068 (3.93676e-07% change) - linmin: converged after 11 iterations. - iteration 448: trace = 2.429160471580279 (1.32136e-07% change) - large trace change predicted (3.37821e-07%) - linmin: converged after 9 iterations. - iteration 449: trace = 2.429160463373595 (3.3784e-07% change) - large trace change predicted (7.50168e-07%) - linmin: converged after 4 iterations. - iteration 450: trace = 2.429160445149095 (7.50239e-07% change) - linmin: converged after 8 iterations. - iteration 451: trace = 2.429160430415562 (6.06528e-07% change) + iteration 438: trace = 2.429160552139541 (7.77915e-07% change) linmin: converged after 4 iterations. - iteration 452: trace = 2.429160418995421 (4.70127e-07% change) - linmin: converged after 7 iterations. - iteration 453: trace = 2.429160408187375 (4.44929e-07% change) - linmin: converged after 6 iterations. - iteration 454: trace = 2.429160392174707 (6.59185e-07% change) - linmin: converged after 14 iterations. - iteration 455: trace = 2.429160389306145 (1.18089e-07% change) - large trace change predicted (7.13829e-07%) - linmin: converged after 5 iterations. - iteration 456: trace = 2.429160371964514 (7.13894e-07% change) - linmin: converged after 7 iterations. - iteration 457: trace = 2.429160366450214 (2.27004e-07% change) + iteration 439: trace = 2.429160534990723 (7.05957e-07% change) + linmin: converged after 10 iterations. + iteration 440: trace = 2.429160530485523 (1.85463e-07% change) + large trace change predicted (4.65341e-07%) linmin: converged after 11 iterations. - iteration 458: trace = 2.429160358240431 (3.37968e-07% change) - linmin: converged after 7 iterations. - iteration 459: trace = 2.429160347465205 (4.43578e-07% change) + iteration 441: trace = 2.429160519181725 (4.65338e-07% change) + linmin: converged after 2 iterations. + iteration 442: trace = 2.429160511954281 (2.97528e-07% change) linmin: converged after 4 iterations. - iteration 460: trace = 2.429160344197699 (1.34512e-07% change) - large trace change predicted (3.7424e-07%) - linmin: converged after 5 iterations. - iteration 461: trace = 2.429160335106463 (3.74254e-07% change) - linmin: converged after 6 iterations. - iteration 462: trace = 2.429160328738462 (2.62148e-07% change) + iteration 443: trace = 2.429160508534629 (1.40775e-07% change) + linmin: converged after 10 iterations. + iteration 444: trace = 2.429160504367866 (1.71531e-07% change) linmin: converged after 6 iterations. - iteration 463: trace = 2.429160326096865 (1.08745e-07% change) - large trace change predicted (2.29086e-07%) - linmin: converged after 13 iterations. - iteration 464: trace = 2.42916032053192 (2.29089e-07% change) - linmin: converged after 4 iterations. - iteration 465: trace = 2.429160316560381 (1.63494e-07% change) + iteration 445: trace = 2.429160496328681 (3.30945e-07% change) linmin: converged after 4 iterations. - iteration 466: trace = 2.429160314743921 (7.47773e-08% change) - linmin: converged after 4 iterations. - iteration 467: trace = 2.429160311749455 (1.23272e-07% change) + iteration 446: trace = 2.429160493633673 (1.10944e-07% change) + large trace change predicted (3.68687e-07%) linmin: converged after 3 iterations. - iteration 468: trace = 2.429160306253959 (2.2623e-07% change) + iteration 447: trace = 2.42916048467746 (3.68696e-07% change) + linmin: converged after 4 iterations. + iteration 448: trace = 2.429160476430877 (3.39483e-07% change) linmin: converged after 4 iterations. - iteration 469: trace = 2.429160304081518 (8.94318e-08% change) - large trace change predicted (5.13348e-07%) + iteration 449: trace = 2.429160472554718 (1.59568e-07% change) + large trace change predicted (7.11304e-07%) + linmin: converged after 23 iterations. + iteration 450: trace = 2.429160455275102 (7.11341e-07% change) + linmin: converged after 6 iterations. + iteration 451: trace = 2.429160450706067 (1.88091e-07% change) + large trace change predicted (4.6588e-07%) linmin: converged after 5 iterations. - iteration 470: trace = 2.429160291611896 (5.13331e-07% change) + iteration 452: trace = 2.429160439388557 (4.65902e-07% change) + linmin: converged after 8 iterations. + iteration 453: trace = 2.429160426972409 (5.11129e-07% change) linmin: converged after 3 iterations. - iteration 471: trace = 2.429160283833624 (3.20204e-07% change) - linmin: converged after 16 iterations. - iteration 472: trace = 2.429160275131582 (3.58233e-07% change) - linmin: converged after 16 iterations. - iteration 473: trace = 2.429160259073368 (6.6106e-07% change) + iteration 454: trace = 2.429160422473162 (1.85218e-07% change) + large trace change predicted (5.96049e-07%) + linmin: converged after 12 iterations. + iteration 455: trace = 2.429160407993059 (5.96095e-07% change) + linmin: converged after 8 iterations. + iteration 456: trace = 2.429160390067514 (7.37932e-07% change) + linmin: converged after 15 iterations. + iteration 457: trace = 2.429160385480754 (1.88821e-07% change) + large trace change predicted (6.69802e-07%) linmin: converged after 4 iterations. - iteration 474: trace = 2.429160247142288 (4.91161e-07% change) + iteration 458: trace = 2.429160369208936 (6.69854e-07% change) + linmin: converged after 9 iterations. + iteration 459: trace = 2.429160355909797 (5.47479e-07% change) linmin: converged after 6 iterations. - iteration 475: trace = 2.429160239085526 (3.31669e-07% change) - linmin: converged after 7 iterations. - iteration 476: trace = 2.42916022558022 (5.55966e-07% change) + iteration 460: trace = 2.429160348686058 (2.97376e-07% change) + linmin: converged after 6 iterations. + iteration 461: trace = 2.42916034355918 (2.11056e-07% change) + linmin: converged after 24 iterations. + iteration 462: trace = 2.429160335979699 (3.12021e-07% change) linmin: converged after 8 iterations. - iteration 477: trace = 2.429160222701592 (1.18503e-07% change) - large trace change predicted (4.17295e-07%) - linmin: converged after 5 iterations. - iteration 478: trace = 2.429160212565087 (4.17284e-07% change) - linmin: converged after 5 iterations. - iteration 479: trace = 2.429160204034741 (3.51164e-07% change) + iteration 463: trace = 2.429160333977298 (8.24318e-08% change) + large trace change predicted (2.48184e-07%) + linmin: converged after 9 iterations. + iteration 464: trace = 2.429160327948456 (2.48186e-07% change) + linmin: converged after 6 iterations. + iteration 465: trace = 2.42916032484412 (1.27795e-07% change) + linmin: converged after 10 iterations. + iteration 466: trace = 2.429160323058616 (7.35029e-08% change) linmin: converged after 4 iterations. - iteration 480: trace = 2.429160202211879 (7.50408e-08% change) - large trace change predicted (2.07523e-07%) - linmin: converged after 13 iterations. - iteration 481: trace = 2.429160197170912 (2.07519e-07% change) - linmin: converged after 8 iterations. - iteration 482: trace = 2.429160189434346 (3.18487e-07% change) + iteration 467: trace = 2.42916031981283 (1.33618e-07% change) linmin: converged after 3 iterations. - iteration 483: trace = 2.429160186781246 (1.09219e-07% change) - linmin: converged after 10 iterations. - iteration 484: trace = 2.429160182012993 (1.96292e-07% change) + iteration 468: trace = 2.429160314071459 (2.36352e-07% change) + linmin: converged after 4 iterations. + iteration 469: trace = 2.429160311319471 (1.1329e-07% change) + large trace change predicted (3.63526e-07%) + linmin: converged after 8 iterations. + iteration 470: trace = 2.429160302488955 (3.63521e-07% change) linmin: converged after 6 iterations. - iteration 485: trace = 2.429160177176469 (1.99103e-07% change) + iteration 471: trace = 2.429160293838147 (3.56123e-07% change) linmin: converged after 3 iterations. - iteration 486: trace = 2.429160174959482 (9.12656e-08% change) - linmin: converged after 4 iterations. - iteration 487: trace = 2.429160171172834 (1.55883e-07% change) - linmin: converged after 4 iterations. - iteration 488: trace = 2.429160166507869 (1.9204e-07% change) - linmin: converged after 9 iterations. - iteration 489: trace = 2.429160160202792 (2.59558e-07% change) - resetting CG direction... - linmin: converged after 4 iterations. - iteration 490: trace = 2.429160155170272 (2.07171e-07% change) + iteration 472: trace = 2.429160288696315 (2.11671e-07% change) + large trace change predicted (7.11694e-07%) + linmin: converged after 16 iterations. + iteration 473: trace = 2.429160271409646 (7.11631e-07% change) + linmin: converged after 14 iterations. + iteration 474: trace = 2.429160260566491 (4.46375e-07% change) + linmin: converged after 16 iterations. + iteration 475: trace = 2.429160254946279 (2.31364e-07% change) + large trace change predicted (7.17377e-07%) + linmin: converged after 3 iterations. + iteration 476: trace = 2.429160237521039 (7.17336e-07% change) linmin: converged after 7 iterations. - iteration 491: trace = 2.429160151571659 (1.48142e-07% change) + iteration 477: trace = 2.429160232247229 (2.17104e-07% change) + linmin: converged after 4 iterations. + iteration 478: trace = 2.429160222419595 (4.04569e-07% change) linmin: converged after 5 iterations. - iteration 492: trace = 2.429160149556282 (8.2966e-08% change) + iteration 479: trace = 2.42916021553577 (2.83383e-07% change) + linmin: converged after 3 iterations. + iteration 480: trace = 2.429160211958549 (1.47262e-07% change) + linmin: converged after 22 iterations. + iteration 481: trace = 2.429160205257736 (2.75849e-07% change) + linmin: converged after 4 iterations. + iteration 482: trace = 2.429160195920334 (3.84388e-07% change) linmin: converged after 10 iterations. - iteration 493: trace = 2.429160146780887 (1.14253e-07% change) - linmin: converged after 2 iterations. - iteration 494: trace = 2.429160142508357 (1.75885e-07% change) - linmin: converged after 6 iterations. - iteration 495: trace = 2.429160139973566 (1.04348e-07% change) + iteration 483: trace = 2.429160194274201 (6.77655e-08% change) + large trace change predicted (2.34322e-07%) linmin: converged after 7 iterations. - iteration 496: trace = 2.429160135710989 (1.75475e-07% change) + iteration 484: trace = 2.429160188582183 (2.3432e-07% change) + linmin: converged after 12 iterations. + iteration 485: trace = 2.429160184280013 (1.77105e-07% change) + linmin: converged after 4 iterations. + iteration 486: trace = 2.429160182498487 (7.33392e-08% change) + large trace change predicted (2.08019e-07%) linmin: converged after 2 iterations. - iteration 497: trace = 2.429160129290891 (2.64293e-07% change) - linmin: converged after 21 iterations. - iteration 498: trace = 2.429160127146059 (8.82952e-08% change) + iteration 487: trace = 2.429160177445363 (2.08019e-07% change) linmin: converged after 3 iterations. - iteration 499: trace = 2.429160123941492 (1.31921e-07% change) - linmin: converged after 15 iterations. - iteration 500: trace = 2.429160119289382 (1.91511e-07% change) - linmin: converged after 10 iterations. - iteration 501: trace = 2.429160117349411 (7.98618e-08% change) - large trace change predicted (2.72437e-07%) - linmin: converged after 15 iterations. - iteration 502: trace = 2.429160110731423 (2.72439e-07% change) - linmin: converged after 18 iterations. - iteration 503: trace = 2.429160106797444 (1.61948e-07% change) - linmin: converged after 14 iterations. - iteration 504: trace = 2.429160100888619 (2.43246e-07% change) + iteration 488: trace = 2.429160174319449 (1.28683e-07% change) linmin: converged after 3 iterations. - iteration 505: trace = 2.429160090558906 (4.25238e-07% change) - linmin: converged after 2 iterations. - iteration 506: trace = 2.429160086442407 (1.69462e-07% change) - linmin: converged after 14 iterations. - iteration 507: trace = 2.429160080154664 (2.58844e-07% change) + iteration 489: trace = 2.429160169939574 (1.80304e-07% change) + resetting CG direction... + linmin: converged after 5 iterations. + iteration 490: trace = 2.429160166109589 (1.57667e-07% change) + linmin: converged after 5 iterations. + iteration 491: trace = 2.429160163485656 (1.08018e-07% change) linmin: converged after 3 iterations. - iteration 508: trace = 2.429160072676628 (3.07845e-07% change) - linmin: converged after 14 iterations. - iteration 509: trace = 2.429160069911462 (1.13832e-07% change) + iteration 492: trace = 2.429160161516018 (8.10831e-08% change) + linmin: converged after 16 iterations. + iteration 493: trace = 2.429160158396771 (1.28408e-07% change) + linmin: converged after 16 iterations. + iteration 494: trace = 2.429160154285902 (1.6923e-07% change) + linmin: converged after 3 iterations. + iteration 495: trace = 2.429160152462996 (7.50427e-08% change) + large trace change predicted (2.00313e-07%) + linmin: converged after 22 iterations. + iteration 496: trace = 2.429160147597048 (2.00314e-07% change) + linmin: converged after 2 iterations. + iteration 497: trace = 2.429160140271878 (3.01552e-07% change) + linmin: converged after 16 iterations. + iteration 498: trace = 2.429160138263008 (8.26981e-08% change) + large trace change predicted (2.43876e-07%) + linmin: converged after 10 iterations. + iteration 499: trace = 2.429160132338934 (2.43873e-07% change) linmin: converged after 13 iterations. - iteration 510: trace = 2.429160066042389 (1.59276e-07% change) - linmin: converged after 8 iterations. - iteration 511: trace = 2.429160062995054 (1.25448e-07% change) - linmin: converged after 6 iterations. - iteration 512: trace = 2.429160062364289 (2.59664e-08% change) - large trace change predicted (6.72364e-08%) + iteration 500: trace = 2.429160127398629 (2.03375e-07% change) linmin: converged after 4 iterations. - iteration 513: trace = 2.429160060730999 (6.72368e-08% change) - linmin: converged after 9 iterations. - iteration 514: trace = 2.429160059092071 (6.74689e-08% change) + iteration 501: trace = 2.429160125714919 (6.93124e-08% change) + large trace change predicted (3.18972e-07%) + linmin: converged after 11 iterations. + iteration 502: trace = 2.429160117966464 (3.18977e-07% change) + linmin: converged after 2 iterations. + iteration 503: trace = 2.429160113418695 (1.87216e-07% change) + linmin: converged after 30 iterations. + iteration 504: trace = 2.429160106034132 (3.03997e-07% change) + linmin: converged after 3 iterations. + iteration 505: trace = 2.429160097892968 (3.35143e-07% change) + linmin: converged after 5 iterations. + iteration 506: trace = 2.429160090441163 (3.06765e-07% change) + linmin: converged after 11 iterations. + iteration 507: trace = 2.429160087376641 (1.26156e-07% change) + large trace change predicted (2.8294e-07%) + linmin: converged after 17 iterations. + iteration 508: trace = 2.429160080503498 (2.82943e-07% change) linmin: converged after 4 iterations. - iteration 515: trace = 2.429160058640223 (1.8601e-08% change) - large trace change predicted (1.37788e-07%) + iteration 509: trace = 2.429160077158182 (1.37715e-07% change) linmin: converged after 4 iterations. - iteration 516: trace = 2.429160055293215 (1.37785e-07% change) + iteration 510: trace = 2.429160075781022 (5.66928e-08% change) + large trace change predicted (1.45997e-07%) linmin: converged after 4 iterations. - iteration 517: trace = 2.429160052668501 (1.0805e-07% change) + iteration 511: trace = 2.429160072234513 (1.45997e-07% change) + linmin: converged after 3 iterations. + iteration 512: trace = 2.429160071436351 (3.28575e-08% change) + linmin: converged after 28 iterations. + iteration 513: trace = 2.42916007014052 (5.33448e-08% change) + linmin: converged after 15 iterations. + iteration 514: trace = 2.429160068580117 (6.42363e-08% change) linmin: converged after 4 iterations. - iteration 518: trace = 2.429160051444667 (5.0381e-08% change) - large trace change predicted (1.56117e-07%) - linmin: converged after 21 iterations. - iteration 519: trace = 2.429160047652415 (1.56114e-07% change) + iteration 515: trace = 2.429160067871 (2.91918e-08% change) + large trace change predicted (1.26529e-07%) linmin: converged after 5 iterations. - iteration 520: trace = 2.429160043638118 (1.65255e-07% change) - linmin: converged after 4 iterations. - iteration 521: trace = 2.429160041837858 (7.41104e-08% change) + iteration 516: trace = 2.429160064797429 (1.26528e-07% change) + linmin: converged after 8 iterations. + iteration 517: trace = 2.429160061799776 (1.23403e-07% change) + linmin: converged after 8 iterations. + iteration 518: trace = 2.429160060509937 (5.30981e-08% change) + large trace change predicted (1.77394e-07%) + linmin: converged after 14 iterations. + iteration 519: trace = 2.429160056200906 (1.77388e-07% change) + linmin: converged after 26 iterations. + iteration 520: trace = 2.429160051005641 (2.13871e-07% change) linmin: converged after 5 iterations. - iteration 522: trace = 2.429160038508229 (1.37069e-07% change) + iteration 521: trace = 2.429160046488851 (1.8594e-07% change) + linmin: converged after 10 iterations. + iteration 522: trace = 2.429160044336535 (8.86033e-08% change) + large trace change predicted (2.76454e-07%) + linmin: converged after 17 iterations. + iteration 523: trace = 2.429160037621475 (2.76435e-07% change) + linmin: converged after 9 iterations. + iteration 524: trace = 2.429160036427759 (4.91411e-08% change) + large trace change predicted (2.15134e-07%) + linmin: converged after 7 iterations. + iteration 525: trace = 2.429160031202049 (2.15124e-07% change) + linmin: converged after 13 iterations. + iteration 526: trace = 2.429160027034043 (1.71582e-07% change) + linmin: converged after 3 iterations. + iteration 527: trace = 2.429160023786654 (1.33684e-07% change) linmin: converged after 35 iterations. - iteration 523: trace = 2.429160032321545 (2.54684e-07% change) - linmin: converged after 4 iterations. - iteration 524: trace = 2.429160031307016 (4.17646e-08% change) - large trace change predicted (2.14345e-07%) - linmin: converged after 4 iterations. - iteration 525: trace = 2.429160026100677 (2.14327e-07% change) + iteration 528: trace = 2.429160022481111 (5.37446e-08% change) + large trace change predicted (1.87331e-07%) + linmin: converged after 7 iterations. + iteration 529: trace = 2.429160017930654 (1.87326e-07% change) + linmin: converged after 3 iterations. + iteration 530: trace = 2.429160017067181 (3.55462e-08% change) + large trace change predicted (9.34661e-08%) + linmin: converged after 10 iterations. + iteration 531: trace = 2.429160014796772 (9.34647e-08% change) linmin: converged after 4 iterations. - iteration 526: trace = 2.429160023199376 (1.19436e-07% change) + iteration 532: trace = 2.429160012802146 (8.21118e-08% change) + linmin: converged after 10 iterations. + iteration 533: trace = 2.429160012328096 (1.9515e-08% change) + large trace change predicted (9.78383e-08%) linmin: converged after 5 iterations. - iteration 527: trace = 2.429160019372536 (1.57538e-07% change) - linmin: converged after 4 iterations. - iteration 528: trace = 2.42916001545453 (1.61291e-07% change) - linmin: converged after 24 iterations. - iteration 529: trace = 2.429160013400103 (8.45735e-08% change) - linmin: converged after 4 iterations. - iteration 530: trace = 2.42916001041666 (1.22818e-07% change) - linmin: converged after 26 iterations. - iteration 531: trace = 2.4291600078618 (1.05175e-07% change) + iteration 534: trace = 2.42916000995145 (9.78382e-08% change) linmin: converged after 9 iterations. - iteration 532: trace = 2.429160006365997 (6.15769e-08% change) + iteration 535: trace = 2.42916000918117 (3.17097e-08% change) + linmin: converged after 10 iterations. + iteration 536: trace = 2.42916000852723 (2.69204e-08% change) + large trace change predicted (9.1892e-08%) linmin: converged after 6 iterations. - iteration 533: trace = 2.429160005060261 (5.37526e-08% change) + iteration 537: trace = 2.429160006295032 (9.18918e-08% change) + linmin: converged after 6 iterations. + iteration 538: trace = 2.429160005030311 (5.20641e-08% change) linmin: converged after 5 iterations. - iteration 534: trace = 2.429160003164485 (7.80424e-08% change) - linmin: converged after 23 iterations. - iteration 535: trace = 2.42916000262062 (2.2389e-08% change) + iteration 539: trace = 2.429160002972313 (8.47206e-08% change) linmin: converged after 4 iterations. - iteration 536: trace = 2.429160001707465 (3.75914e-08% change) - linmin: converged after 6 iterations. - iteration 537: trace = 2.42915999996646 (7.16711e-08% change) + iteration 540: trace = 2.429159999608117 (1.38492e-07% change) + linmin: converged after 21 iterations. + iteration 541: trace = 2.429159997829739 (7.32096e-08% change) + linmin: converged after 21 iterations. + iteration 542: trace = 2.429159994795537 (1.24907e-07% change) linmin: converged after 5 iterations. - iteration 538: trace = 2.429159999583672 (1.5758e-08% change) - large trace change predicted (1.14684e-07%) + iteration 543: trace = 2.42915998976581 (2.07056e-07% change) + linmin: converged after 7 iterations. + iteration 544: trace = 2.429159988128423 (6.74055e-08% change) + large trace change predicted (2.06332e-07%) + linmin: converged after 44 iterations. + iteration 545: trace = 2.429159983115926 (2.06347e-07% change) linmin: converged after 4 iterations. - iteration 539: trace = 2.429159996797819 (1.14684e-07% change) - linmin: converged after 42 iterations. - iteration 540: trace = 2.429159994434252 (9.72998e-08% change) + iteration 546: trace = 2.429159977971897 (2.11762e-07% change) + linmin: converged after 5 iterations. + iteration 547: trace = 2.429159975319989 (1.0917e-07% change) + linmin: converged after 10 iterations. + iteration 548: trace = 2.429159973440865 (7.7357e-08% change) + linmin: converged after 29 iterations. + iteration 549: trace = 2.429159971691162 (7.20291e-08% change) + linmin: converged after 23 iterations. + iteration 550: trace = 2.429159970620067 (4.40932e-08% change) linmin: converged after 4 iterations. - iteration 541: trace = 2.429159992983682 (5.97149e-08% change) - large trace change predicted (1.32497e-07%) + iteration 551: trace = 2.42915996897438 (6.77472e-08% change) linmin: converged after 4 iterations. - iteration 542: trace = 2.429159989765094 (1.32498e-07% change) - linmin: converged after 22 iterations. - iteration 543: trace = 2.429159986006735 (1.54718e-07% change) - linmin: converged after 14 iterations. - iteration 544: trace = 2.429159984648221 (5.59252e-08% change) - large trace change predicted (1.75215e-07%) - linmin: converged after 8 iterations. - iteration 545: trace = 2.429159980391693 (1.75226e-07% change) - linmin: converged after 6 iterations. - iteration 546: trace = 2.429159975868127 (1.86219e-07% change) - linmin: converged after 6 iterations. - iteration 547: trace = 2.42915997401394 (7.63304e-08% change) - linmin: converged after 28 iterations. - iteration 548: trace = 2.429159970899685 (1.28203e-07% change) - linmin: converged after 6 iterations. - iteration 549: trace = 2.429159969023587 (7.72324e-08% change) + iteration 552: trace = 2.429159966365233 (1.07409e-07% change) + linmin: converged after 5 iterations. + iteration 553: trace = 2.429159965885836 (1.97351e-08% change) + large trace change predicted (6.6704e-08%) + linmin: converged after 5 iterations. + iteration 554: trace = 2.429159964265446 (6.67058e-08% change) + linmin: converged after 32 iterations. + iteration 555: trace = 2.429159962292651 (8.1213e-08% change) linmin: converged after 4 iterations. - iteration 550: trace = 2.429159966923767 (8.64422e-08% change) - linmin: converged after 22 iterations. - iteration 551: trace = 2.42915996411646 (1.15567e-07% change) - linmin: converged after 13 iterations. - iteration 552: trace = 2.429159963256416 (3.5405e-08% change) - large trace change predicted (8.8105e-08%) + iteration 556: trace = 2.429159961721625 (2.35071e-08% change) + large trace change predicted (5.80421e-08%) linmin: converged after 7 iterations. - iteration 553: trace = 2.429159961116178 (8.81061e-08% change) - linmin: converged after 11 iterations. - iteration 554: trace = 2.429159959850148 (5.2118e-08% change) + iteration 557: trace = 2.429159960311655 (5.80435e-08% change) linmin: converged after 4 iterations. - iteration 555: trace = 2.429159959204245 (2.65896e-08% change) - large trace change predicted (7.54184e-08%) - linmin: converged after 6 iterations. - iteration 556: trace = 2.429159957372193 (7.54191e-08% change) - linmin: converged after 9 iterations. - iteration 557: trace = 2.429159956173438 (4.93485e-08% change) + iteration 558: trace = 2.429159958748411 (6.43533e-08% change) linmin: converged after 4 iterations. - iteration 558: trace = 2.429159955303898 (3.5796e-08% change) - linmin: converged after 21 iterations. - iteration 559: trace = 2.429159954282675 (4.20402e-08% change) + iteration 559: trace = 2.429159958004168 (3.06379e-08% change) resetting CG direction... - linmin: converged after 27 iterations. - iteration 560: trace = 2.4291599533282 (3.92924e-08% change) - linmin: converged after 4 iterations. - iteration 561: trace = 2.429159952578358 (3.08684e-08% change) + linmin: converged after 6 iterations. + iteration 560: trace = 2.429159957292395 (2.93012e-08% change) + linmin: converged after 2 iterations. + iteration 561: trace = 2.429159955935179 (5.58718e-08% change) + linmin: converged after 13 iterations. + iteration 562: trace = 2.429159955008442 (3.81505e-08% change) + linmin: converged after 3 iterations. + iteration 563: trace = 2.429159954201245 (3.32295e-08% change) + large trace change predicted (6.98777e-08%) + linmin: converged after 20 iterations. + iteration 564: trace = 2.429159952503829 (6.98766e-08% change) + linmin: converged after 7 iterations. + iteration 565: trace = 2.429159951408978 (4.50712e-08% change) + linmin: converged after 14 iterations. + iteration 566: trace = 2.429159950720064 (2.83601e-08% change) + large trace change predicted (9.41595e-08%) + linmin: converged after 5 iterations. + iteration 567: trace = 2.429159948432851 (9.41565e-08% change) linmin: converged after 4 iterations. - iteration 562: trace = 2.429159951443056 (4.67364e-08% change) + iteration 568: trace = 2.429159947782077 (2.67901e-08% change) + large trace change predicted (6.54335e-08%) + linmin: converged after 17 iterations. + iteration 569: trace = 2.429159946192618 (6.54324e-08% change) linmin: converged after 4 iterations. - iteration 563: trace = 2.429159950151545 (5.3167e-08% change) - linmin: converged after 22 iterations. - iteration 564: trace = 2.429159949375478 (3.1948e-08% change) + iteration 570: trace = 2.429159944936037 (5.17291e-08% change) linmin: converged after 4 iterations. - iteration 565: trace = 2.429159948162482 (4.99348e-08% change) + iteration 571: trace = 2.429159944079857 (3.52459e-08% change) + large trace change predicted (8.83641e-08%) linmin: converged after 4 iterations. - iteration 566: trace = 2.4291599472449 (3.77736e-08% change) + iteration 572: trace = 2.429159941933406 (8.83619e-08% change) linmin: converged after 4 iterations. - iteration 567: trace = 2.429159945643833 (6.59103e-08% change) - linmin: converged after 5 iterations. - iteration 568: trace = 2.429159943403913 (9.22097e-08% change) - linmin: converged after 8 iterations. - iteration 569: trace = 2.42915994270143 (2.89188e-08% change) - large trace change predicted (8.76938e-08%) - linmin: converged after 26 iterations. - iteration 570: trace = 2.429159940571244 (8.76923e-08% change) + iteration 573: trace = 2.429159939469736 (1.01421e-07% change) linmin: converged after 4 iterations. - iteration 571: trace = 2.429159938341358 (9.17966e-08% change) - linmin: converged after 2 iterations. - iteration 572: trace = 2.429159937434698 (3.7324e-08% change) - large trace change predicted (1.16727e-07%) - linmin: converged after 7 iterations. - iteration 573: trace = 2.429159934599276 (1.16724e-07% change) - linmin: converged after 11 iterations. - iteration 574: trace = 2.429159932015457 (1.06367e-07% change) + iteration 574: trace = 2.429159938444569 (4.22026e-08% change) + large trace change predicted (1.37099e-07%) linmin: converged after 6 iterations. - iteration 575: trace = 2.429159931189711 (3.39931e-08% change) - large trace change predicted (8.44899e-08%) + iteration 575: trace = 2.429159935114394 (1.37092e-07% change) linmin: converged after 4 iterations. - iteration 576: trace = 2.429159929137369 (8.44877e-08% change) - linmin: converged after 9 iterations. - iteration 577: trace = 2.429159927564719 (6.47405e-08% change) - linmin: converged after 11 iterations. - iteration 578: trace = 2.429159926618487 (3.89531e-08% change) + iteration 576: trace = 2.429159932582732 (1.0422e-07% change) linmin: converged after 6 iterations. - iteration 579: trace = 2.429159925434069 (4.87583e-08% change) - linmin: converged after 4 iterations. - iteration 580: trace = 2.429159924270412 (4.79037e-08% change) - linmin: converged after 4 iterations. - iteration 581: trace = 2.429159923930551 (1.39909e-08% change) - large trace change predicted (3.59666e-08%) - linmin: converged after 19 iterations. - iteration 582: trace = 2.429159923056868 (3.59665e-08% change) - linmin: converged after 4 iterations. - iteration 583: trace = 2.429159922883604 (7.13267e-09% change) - large trace change predicted (1.89981e-08%) + iteration 577: trace = 2.429159931704295 (3.61621e-08% change) + large trace change predicted (9.38116e-08%) + linmin: converged after 6 iterations. + iteration 578: trace = 2.429159929425479 (9.38109e-08% change) + linmin: converged after 3 iterations. + iteration 579: trace = 2.429159927846485 (6.50016e-08% change) + linmin: converged after 3 iterations. + iteration 580: trace = 2.429159927354667 (2.02464e-08% change) + large trace change predicted (5.71354e-08%) linmin: converged after 6 iterations. - iteration 584: trace = 2.429159922422107 (1.89982e-08% change) + iteration 581: trace = 2.429159925966764 (5.71351e-08% change) linmin: converged after 4 iterations. - iteration 585: trace = 2.42915992158914 (3.42903e-08% change) - linmin: converged after 38 iterations. - iteration 586: trace = 2.42915992139257 (8.09211e-09% change) - large trace change predicted (4.54423e-08%) - linmin: converged after 15 iterations. - iteration 587: trace = 2.429159920288687 (4.5443e-08% change) + iteration 582: trace = 2.429159925730402 (9.7302e-09% change) + large trace change predicted (3.73174e-08%) + linmin: converged after 26 iterations. + iteration 583: trace = 2.429159924823895 (3.73177e-08% change) + linmin: converged after 5 iterations. + iteration 584: trace = 2.429159924351146 (1.94614e-08% change) linmin: converged after 4 iterations. - iteration 588: trace = 2.429159919525869 (3.14026e-08% change) - linmin: converged after 22 iterations. - iteration 589: trace = 2.429159918945448 (2.38939e-08% change) - large trace change predicted (7.26257e-08%) + iteration 585: trace = 2.429159923588008 (3.14157e-08% change) + linmin: converged after 23 iterations. + iteration 586: trace = 2.429159923169482 (1.72293e-08% change) + large trace change predicted (3.87905e-08%) + linmin: converged after 18 iterations. + iteration 587: trace = 2.429159922227193 (3.87907e-08% change) + linmin: converged after 13 iterations. + iteration 588: trace = 2.429159921376683 (3.50125e-08% change) + linmin: converged after 7 iterations. + iteration 589: trace = 2.429159920887276 (2.01472e-08% change) + large trace change predicted (7.57054e-08%) + linmin: converged after 10 iterations. + iteration 590: trace = 2.42915991904824 (7.57066e-08% change) linmin: converged after 4 iterations. - iteration 590: trace = 2.429159917181199 (7.26279e-08% change) - linmin: converged after 6 iterations. - iteration 591: trace = 2.429159915582289 (6.58215e-08% change) + iteration 591: trace = 2.429159918473205 (2.36722e-08% change) + large trace change predicted (4.75345e-08%) linmin: converged after 7 iterations. - iteration 592: trace = 2.429159913632309 (8.02739e-08% change) - linmin: converged after 18 iterations. - iteration 593: trace = 2.429159913160523 (1.94218e-08% change) - large trace change predicted (7.30788e-08%) - linmin: converged after 23 iterations. - iteration 594: trace = 2.429159911385252 (7.30817e-08% change) + iteration 592: trace = 2.429159917318511 (4.75347e-08% change) linmin: converged after 8 iterations. - iteration 595: trace = 2.429159910327386 (4.35486e-08% change) - linmin: converged after 6 iterations. - iteration 596: trace = 2.429159909261152 (4.38931e-08% change) - linmin: converged after 9 iterations. - iteration 597: trace = 2.429159908063157 (4.93173e-08% change) - linmin: converged after 4 iterations. - iteration 598: trace = 2.429159907270598 (3.26268e-08% change) - linmin: converged after 4 iterations. - iteration 599: trace = 2.429159906645621 (2.57281e-08% change) + iteration 593: trace = 2.429159915902747 (5.8282e-08% change) linmin: converged after 19 iterations. - iteration 600: trace = 2.429159905508479 (4.68121e-08% change) - linmin: converged after 10 iterations. - iteration 601: trace = 2.429159905267895 (9.904e-09% change) - large trace change predicted (2.6928e-08%) + iteration 594: trace = 2.429159914684724 (5.01417e-08% change) linmin: converged after 4 iterations. - iteration 602: trace = 2.429159904613762 (2.69284e-08% change) - linmin: converged after 4 iterations. - iteration 603: trace = 2.429159903878265 (3.02778e-08% change) - linmin: converged after 3 iterations. - iteration 604: trace = 2.429159903713339 (6.78944e-09% change) - large trace change predicted (2.14492e-08%) - linmin: converged after 5 iterations. - iteration 605: trace = 2.429159903192303 (2.14492e-08% change) - linmin: converged after 19 iterations. - iteration 606: trace = 2.429159902932113 (1.07111e-08% change) - linmin: converged after 17 iterations. - iteration 607: trace = 2.429159902765158 (6.87297e-09% change) - large trace change predicted (3.11253e-08%) - linmin: converged after 3 iterations. - iteration 608: trace = 2.429159902009078 (3.11251e-08% change) - linmin: converged after 8 iterations. - iteration 609: trace = 2.429159901481877 (2.1703e-08% change) - linmin: converged after 17 iterations. - iteration 610: trace = 2.429159900588093 (3.67939e-08% change) + iteration 595: trace = 2.429159913847853 (3.44511e-08% change) + large trace change predicted (9.16569e-08%) linmin: converged after 4 iterations. - iteration 611: trace = 2.42915989927498 (5.40563e-08% change) + iteration 596: trace = 2.429159911621298 (9.16595e-08% change) + linmin: converged after 6 iterations. + iteration 597: trace = 2.429159910874683 (3.07355e-08% change) linmin: converged after 4 iterations. - iteration 612: trace = 2.42915989861517 (2.7162e-08% change) - large trace change predicted (5.86787e-08%) - linmin: converged after 3 iterations. - iteration 613: trace = 2.42915989718979 (5.86779e-08% change) - linmin: converged after 8 iterations. - iteration 614: trace = 2.429159895493415 (6.98338e-08% change) - linmin: converged after 18 iterations. - iteration 615: trace = 2.429159894934415 (2.30121e-08% change) - large trace change predicted (5.43398e-08%) + iteration 598: trace = 2.42915990949646 (5.67366e-08% change) + linmin: converged after 13 iterations. + iteration 599: trace = 2.429159908089705 (5.79112e-08% change) + linmin: converged after 34 iterations. + iteration 600: trace = 2.429159907549123 (2.22539e-08% change) + linmin: converged after 5 iterations. + iteration 601: trace = 2.429159906725425 (3.39088e-08% change) linmin: converged after 6 iterations. - iteration 616: trace = 2.429159893614428 (5.43392e-08% change) + iteration 602: trace = 2.429159905956149 (3.16684e-08% change) linmin: converged after 11 iterations. - iteration 617: trace = 2.429159892495774 (4.60511e-08% change) - linmin: converged after 10 iterations. - iteration 618: trace = 2.429159892304168 (7.88774e-09% change) - large trace change predicted (3.69638e-08%) - linmin: converged after 8 iterations. - iteration 619: trace = 2.429159891406282 (3.69628e-08% change) - linmin: converged after 4 iterations. - iteration 620: trace = 2.429159890950887 (1.8747e-08% change) + iteration 603: trace = 2.429159905795756 (6.60278e-09% change) + large trace change predicted (3.31093e-08%) + linmin: converged after 25 iterations. + iteration 604: trace = 2.429159904991478 (3.31093e-08% change) + linmin: converged after 5 iterations. + iteration 605: trace = 2.42915990472561 (1.09448e-08% change) + linmin: converged after 11 iterations. + iteration 606: trace = 2.429159904446117 (1.15058e-08% change) linmin: converged after 4 iterations. - iteration 621: trace = 2.429159890060528 (3.6653e-08% change) - linmin: converged after 15 iterations. - iteration 622: trace = 2.429159889869549 (7.86196e-09% change) - large trace change predicted (2.69517e-08%) + iteration 607: trace = 2.429159904113108 (1.37088e-08% change) + linmin: converged after 6 iterations. + iteration 608: trace = 2.429159903487209 (2.57661e-08% change) linmin: converged after 4 iterations. - iteration 623: trace = 2.429159889214849 (2.69517e-08% change) + iteration 609: trace = 2.429159903211452 (1.1352e-08% change) + large trace change predicted (3.76373e-08%) linmin: converged after 4 iterations. - iteration 624: trace = 2.42915988888567 (1.35511e-08% change) - linmin: converged after 3 iterations. - iteration 625: trace = 2.429159888529328 (1.46694e-08% change) - linmin: converged after 2 iterations. - iteration 626: trace = 2.42915988800726 (2.14917e-08% change) + iteration 610: trace = 2.429159902297186 (3.76371e-08% change) + linmin: converged after 12 iterations. + iteration 611: trace = 2.429159901399321 (3.6962e-08% change) + linmin: converged after 22 iterations. + iteration 612: trace = 2.429159900786339 (2.52343e-08% change) + large trace change predicted (7.26041e-08%) + linmin: converged after 7 iterations. + iteration 613: trace = 2.429159899022748 (7.26009e-08% change) + linmin: converged after 12 iterations. + iteration 614: trace = 2.429159897756692 (5.21191e-08% change) linmin: converged after 4 iterations. - iteration 627: trace = 2.429159887835717 (7.0618e-09% change) - large trace change predicted (1.67644e-08%) - linmin: converged after 21 iterations. - iteration 628: trace = 2.42915988742849 (1.67641e-08% change) - large trace change predicted (1.49533e-07%) - linmin: converged after 3 iterations. - iteration 629: trace = 2.429159883796028 (1.49536e-07% change) - resetting CG direction... + iteration 615: trace = 2.429159897228582 (2.17404e-08% change) + large trace change predicted (7.52995e-08%) + linmin: converged after 13 iterations. + iteration 616: trace = 2.429159895399488 (7.52974e-08% change) linmin: converged after 6 iterations. - iteration 630: trace = 2.429159883038646 (3.11788e-08% change) - linmin: converged after 4 iterations. - iteration 631: trace = 2.429159881622925 (5.82803e-08% change) - linmin: converged after 4 iterations. - iteration 632: trace = 2.429159881236958 (1.58889e-08% change) + iteration 617: trace = 2.429159894345087 (4.3406e-08% change) + linmin: converged after 5 iterations. + iteration 618: trace = 2.429159893818566 (2.1675e-08% change) linmin: converged after 4 iterations. - iteration 633: trace = 2.429159880753894 (1.98861e-08% change) + iteration 619: trace = 2.429159892995912 (3.38658e-08% change) linmin: converged after 4 iterations. - iteration 634: trace = 2.429159880061657 (2.8497e-08% change) - linmin: converged after 7 iterations. - iteration 635: trace = 2.429159879702636 (1.47796e-08% change) - linmin: converged after 6 iterations. - iteration 636: trace = 2.429159879341687 (1.4859e-08% change) - linmin: converged after 6 iterations. - iteration 637: trace = 2.429159879034207 (1.26579e-08% change) - linmin: converged after 31 iterations. - iteration 638: trace = 2.429159878958209 (3.12858e-09% change) - large trace change predicted (1.65259e-08%) - linmin: converged after 6 iterations. - iteration 639: trace = 2.429159878556769 (1.65259e-08% change) - linmin: converged after 3 iterations. - iteration 640: trace = 2.429159878234658 (1.32602e-08% change) - linmin: converged after 11 iterations. - iteration 641: trace = 2.42915987803354 (8.27933e-09% change) + iteration 620: trace = 2.429159892582383 (1.70235e-08% change) linmin: converged after 16 iterations. - iteration 642: trace = 2.429159877639404 (1.62252e-08% change) - linmin: converged after 12 iterations. - iteration 643: trace = 2.429159877048272 (2.43348e-08% change) + iteration 621: trace = 2.429159892016658 (2.32889e-08% change) + linmin: converged after 8 iterations. + iteration 622: trace = 2.429159891046095 (3.99547e-08% change) + linmin: converged after 13 iterations. + iteration 623: trace = 2.429159890870174 (7.24204e-09% change) + large trace change predicted (2.73383e-08%) + linmin: converged after 9 iterations. + iteration 624: trace = 2.42915989020609 (2.7338e-08% change) linmin: converged after 4 iterations. - iteration 644: trace = 2.429159876730426 (1.30846e-08% change) - large trace change predicted (2.97486e-08%) + iteration 625: trace = 2.429159889729047 (1.96382e-08% change) linmin: converged after 4 iterations. - iteration 645: trace = 2.429159876007781 (2.97488e-08% change) - linmin: converged after 27 iterations. - iteration 646: trace = 2.42915987547254 (2.2034e-08% change) - linmin: converged after 6 iterations. - iteration 647: trace = 2.429159875129366 (1.41273e-08% change) - linmin: converged after 9 iterations. - iteration 648: trace = 2.429159874455769 (2.77296e-08% change) + iteration 626: trace = 2.42915988954589 (7.53993e-09% change) + large trace change predicted (2.38961e-08%) + linmin: converged after 10 iterations. + iteration 627: trace = 2.429159888965412 (2.38962e-08% change) + linmin: converged after 8 iterations. + iteration 628: trace = 2.429159888653039 (1.28593e-08% change) + large trace change predicted (6.1538e-08%) + linmin: converged after 3 iterations. + iteration 629: trace = 2.429159887158175 (6.15383e-08% change) + resetting CG direction... + linmin: converged after 3 iterations. + iteration 630: trace = 2.429159886171544 (4.06161e-08% change) linmin: converged after 5 iterations. - iteration 649: trace = 2.42915987404839 (1.67704e-08% change) - linmin: converged after 2 iterations. - iteration 650: trace = 2.429159873754049 (1.2117e-08% change) - large trace change predicted (2.64427e-08%) - linmin: converged after 2 iterations. - iteration 651: trace = 2.429159873111707 (2.6443e-08% change) - linmin: converged after 12 iterations. - iteration 652: trace = 2.429159872945354 (6.84816e-09% change) - large trace change predicted (1.63505e-08%) + iteration 631: trace = 2.429159885768438 (1.65945e-08% change) + linmin: converged after 21 iterations. + iteration 632: trace = 2.429159885617287 (6.22232e-09% change) + linmin: converged after 6 iterations. + iteration 633: trace = 2.42915988532945 (1.18492e-08% change) + large trace change predicted (2.88589e-08%) linmin: converged after 4 iterations. - iteration 653: trace = 2.429159872548171 (1.63506e-08% change) + iteration 634: trace = 2.42915988462842 (2.8859e-08% change) + linmin: converged after 29 iterations. + iteration 635: trace = 2.429159884446339 (7.49562e-09% change) + large trace change predicted (1.88665e-08%) linmin: converged after 2 iterations. - iteration 654: trace = 2.429159872291909 (1.05494e-08% change) - linmin: converged after 14 iterations. - iteration 655: trace = 2.429159872142755 (6.14015e-09% change) + iteration 636: trace = 2.429159883988047 (1.88663e-08% change) + linmin: converged after 3 iterations. + iteration 637: trace = 2.429159883370501 (2.54222e-08% change) + linmin: converged after 3 iterations. + iteration 638: trace = 2.429159883232111 (5.697e-09% change) + large trace change predicted (2.33305e-08%) + linmin: converged after 11 iterations. + iteration 639: trace = 2.429159882665376 (2.33305e-08% change) + linmin: converged after 8 iterations. + iteration 640: trace = 2.429159882323309 (1.40817e-08% change) linmin: converged after 4 iterations. - iteration 656: trace = 2.429159872109711 (1.3603e-09% change) - large trace change predicted (7.79195e-09%) + iteration 641: trace = 2.429159882013759 (1.27431e-08% change) + large trace change predicted (2.90667e-08%) + linmin: converged after 32 iterations. + iteration 642: trace = 2.429159881307679 (2.90668e-08% change) linmin: converged after 4 iterations. - iteration 657: trace = 2.429159871920432 (7.79196e-09% change) + iteration 643: trace = 2.429159880507973 (3.29211e-08% change) + linmin: converged after 15 iterations. + iteration 644: trace = 2.429159879730666 (3.1999e-08% change) + linmin: converged after 5 iterations. + iteration 645: trace = 2.429159878908315 (3.38533e-08% change) linmin: converged after 10 iterations. - iteration 658: trace = 2.429159871785886 (5.53879e-09% change) + iteration 646: trace = 2.429159878349882 (2.29887e-08% change) + linmin: converged after 13 iterations. + iteration 647: trace = 2.429159877888744 (1.89834e-08% change) + linmin: converged after 6 iterations. + iteration 648: trace = 2.429159877248502 (2.63565e-08% change) + linmin: converged after 13 iterations. + iteration 649: trace = 2.429159876992025 (1.05583e-08% change) + linmin: converged after 28 iterations. + iteration 650: trace = 2.429159876739563 (1.0393e-08% change) + linmin: converged after 19 iterations. + iteration 651: trace = 2.429159876306363 (1.78333e-08% change) linmin: converged after 4 iterations. - iteration 659: trace = 2.429159871654988 (5.38859e-09% change) - large trace change predicted (1.08662e-08%) - linmin: converged after 7 iterations. - iteration 660: trace = 2.429159871391035 (1.08661e-08% change) + iteration 652: trace = 2.429159876243776 (2.5765e-09% change) + large trace change predicted (8.75243e-09%) linmin: converged after 14 iterations. - iteration 661: trace = 2.429159871232291 (6.5349e-09% change) - large trace change predicted (1.76444e-08%) - linmin: converged after 4 iterations. - iteration 662: trace = 2.429159870803683 (1.76443e-08% change) + iteration 653: trace = 2.429159876031164 (8.75248e-09% change) + linmin: converged after 6 iterations. + iteration 654: trace = 2.429159875843736 (7.71577e-09% change) + linmin: converged after 2 iterations. + iteration 655: trace = 2.42915987578295 (2.50233e-09% change) + large trace change predicted (1.04463e-08%) + linmin: converged after 2 iterations. + iteration 656: trace = 2.429159875529195 (1.04462e-08% change) + linmin: converged after 28 iterations. + iteration 657: trace = 2.429159875223971 (1.2565e-08% change) + linmin: converged after 6 iterations. + iteration 658: trace = 2.429159875000858 (9.18478e-09% change) linmin: converged after 4 iterations. - iteration 663: trace = 2.4291598704218 (1.57208e-08% change) + iteration 659: trace = 2.429159874818021 (7.52675e-09% change) + large trace change predicted (2.08925e-08%) + linmin: converged after 15 iterations. + iteration 660: trace = 2.429159874310518 (2.08921e-08% change) + linmin: converged after 3 iterations. + iteration 661: trace = 2.429159874057849 (1.04015e-08% change) + large trace change predicted (2.40948e-08%) linmin: converged after 8 iterations. - iteration 664: trace = 2.429159870020711 (1.65114e-08% change) - linmin: converged after 23 iterations. - iteration 665: trace = 2.429159869830023 (7.84993e-09% change) - large trace change predicted (2.02638e-08%) - linmin: converged after 10 iterations. - iteration 666: trace = 2.429159869337793 (2.02634e-08% change) - linmin: converged after 4 iterations. - iteration 667: trace = 2.429159869182738 (6.38306e-09% change) - linmin: converged after 4 iterations. - iteration 668: trace = 2.429159868933933 (1.02424e-08% change) + iteration 662: trace = 2.42915987347256 (2.40943e-08% change) linmin: converged after 11 iterations. - iteration 669: trace = 2.429159868515784 (1.72138e-08% change) - linmin: converged after 7 iterations. - iteration 670: trace = 2.429159868347849 (6.91326e-09% change) - large trace change predicted (1.93213e-08%) + iteration 663: trace = 2.429159872691814 (3.21406e-08% change) + linmin: converged after 17 iterations. + iteration 664: trace = 2.429159872573896 (4.85428e-09% change) + large trace change predicted (2.56467e-08%) linmin: converged after 7 iterations. - iteration 671: trace = 2.429159867878512 (1.9321e-08% change) - linmin: converged after 4 iterations. - iteration 672: trace = 2.429159867572521 (1.25966e-08% change) + iteration 665: trace = 2.42915987195091 (2.56461e-08% change) linmin: converged after 6 iterations. - iteration 673: trace = 2.429159867343999 (9.40745e-09% change) - linmin: converged after 4 iterations. - iteration 674: trace = 2.429159867301667 (1.74264e-09% change) - large trace change predicted (7.32213e-09%) - linmin: converged after 6 iterations. - iteration 675: trace = 2.429159867123798 (7.32224e-09% change) - linmin: converged after 11 iterations. - iteration 676: trace = 2.429159867035079 (3.65226e-09% change) + iteration 666: trace = 2.429159871600714 (1.44164e-08% change) linmin: converged after 8 iterations. - iteration 677: trace = 2.429159866976784 (2.39979e-09% change) - large trace change predicted (7.8274e-09%) - linmin: converged after 2 iterations. - iteration 678: trace = 2.429159866786645 (7.82736e-09% change) + iteration 667: trace = 2.429159871422806 (7.32386e-09% change) + linmin: converged after 20 iterations. + iteration 668: trace = 2.429159871179108 (1.00322e-08% change) linmin: converged after 4 iterations. - iteration 679: trace = 2.429159866748065 (1.58823e-09% change) - large trace change predicted (7.75396e-09%) + iteration 669: trace = 2.429159870709406 (1.9336e-08% change) + linmin: converged after 19 iterations. + iteration 670: trace = 2.429159870633217 (3.13643e-09% change) + large trace change predicted (1.51035e-08%) linmin: converged after 4 iterations. - iteration 680: trace = 2.429159866559707 (7.75405e-09% change) + iteration 671: trace = 2.429159870266331 (1.51034e-08% change) + linmin: converged after 23 iterations. + iteration 672: trace = 2.42915987008344 (7.52898e-09% change) + linmin: converged after 6 iterations. + iteration 673: trace = 2.429159869984634 (4.06749e-09% change) + large trace change predicted (8.95168e-09%) + linmin: converged after 21 iterations. + iteration 674: trace = 2.429159869767183 (8.95169e-09% change) + linmin: converged after 18 iterations. + iteration 675: trace = 2.429159869662957 (4.2906e-09% change) + linmin: converged after 22 iterations. + iteration 676: trace = 2.429159869590621 (2.97783e-09% change) + large trace change predicted (6.57636e-09%) linmin: converged after 4 iterations. - iteration 681: trace = 2.429159866448763 (4.56716e-09% change) + iteration 677: trace = 2.429159869430874 (6.57624e-09% change) + linmin: converged after 6 iterations. + iteration 678: trace = 2.429159869199899 (9.50844e-09% change) linmin: converged after 8 iterations. - iteration 682: trace = 2.429159866344309 (4.29998e-09% change) - large trace change predicted (9.80644e-09%) - linmin: converged after 24 iterations. - iteration 683: trace = 2.429159866106096 (9.80639e-09% change) + iteration 679: trace = 2.429159869097097 (4.23197e-09% change) + large trace change predicted (1.59699e-08%) linmin: converged after 4 iterations. - iteration 684: trace = 2.429159865737589 (1.51702e-08% change) + iteration 680: trace = 2.429159868709162 (1.59699e-08% change) + linmin: converged after 15 iterations. + iteration 681: trace = 2.429159868554474 (6.36796e-09% change) + linmin: converged after 6 iterations. + iteration 682: trace = 2.429159868313947 (9.90164e-09% change) + large trace change predicted (2.19267e-08%) + linmin: converged after 6 iterations. + iteration 683: trace = 2.429159867781312 (2.19267e-08% change) linmin: converged after 11 iterations. - iteration 685: trace = 2.429159865589282 (6.10529e-09% change) - large trace change predicted (1.8134e-08%) + iteration 684: trace = 2.429159867633258 (6.09486e-09% change) + large trace change predicted (1.89152e-08%) + linmin: converged after 6 iterations. + iteration 685: trace = 2.42915986717377 (1.89155e-08% change) + linmin: converged after 21 iterations. + iteration 686: trace = 2.429159866672281 (2.06445e-08% change) + linmin: converged after 13 iterations. + iteration 687: trace = 2.429159866548239 (5.10636e-09% change) + large trace change predicted (1.7524e-08%) + linmin: converged after 21 iterations. + iteration 688: trace = 2.429159866122556 (1.75239e-08% change) linmin: converged after 4 iterations. - iteration 686: trace = 2.429159865148775 (1.81341e-08% change) - linmin: converged after 9 iterations. - iteration 687: trace = 2.42915986461645 (2.1914e-08% change) - linmin: converged after 16 iterations. - iteration 688: trace = 2.42915986451461 (4.19241e-09% change) - large trace change predicted (1.29238e-08%) + iteration 689: trace = 2.429159866008182 (4.70837e-09% change) linmin: converged after 4 iterations. - iteration 689: trace = 2.429159864200666 (1.29239e-08% change) - linmin: converged after 6 iterations. - iteration 690: trace = 2.429159864046436 (6.34914e-09% change) + iteration 690: trace = 2.42915986584222 (6.83207e-09% change) linmin: converged after 7 iterations. - iteration 691: trace = 2.429159863975077 (2.93758e-09% change) - large trace change predicted (1.13727e-08%) - linmin: converged after 19 iterations. - iteration 692: trace = 2.429159863698817 (1.13727e-08% change) - linmin: converged after 14 iterations. - iteration 693: trace = 2.429159863467031 (9.54182e-09% change) - linmin: converged after 17 iterations. - iteration 694: trace = 2.42915986339394 (3.00889e-09% change) - large trace change predicted (9.0694e-09%) + iteration 691: trace = 2.429159865648184 (7.98781e-09% change) + linmin: converged after 4 iterations. + iteration 692: trace = 2.429159865369446 (1.14746e-08% change) linmin: converged after 6 iterations. - iteration 695: trace = 2.42915986317363 (9.06941e-09% change) - linmin: converged after 7 iterations. - iteration 696: trace = 2.429159863067169 (4.38261e-09% change) + iteration 693: trace = 2.429159865324265 (1.85997e-09% change) + large trace change predicted (9.58087e-09%) + linmin: converged after 6 iterations. + iteration 694: trace = 2.429159865091532 (9.58076e-09% change) linmin: converged after 4 iterations. - iteration 697: trace = 2.429159863000426 (2.74758e-09% change) + iteration 695: trace = 2.429159864904058 (7.71767e-09% change) linmin: converged after 7 iterations. - iteration 698: trace = 2.429159862869274 (5.39907e-09% change) + iteration 696: trace = 2.429159864842703 (2.52579e-09% change) + large trace change predicted (6.78985e-09%) + linmin: converged after 21 iterations. + iteration 697: trace = 2.429159864677759 (6.79013e-09% change) linmin: converged after 15 iterations. - iteration 699: trace = 2.429159862841849 (1.129e-09% change) + iteration 698: trace = 2.429159864562305 (4.75287e-09% change) + linmin: converged after 24 iterations. + iteration 699: trace = 2.429159864487087 (3.09645e-09% change) resetting CG direction... linmin: converged after 4 iterations. - iteration 700: trace = 2.429159862817324 (1.0096e-09% change) - large trace change predicted (4.41441e-09%) + iteration 700: trace = 2.429159864416977 (2.88621e-09% change) + linmin: converged after 2 iterations. + iteration 701: trace = 2.429159864321342 (3.93692e-09% change) linmin: converged after 4 iterations. - iteration 701: trace = 2.429159862710093 (4.41433e-09% change) - linmin: converged after 7 iterations. - iteration 702: trace = 2.429159862671657 (1.58229e-09% change) - large trace change predicted (3.42792e-09%) + iteration 702: trace = 2.429159864189872 (5.41218e-09% change) + linmin: converged after 6 iterations. + iteration 703: trace = 2.429159864126159 (2.62284e-09% change) + large trace change predicted (6.7154e-09%) + linmin: converged after 3 iterations. + iteration 704: trace = 2.429159863963024 (6.71569e-09% change) + linmin: converged after 6 iterations. + iteration 705: trace = 2.429159863828757 (5.52729e-09% change) + linmin: converged after 13 iterations. + iteration 706: trace = 2.42915986372211 (4.39029e-09% change) + large trace change predicted (1.03658e-08%) + linmin: converged after 20 iterations. + iteration 707: trace = 2.42915986347031 (1.03657e-08% change) + linmin: converged after 5 iterations. + iteration 708: trace = 2.429159863398873 (2.94083e-09% change) linmin: converged after 4 iterations. - iteration 703: trace = 2.429159862588381 (3.42817e-09% change) - large trace change predicted (7.0267e-09%) + iteration 709: trace = 2.429159863275815 (5.06587e-09% change) + linmin: converged after 17 iterations. + iteration 710: trace = 2.429159863113383 (6.68675e-09% change) linmin: converged after 5 iterations. - iteration 704: trace = 2.429159862417694 (7.02659e-09% change) - linmin: converged after 31 iterations. - iteration 705: trace = 2.429159862299705 (4.8572e-09% change) - linmin: converged after 21 iterations. - iteration 706: trace = 2.429159862217822 (3.37083e-09% change) - large trace change predicted (9.61264e-09%) + iteration 711: trace = 2.429159863016882 (3.97261e-09% change) + large trace change predicted (8.79145e-09%) linmin: converged after 7 iterations. - iteration 707: trace = 2.429159861984319 (9.6125e-09% change) - linmin: converged after 5 iterations. - iteration 708: trace = 2.429159861910836 (3.02504e-09% change) - large trace change predicted (6.39403e-09%) - linmin: converged after 5 iterations. - iteration 709: trace = 2.429159861755516 (6.39399e-09% change) - linmin: converged after 32 iterations. - iteration 710: trace = 2.429159861568509 (7.6984e-09% change) - linmin: converged after 5 iterations. - iteration 711: trace = 2.429159861446432 (5.0255e-09% change) - linmin: converged after 5 iterations. - iteration 712: trace = 2.4291598613165 (5.34883e-09% change) - large trace change predicted (1.40112e-08%) + iteration 712: trace = 2.429159862803321 (8.79157e-09% change) linmin: converged after 4 iterations. - iteration 713: trace = 2.429159860976155 (1.40108e-08% change) + iteration 713: trace = 2.42915986248136 (1.3254e-08% change) + linmin: converged after 16 iterations. + iteration 714: trace = 2.429159862385394 (3.95058e-09% change) + large trace change predicted (1.10127e-08%) linmin: converged after 4 iterations. - iteration 714: trace = 2.429159860905781 (2.89705e-09% change) - large trace change predicted (1.26274e-08%) - linmin: converged after 6 iterations. - iteration 715: trace = 2.429159860599047 (1.26271e-08% change) + iteration 715: trace = 2.42915986211788 (1.10126e-08% change) linmin: converged after 4 iterations. - iteration 716: trace = 2.42915986043266 (6.84958e-09% change) - linmin: converged after 9 iterations. - iteration 717: trace = 2.429159860391763 (1.68357e-09% change) - large trace change predicted (4.29243e-09%) - linmin: converged after 17 iterations. - iteration 718: trace = 2.429159860287493 (4.29246e-09% change) - linmin: converged after 8 iterations. - iteration 719: trace = 2.42915986019017 (4.00645e-09% change) - linmin: converged after 13 iterations. - iteration 720: trace = 2.429159860169502 (8.50807e-10% change) - large trace change predicted (2.70274e-09%) - linmin: converged after 16 iterations. - iteration 721: trace = 2.429159860103848 (2.70275e-09% change) - linmin: converged after 15 iterations. - iteration 722: trace = 2.429159860054798 (2.01922e-09% change) - linmin: converged after 7 iterations. - iteration 723: trace = 2.429159860031161 (9.73056e-10% change) - large trace change predicted (3.96993e-09%) - linmin: converged after 6 iterations. - iteration 724: trace = 2.429159859934724 (3.96996e-09% change) - linmin: converged after 15 iterations. - iteration 725: trace = 2.429159859900426 (1.41192e-09% change) - linmin: converged after 16 iterations. - iteration 726: trace = 2.429159859833863 (2.74017e-09% change) + iteration 716: trace = 2.429159861820968 (1.22228e-08% change) linmin: converged after 4 iterations. - iteration 727: trace = 2.429159859717016 (4.81018e-09% change) + iteration 717: trace = 2.429159861734203 (3.5718e-09% change) + large trace change predicted (8.02192e-09%) linmin: converged after 5 iterations. - iteration 728: trace = 2.429159859612486 (4.30312e-09% change) - linmin: converged after 4 iterations. - iteration 729: trace = 2.429159859518859 (3.85433e-09% change) + iteration 718: trace = 2.429159861539336 (8.022e-09% change) + linmin: converged after 7 iterations. + iteration 719: trace = 2.429159861351861 (7.71769e-09% change) linmin: converged after 4 iterations. - iteration 730: trace = 2.429159859344885 (7.16187e-09% change) - linmin: converged after 33 iterations. - iteration 731: trace = 2.429159859160336 (7.59725e-09% change) - linmin: converged after 14 iterations. - iteration 732: trace = 2.429159859108275 (2.14317e-09% change) - large trace change predicted (5.2769e-09%) + iteration 720: trace = 2.429159861319761 (1.32143e-09% change) + large trace change predicted (5.48491e-09%) + linmin: converged after 22 iterations. + iteration 721: trace = 2.429159861186527 (5.48479e-09% change) + linmin: converged after 23 iterations. + iteration 722: trace = 2.429159861122382 (2.64063e-09% change) linmin: converged after 4 iterations. - iteration 733: trace = 2.42915985898009 (5.27695e-09% change) + iteration 723: trace = 2.429159861083175 (1.61399e-09% change) + linmin: converged after 5 iterations. + iteration 724: trace = 2.429159861034111 (2.01979e-09% change) linmin: converged after 4 iterations. - iteration 734: trace = 2.429159858883916 (3.95912e-09% change) + iteration 725: trace = 2.429159860961507 (2.98888e-09% change) + linmin: converged after 3 iterations. + iteration 726: trace = 2.42915986091334 (1.98288e-09% change) + large trace change predicted (4.06624e-09%) + linmin: converged after 24 iterations. + iteration 727: trace = 2.429159860814567 (4.06612e-09% change) + linmin: converged after 20 iterations. + iteration 728: trace = 2.429159860732548 (3.37643e-09% change) + linmin: converged after 24 iterations. + iteration 729: trace = 2.429159860637365 (3.91837e-09% change) + linmin: converged after 26 iterations. + iteration 730: trace = 2.429159860463156 (7.17158e-09% change) + linmin: converged after 7 iterations. + iteration 731: trace = 2.42915986033496 (5.27737e-09% change) + linmin: converged after 5 iterations. + iteration 732: trace = 2.429159860270688 (2.64584e-09% change) linmin: converged after 19 iterations. - iteration 735: trace = 2.429159858817774 (2.72286e-09% change) - linmin: converged after 25 iterations. - iteration 736: trace = 2.429159858694342 (5.08124e-09% change) + iteration 733: trace = 2.429159860156251 (4.71097e-09% change) + linmin: converged after 16 iterations. + iteration 734: trace = 2.429159859950115 (8.48593e-09% change) + linmin: converged after 7 iterations. + iteration 735: trace = 2.42915985990522 (1.84816e-09% change) + large trace change predicted (1.01551e-08%) linmin: converged after 8 iterations. - iteration 737: trace = 2.429159858540137 (6.3481e-09% change) - linmin: converged after 19 iterations. - iteration 738: trace = 2.429159858509353 (1.26726e-09% change) - large trace change predicted (3.66781e-09%) + iteration 736: trace = 2.429159859658532 (1.01553e-08% change) + linmin: converged after 13 iterations. + iteration 737: trace = 2.429159859498829 (6.57441e-09% change) + linmin: converged after 6 iterations. + iteration 738: trace = 2.429159859441803 (2.34756e-09% change) + large trace change predicted (5.26738e-09%) linmin: converged after 19 iterations. - iteration 739: trace = 2.429159858420257 (3.66775e-09% change) - linmin: converged after 18 iterations. - iteration 740: trace = 2.429159858389306 (1.27417e-09% change) - linmin: converged after 15 iterations. - iteration 741: trace = 2.429159858356002 (1.37099e-09% change) - linmin: converged after 5 iterations. - iteration 742: trace = 2.42915985830757 (1.99377e-09% change) + iteration 739: trace = 2.429159859313852 (5.26731e-09% change) + linmin: converged after 4 iterations. + iteration 740: trace = 2.429159859233514 (3.30721e-09% change) + linmin: converged after 12 iterations. + iteration 741: trace = 2.429159859187292 (1.90282e-09% change) + linmin: converged after 10 iterations. + iteration 742: trace = 2.429159859107981 (3.26497e-09% change) + linmin: converged after 6 iterations. + iteration 743: trace = 2.429159859085128 (9.40771e-10% change) + large trace change predicted (3.22639e-09%) + linmin: converged after 25 iterations. + iteration 744: trace = 2.429159859006758 (3.22623e-09% change) + linmin: converged after 17 iterations. + iteration 745: trace = 2.429159858970122 (1.50816e-09% change) linmin: converged after 9 iterations. - iteration 743: trace = 2.429159858285608 (9.04098e-10% change) - linmin: converged after 16 iterations. - iteration 744: trace = 2.429159858267683 (7.37918e-10% change) - large trace change predicted (2.52462e-09%) + iteration 746: trace = 2.429159858945827 (1.00013e-09% change) + linmin: converged after 4 iterations. + iteration 747: trace = 2.429159858913238 (1.34159e-09% change) + large trace change predicted (3.23661e-09%) + linmin: converged after 13 iterations. + iteration 748: trace = 2.429159858834619 (3.23646e-09% change) + linmin: converged after 8 iterations. + iteration 749: trace = 2.429159858817632 (6.99271e-10% change) + large trace change predicted (3.86952e-09%) linmin: converged after 5 iterations. - iteration 745: trace = 2.429159858206351 (2.52483e-09% change) + iteration 750: trace = 2.429159858723635 (3.86954e-09% change) linmin: converged after 7 iterations. - iteration 746: trace = 2.42915985819415 (5.02269e-10% change) - large trace change predicted (4.06531e-09%) - linmin: converged after 16 iterations. - iteration 747: trace = 2.429159858095398 (4.06526e-09% change) - linmin: converged after 4 iterations. - iteration 748: trace = 2.429159858022407 (3.0048e-09% change) - large trace change predicted (6.3672e-09%) - linmin: converged after 9 iterations. - iteration 749: trace = 2.429159857867736 (6.36724e-09% change) - linmin: converged after 16 iterations. - iteration 750: trace = 2.429159857827281 (1.6654e-09% change) - large trace change predicted (6.23167e-09%) + iteration 751: trace = 2.42915985858117 (5.86481e-09% change) linmin: converged after 6 iterations. - iteration 751: trace = 2.429159857675906 (6.23157e-09% change) + iteration 752: trace = 2.42915985849293 (3.63252e-09% change) linmin: converged after 6 iterations. - iteration 752: trace = 2.429159857563191 (4.64011e-09% change) - linmin: converged after 6 iterations. - iteration 753: trace = 2.429159857502253 (2.50856e-09% change) - large trace change predicted (5.60543e-09%) - linmin: converged after 24 iterations. - iteration 754: trace = 2.429159857366087 (5.6055e-09% change) - linmin: converged after 6 iterations. - iteration 755: trace = 2.429159857333167 (1.35518e-09% change) - large trace change predicted (3.08164e-09%) - linmin: converged after 2 iterations. - iteration 756: trace = 2.429159857258312 (3.08155e-09% change) + iteration 753: trace = 2.429159858393264 (4.10288e-09% change) linmin: converged after 7 iterations. - iteration 757: trace = 2.429159857196233 (2.55557e-09% change) - linmin: converged after 18 iterations. - iteration 758: trace = 2.429159857139626 (2.3303e-09% change) - linmin: converged after 22 iterations. - iteration 759: trace = 2.429159857098365 (1.6986e-09% change) - linmin: converged after 16 iterations. - iteration 760: trace = 2.429159857034882 (2.61335e-09% change) - linmin: converged after 4 iterations. - iteration 761: trace = 2.429159857016957 (7.37918e-10% change) - linmin: converged after 4 iterations. - iteration 762: trace = 2.429159856987269 (1.22216e-09% change) - linmin: converged after 17 iterations. - iteration 763: trace = 2.429159856932958 (2.23578e-09% change) - linmin: converged after 4 iterations. - iteration 764: trace = 2.42915985691513 (7.33896e-10% change) - large trace change predicted (3.37889e-09%) - linmin: converged after 6 iterations. - iteration 765: trace = 2.429159856833055 (3.37875e-09% change) + iteration 754: trace = 2.429159858210382 (7.52862e-09% change) linmin: converged after 12 iterations. - iteration 766: trace = 2.429159856776765 (2.31725e-09% change) + iteration 755: trace = 2.42915985814765 (2.58246e-09% change) + large trace change predicted (6.88671e-09%) + linmin: converged after 4 iterations. + iteration 756: trace = 2.429159857980365 (6.88655e-09% change) linmin: converged after 7 iterations. - iteration 767: trace = 2.429159856742263 (1.42033e-09% change) - large trace change predicted (6.3265e-09%) - linmin: converged after 2 iterations. - iteration 768: trace = 2.429159856588583 (6.32649e-09% change) - linmin: converged after 5 iterations. - iteration 769: trace = 2.429159856521711 (2.75286e-09% change) - resetting CG direction... + iteration 757: trace = 2.429159857867015 (4.66623e-09% change) + linmin: converged after 24 iterations. + iteration 758: trace = 2.429159857832646 (1.41483e-09% change) + large trace change predicted (2.97414e-09%) linmin: converged after 6 iterations. - iteration 770: trace = 2.429159856465041 (2.33293e-09% change) + iteration 759: trace = 2.429159857760401 (2.97407e-09% change) linmin: converged after 5 iterations. - iteration 771: trace = 2.429159856358117 (4.40166e-09% change) - linmin: converged after 28 iterations. - iteration 772: trace = 2.429159856321537 (1.50587e-09% change) - linmin: converged after 29 iterations. - iteration 773: trace = 2.429159856298917 (9.31173e-10% change) - large trace change predicted (3.32488e-09%) - linmin: converged after 14 iterations. - iteration 774: trace = 2.42915985621815 (3.32493e-09% change) + iteration 760: trace = 2.429159857677827 (3.39928e-09% change) linmin: converged after 4 iterations. - iteration 775: trace = 2.429159856197543 (8.48284e-10% change) - large trace change predicted (2.18775e-09%) + iteration 761: trace = 2.429159857653575 (9.98376e-10% change) + large trace change predicted (4.00884e-09%) linmin: converged after 3 iterations. - iteration 776: trace = 2.429159856144396 (2.18789e-09% change) - linmin: converged after 4 iterations. - iteration 777: trace = 2.429159856113923 (1.25446e-09% change) - linmin: converged after 4 iterations. - iteration 778: trace = 2.429159856105955 (3.28008e-10% change) - large trace change predicted (1.34596e-09%) - linmin: converged after 6 iterations. - iteration 779: trace = 2.429159856073258 (1.34604e-09% change) - linmin: converged after 9 iterations. - iteration 780: trace = 2.429159856046637 (1.09591e-09% change) - linmin: converged after 3 iterations. - iteration 781: trace = 2.429159856034334 (5.06455e-10% change) - large trace change predicted (1.81928e-09%) - linmin: converged after 4 iterations. - iteration 782: trace = 2.429159855990141 (1.81926e-09% change) + iteration 762: trace = 2.429159857556194 (4.00883e-09% change) + linmin: converged after 11 iterations. + iteration 763: trace = 2.429159857512871 (1.78348e-09% change) linmin: converged after 19 iterations. - iteration 783: trace = 2.429159855942319 (1.96869e-09% change) + iteration 764: trace = 2.429159857490615 (9.16182e-10% change) + large trace change predicted (3.31016e-09%) linmin: converged after 4 iterations. - iteration 784: trace = 2.429159855917947 (1.00328e-09% change) - large trace change predicted (2.94489e-09%) + iteration 765: trace = 2.429159857410205 (3.31019e-09% change) + linmin: converged after 9 iterations. + iteration 766: trace = 2.429159857381782 (1.17008e-09% change) + linmin: converged after 20 iterations. + iteration 767: trace = 2.42915985736024 (8.86822e-10% change) + large trace change predicted (2.10556e-09%) + linmin: converged after 12 iterations. + iteration 768: trace = 2.429159857309088 (2.10573e-09% change) + large trace change predicted (9.85079e-09%) linmin: converged after 5 iterations. - iteration 785: trace = 2.429159855846413 (2.94484e-09% change) - linmin: converged after 17 iterations. - iteration 786: trace = 2.429159855807143 (1.61659e-09% change) - linmin: converged after 18 iterations. - iteration 787: trace = 2.429159855781426 (1.05871e-09% change) - large trace change predicted (4.05376e-09%) + iteration 769: trace = 2.429159857069801 (9.85064e-09% change) + resetting CG direction... + linmin: converged after 3 iterations. + iteration 770: trace = 2.42915985694428 (5.16724e-09% change) + linmin: converged after 2 iterations. + iteration 771: trace = 2.429159856858609 (3.52678e-09% change) + linmin: converged after 15 iterations. + iteration 772: trace = 2.429159856836828 (8.96657e-10% change) linmin: converged after 4 iterations. - iteration 788: trace = 2.429159855682951 (4.05385e-09% change) - linmin: converged after 18 iterations. - iteration 789: trace = 2.429159855659141 (9.80186e-10% change) - large trace change predicted (2.23559e-09%) - linmin: converged after 7 iterations. - iteration 790: trace = 2.429159855604836 (2.23555e-09% change) - linmin: converged after 17 iterations. - iteration 791: trace = 2.429159855555326 (2.03816e-09% change) + iteration 773: trace = 2.429159856807942 (1.18914e-09% change) + large trace change predicted (2.62456e-09%) linmin: converged after 4 iterations. - iteration 792: trace = 2.429159855544709 (4.3704e-10% change) - large trace change predicted (1.50107e-09%) - linmin: converged after 28 iterations. - iteration 793: trace = 2.429159855508243 (1.50118e-09% change) - linmin: converged after 17 iterations. - iteration 794: trace = 2.429159855487035 (8.73056e-10% change) + iteration 774: trace = 2.429159856744189 (2.62449e-09% change) + linmin: converged after 2 iterations. + iteration 775: trace = 2.429159856719683 (1.0088e-09% change) linmin: converged after 9 iterations. - iteration 795: trace = 2.429159855460267 (1.10194e-09% change) - linmin: converged after 10 iterations. - iteration 796: trace = 2.429159855457197 (1.26381e-10% change) - large trace change predicted (8.69335e-10%) - linmin: converged after 23 iterations. - iteration 797: trace = 2.429159855436085 (8.69125e-10% change) + iteration 776: trace = 2.429159856675443 (1.82121e-09% change) + linmin: converged after 8 iterations. + iteration 777: trace = 2.429159856639908 (1.46288e-09% change) + linmin: converged after 4 iterations. + iteration 778: trace = 2.429159856626434 (5.54664e-10% change) + large trace change predicted (2.71395e-09%) linmin: converged after 4 iterations. - iteration 798: trace = 2.429159855425723 (4.26583e-10% change) + iteration 779: trace = 2.429159856560508 (2.71394e-09% change) + linmin: converged after 6 iterations. + iteration 780: trace = 2.429159856534268 (1.0802e-09% change) linmin: converged after 11 iterations. - iteration 799: trace = 2.429159855418599 (2.93255e-10% change) - large trace change predicted (1.01055e-09%) - linmin: converged after 9 iterations. - iteration 800: trace = 2.429159855394055 (1.01037e-09% change) - linmin: converged after 23 iterations. - iteration 801: trace = 2.429159855354492 (1.62869e-09% change) + iteration 781: trace = 2.429159856509269 (1.02914e-09% change) + large trace change predicted (2.47725e-09%) linmin: converged after 4 iterations. - iteration 802: trace = 2.429159855339087 (6.3417e-10% change) - large trace change predicted (1.58762e-09%) - linmin: converged after 27 iterations. - iteration 803: trace = 2.429159855300523 (1.58756e-09% change) - linmin: converged after 26 iterations. - iteration 804: trace = 2.429159855239667 (2.5052e-09% change) + iteration 782: trace = 2.429159856449091 (2.4773e-09% change) + linmin: converged after 4 iterations. + iteration 783: trace = 2.429159856361919 (3.58859e-09% change) + linmin: converged after 4 iterations. + iteration 784: trace = 2.429159856316684 (1.86216e-09% change) + large trace change predicted (4.49285e-09%) + linmin: converged after 24 iterations. + iteration 785: trace = 2.429159856207545 (4.49287e-09% change) + linmin: converged after 6 iterations. + iteration 786: trace = 2.429159856153551 (2.22273e-09% change) + linmin: converged after 3 iterations. + iteration 787: trace = 2.429159856120588 (1.35699e-09% change) linmin: converged after 19 iterations. - iteration 805: trace = 2.429159855229303 (4.26674e-10% change) - large trace change predicted (1.60593e-09%) + iteration 788: trace = 2.42915985606167 (2.42542e-09% change) + linmin: converged after 19 iterations. + iteration 789: trace = 2.429159856031304 (1.25008e-09% change) + linmin: converged after 14 iterations. + iteration 790: trace = 2.429159855975798 (2.28498e-09% change) linmin: converged after 7 iterations. - iteration 806: trace = 2.429159855190296 (1.60578e-09% change) - linmin: converged after 9 iterations. - iteration 807: trace = 2.429159855164364 (1.06752e-09% change) + iteration 791: trace = 2.429159855928562 (1.94454e-09% change) + linmin: converged after 6 iterations. + iteration 792: trace = 2.429159855901423 (1.11721e-09% change) + linmin: converged after 3 iterations. + iteration 793: trace = 2.429159855889279 (4.99947e-10% change) linmin: converged after 4 iterations. - iteration 808: trace = 2.4291598551539 (4.30769e-10% change) - large trace change predicted (1.9215e-09%) - linmin: converged after 30 iterations. - iteration 809: trace = 2.429159855107222 (1.92156e-09% change) - linmin: converged after 25 iterations. - iteration 810: trace = 2.429159855072568 (1.42659e-09% change) - linmin: converged after 19 iterations. - iteration 811: trace = 2.429159855051487 (8.67827e-10% change) - linmin: converged after 5 iterations. - iteration 812: trace = 2.429159855019166 (1.33055e-09% change) + iteration 794: trace = 2.429159855875163 (5.81099e-10% change) linmin: converged after 4 iterations. - iteration 813: trace = 2.42915985500638 (5.26345e-10% change) - linmin: converged after 18 iterations. - iteration 814: trace = 2.429159854993845 (5.16035e-10% change) + iteration 795: trace = 2.429159855858726 (6.76638e-10% change) + linmin: converged after 12 iterations. + iteration 796: trace = 2.429159855851716 (2.88593e-10% change) + large trace change predicted (1.42185e-09%) + linmin: converged after 17 iterations. + iteration 797: trace = 2.429159855817175 (1.42192e-09% change) linmin: converged after 13 iterations. - iteration 815: trace = 2.429159854979437 (5.93128e-10% change) - linmin: converged after 3 iterations. - iteration 816: trace = 2.42915985497046 (3.69526e-10% change) - linmin: converged after 15 iterations. - iteration 817: trace = 2.429159854962464 (3.29178e-10% change) - large trace change predicted (6.97686e-10%) - linmin: converged after 3 iterations. - iteration 818: trace = 2.429159854945522 (6.97461e-10% change) - linmin: converged after 18 iterations. - iteration 819: trace = 2.429159854942891 (1.083e-10% change) - large trace change predicted (6.75402e-10%) + iteration 798: trace = 2.429159855810621 (2.698e-10% change) + large trace change predicted (1.22076e-09%) + linmin: converged after 7 iterations. + iteration 799: trace = 2.429159855780966 (1.22081e-09% change) linmin: converged after 3 iterations. - iteration 820: trace = 2.429159854926489 (6.75194e-10% change) - linmin: converged after 12 iterations. - iteration 821: trace = 2.429159854914258 (5.03512e-10% change) - linmin: converged after 18 iterations. - iteration 822: trace = 2.429159854909535 (1.94425e-10% change) - large trace change predicted (1.18364e-09%) - linmin: converged after 12 iterations. - iteration 823: trace = 2.429159854880787 (1.18348e-09% change) - linmin: converged after 12 iterations. - iteration 824: trace = 2.429159854858846 (9.03221e-10% change) - linmin: converged after 15 iterations. - iteration 825: trace = 2.429159854831322 (1.13306e-09% change) + iteration 800: trace = 2.429159855735601 (1.86752e-09% change) linmin: converged after 6 iterations. - iteration 826: trace = 2.429159854791128 (1.65465e-09% change) + iteration 801: trace = 2.429159855702688 (1.3549e-09% change) + linmin: converged after 25 iterations. + iteration 802: trace = 2.429159855660998 (1.71622e-09% change) + linmin: converged after 27 iterations. + iteration 803: trace = 2.429159855588314 (2.99217e-09% change) linmin: converged after 7 iterations. - iteration 827: trace = 2.429159854748298 (1.76317e-09% change) - linmin: converged after 4 iterations. - iteration 828: trace = 2.429159854717928 (1.25024e-09% change) - linmin: converged after 6 iterations. - iteration 829: trace = 2.429159854700446 (7.19655e-10% change) + iteration 804: trace = 2.42915985554744 (1.68264e-09% change) + linmin: converged after 14 iterations. + iteration 805: trace = 2.42915985551107 (1.49721e-09% change) linmin: converged after 21 iterations. - iteration 830: trace = 2.429159854684589 (6.52781e-10% change) + iteration 806: trace = 2.42915985546756 (1.79116e-09% change) + linmin: converged after 16 iterations. + iteration 807: trace = 2.429159855446752 (8.56584e-10% change) + linmin: converged after 18 iterations. + iteration 808: trace = 2.429159855425838 (8.6099e-10% change) + large trace change predicted (1.97445e-09%) + linmin: converged after 14 iterations. + iteration 809: trace = 2.42915985537788 (1.97423e-09% change) + linmin: converged after 16 iterations. + iteration 810: trace = 2.429159855357761 (8.28229e-10% change) + linmin: converged after 5 iterations. + iteration 811: trace = 2.42915985532602 (1.3067e-09% change) linmin: converged after 4 iterations. - iteration 831: trace = 2.429159854656265 (1.166e-09% change) - linmin: converged after 17 iterations. - iteration 832: trace = 2.429159854650829 (2.23803e-10% change) - large trace change predicted (1.01319e-09%) - linmin: converged after 7 iterations. - iteration 833: trace = 2.429159854626223 (1.01295e-09% change) + iteration 812: trace = 2.4291598553007 (1.04231e-09% change) linmin: converged after 4 iterations. - iteration 834: trace = 2.42915985460857 (7.26675e-10% change) - linmin: converged after 3 iterations. - iteration 835: trace = 2.429159854601671 (2.84041e-10% change) - linmin: converged after 14 iterations. - iteration 836: trace = 2.429159854589374 (5.06217e-10% change) + iteration 813: trace = 2.429159855293794 (2.84297e-10% change) + large trace change predicted (6.07079e-10%) + linmin: converged after 8 iterations. + iteration 814: trace = 2.429159855279044 (6.07205e-10% change) + linmin: converged after 12 iterations. + iteration 815: trace = 2.429159855260719 (7.54372e-10% change) linmin: converged after 3 iterations. - iteration 837: trace = 2.429159854584687 (1.92926e-10% change) - linmin: converged after 2 iterations. - iteration 838: trace = 2.429159854576523 (3.36107e-10% change) - linmin: converged after 16 iterations. - iteration 839: trace = 2.429159854568384 (3.35047e-10% change) - resetting CG direction... + iteration 816: trace = 2.4291598552532 (3.09544e-10% change) linmin: converged after 3 iterations. - iteration 840: trace = 2.42915985456455 (1.57825e-10% change) + iteration 817: trace = 2.429159855240745 (5.12744e-10% change) + large trace change predicted (1.05106e-09%) linmin: converged after 4 iterations. - iteration 841: trace = 2.429159854559047 (2.26546e-10% change) - linmin: converged after 3 iterations. - iteration 842: trace = 2.429159854550802 (3.39398e-10% change) + iteration 818: trace = 2.429159855215218 (1.05083e-09% change) + linmin: converged after 4 iterations. + iteration 819: trace = 2.429159855209669 (2.28447e-10% change) + large trace change predicted (1.2586e-09%) + linmin: converged after 4 iterations. + iteration 820: trace = 2.429159855179098 (1.25851e-09% change) + linmin: converged after 7 iterations. + iteration 821: trace = 2.429159855156939 (9.12197e-10% change) + linmin: converged after 12 iterations. + iteration 822: trace = 2.429159855136404 (8.45378e-10% change) linmin: converged after 19 iterations. - iteration 843: trace = 2.429159854547918 (1.18721e-10% change) - large trace change predicted (4.5065e-10%) - linmin: converged after 3 iterations. - iteration 844: trace = 2.429159854536973 (4.50605e-10% change) + iteration 823: trace = 2.429159855098951 (1.5418e-09% change) + linmin: converged after 26 iterations. + iteration 824: trace = 2.429159855047942 (2.09986e-09% change) + linmin: converged after 9 iterations. + iteration 825: trace = 2.42915985502515 (9.38285e-10% change) + large trace change predicted (2.12317e-09%) + linmin: converged after 5 iterations. + iteration 826: trace = 2.429159854973574 (2.12319e-09% change) + linmin: converged after 8 iterations. + iteration 827: trace = 2.429159854926445 (1.94012e-09% change) + linmin: converged after 7 iterations. + iteration 828: trace = 2.429159854916698 (4.01281e-10% change) + large trace change predicted (9.02718e-10%) + linmin: converged after 4 iterations. + iteration 829: trace = 2.429159854894769 (9.02727e-10% change) + linmin: converged after 15 iterations. + iteration 830: trace = 2.42915985488066 (5.80825e-10% change) + linmin: converged after 12 iterations. + iteration 831: trace = 2.429159854873093 (3.115e-10% change) + large trace change predicted (9.56828e-10%) + linmin: converged after 5 iterations. + iteration 832: trace = 2.429159854849849 (9.56859e-10% change) linmin: converged after 24 iterations. - iteration 845: trace = 2.429159854522967 (5.76547e-10% change) + iteration 833: trace = 2.429159854835808 (5.78028e-10% change) + linmin: converged after 16 iterations. + iteration 834: trace = 2.429159854817598 (7.49655e-10% change) linmin: converged after 6 iterations. - iteration 846: trace = 2.429159854517335 (2.31865e-10% change) - large trace change predicted (9.61058e-10%) - linmin: converged after 12 iterations. - iteration 847: trace = 2.429159854493989 (9.61064e-10% change) + iteration 835: trace = 2.429159854795332 (9.16621e-10% change) + linmin: converged after 9 iterations. + iteration 836: trace = 2.429159854783759 (4.76418e-10% change) + linmin: converged after 20 iterations. + iteration 837: trace = 2.429159854774899 (3.64736e-10% change) + linmin: converged after 13 iterations. + iteration 838: trace = 2.429159854761631 (5.46199e-10% change) + linmin: converged after 4 iterations. + iteration 839: trace = 2.429159854748293 (5.49069e-10% change) + resetting CG direction... + linmin: converged after 4 iterations. + iteration 840: trace = 2.429159854740324 (3.28045e-10% change) + linmin: converged after 16 iterations. + iteration 841: trace = 2.429159854724642 (6.45578e-10% change) + linmin: converged after 8 iterations. + iteration 842: trace = 2.429159854717802 (2.81573e-10% change) linmin: converged after 10 iterations. - iteration 848: trace = 2.42915985448577 (3.38338e-10% change) + iteration 843: trace = 2.429159854708646 (3.76912e-10% change) + large trace change predicted (8.24148e-10%) + linmin: converged after 5 iterations. + iteration 844: trace = 2.429159854688627 (8.24134e-10% change) + linmin: converged after 5 iterations. + iteration 845: trace = 2.429159854673693 (6.14774e-10% change) + linmin: converged after 4 iterations. + iteration 846: trace = 2.429159854661747 (4.91775e-10% change) + linmin: converged after 7 iterations. + iteration 847: trace = 2.42915985464623 (6.38777e-10% change) + linmin: converged after 13 iterations. + iteration 848: trace = 2.429159854641032 (2.13986e-10% change) + large trace change predicted (5.91128e-10%) linmin: converged after 6 iterations. - iteration 849: trace = 2.429159854473306 (5.1311e-10% change) + iteration 849: trace = 2.42915985462667 (5.91227e-10% change) + linmin: converged after 18 iterations. + iteration 850: trace = 2.429159854611562 (6.21958e-10% change) + linmin: converged after 15 iterations. + iteration 851: trace = 2.429159854602887 (3.57113e-10% change) + large trace change predicted (8.37161e-10%) + linmin: converged after 21 iterations. + iteration 852: trace = 2.429159854582549 (8.37261e-10% change) linmin: converged after 4 iterations. - iteration 850: trace = 2.429159854457098 (6.67223e-10% change) + iteration 853: trace = 2.429159854556544 (1.07053e-09% change) + linmin: converged after 24 iterations. + iteration 854: trace = 2.429159854541069 (6.37041e-10% change) + large trace change predicted (1.75923e-09%) linmin: converged after 4 iterations. - iteration 851: trace = 2.429159854447013 (4.15175e-10% change) - linmin: converged after 22 iterations. - iteration 852: trace = 2.429159854430041 (6.98668e-10% change) + iteration 855: trace = 2.429159854498333 (1.75927e-09% change) + linmin: converged after 21 iterations. + iteration 856: trace = 2.429159854488415 (4.08283e-10% change) linmin: converged after 4 iterations. - iteration 853: trace = 2.429159854401489 (1.17538e-09% change) + iteration 857: trace = 2.429159854468808 (8.07151e-10% change) + linmin: converged after 6 iterations. + iteration 858: trace = 2.429159854452192 (6.84043e-10% change) + linmin: converged after 6 iterations. + iteration 859: trace = 2.429159854448081 (1.69251e-10% change) + large trace change predicted (4.76617e-10%) + linmin: converged after 9 iterations. + iteration 860: trace = 2.429159854436498 (4.76821e-10% change) linmin: converged after 3 iterations. - iteration 854: trace = 2.429159854394316 (2.95321e-10% change) - large trace change predicted (1.01136e-09%) + iteration 861: trace = 2.429159854427034 (3.89599e-10% change) + linmin: converged after 6 iterations. + iteration 862: trace = 2.42915985442346 (1.4713e-10% change) + large trace change predicted (3.39303e-10%) linmin: converged after 4 iterations. - iteration 855: trace = 2.429159854369746 (1.01145e-09% change) - linmin: converged after 15 iterations. - iteration 856: trace = 2.429159854356542 (5.43548e-10% change) - linmin: converged after 11 iterations. - iteration 857: trace = 2.429159854344461 (4.97351e-10% change) - linmin: converged after 8 iterations. - iteration 858: trace = 2.429159854327901 (6.81702e-10% change) + iteration 863: trace = 2.429159854415223 (3.39087e-10% change) + linmin: converged after 21 iterations. + iteration 864: trace = 2.429159854406469 (3.60385e-10% change) linmin: converged after 6 iterations. - iteration 859: trace = 2.429159854322308 (2.30257e-10% change) + iteration 865: trace = 2.429159854402736 (1.53657e-10% change) + linmin: converged after 4 iterations. + iteration 866: trace = 2.429159854398476 (1.75375e-10% change) + large trace change predicted (5.56319e-10%) + linmin: converged after 4 iterations. + iteration 867: trace = 2.429159854384968 (5.56071e-10% change) + linmin: converged after 10 iterations. + iteration 868: trace = 2.429159854370754 (5.85139e-10% change) linmin: converged after 3 iterations. - iteration 860: trace = 2.429159854318657 (1.50275e-10% change) - linmin: converged after 9 iterations. - iteration 861: trace = 2.429159854311619 (2.89745e-10% change) - linmin: converged after 6 iterations. - iteration 862: trace = 2.429159854304627 (2.87825e-10% change) + iteration 869: trace = 2.429159854365211 (2.28173e-10% change) + large trace change predicted (4.73301e-10%) + linmin: converged after 4 iterations. + iteration 870: trace = 2.429159854353711 (4.7342e-10% change) + linmin: converged after 5 iterations. + iteration 871: trace = 2.429159854339208 (5.9704e-10% change) + linmin: converged after 8 iterations. + iteration 872: trace = 2.429159854329462 (4.01208e-10% change) + linmin: converged after 10 iterations. + iteration 873: trace = 2.429159854320862 (3.54023e-10% change) + linmin: converged after 4 iterations. + iteration 874: trace = 2.429159854304207 (6.85633e-10% change) + linmin: converged after 5 iterations. + iteration 875: trace = 2.429159854298122 (2.50513e-10% change) + large trace change predicted (8.60687e-10%) + linmin: converged after 4 iterations. + iteration 876: trace = 2.429159854277212 (8.60789e-10% change) + linmin: converged after 4 iterations. + iteration 877: trace = 2.429159854258224 (7.81666e-10% change) + linmin: converged after 5 iterations. + iteration 878: trace = 2.429159854251364 (2.82396e-10% change) linmin: converged after 18 iterations. - iteration 863: trace = 2.429159854303058 (6.45889e-11% change) -Finished solving for bands 1 to 10 after 863 iterations. + iteration 879: trace = 2.429159854240694 (4.39234e-10% change) + linmin: converged after 4 iterations. + iteration 880: trace = 2.429159854226659 (5.77772e-10% change) + linmin: converged after 5 iterations. + iteration 881: trace = 2.429159854224733 (7.92873e-11% change) +Finished solving for bands 1 to 10 after 881 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: 35.44437336921692 +elapsed time for k point: 58.77636361122131 solve_kpoint (0,0,0): Solving for bands 2 to 10... linmin: converged after 4 iterations. - iteration 1: trace = 2.433380124304858 (3.19205% change) - linmin: converged after 4 iterations. - iteration 2: trace = 2.422813957853151 (0.435162% change) - linmin: converged after 3 iterations. - iteration 3: trace = 2.410436460818315 (0.512181% change) - linmin: converged after 3 iterations. - iteration 4: trace = 2.404737472281081 (0.23671% change) - linmin: converged after 3 iterations. - iteration 5: trace = 2.402921431695999 (0.0755478% change) - linmin: converged after 3 iterations. - iteration 6: trace = 2.401560348970514 (0.0566589% change) + iteration 1: trace = 2.433379962950915 (3.19205% change) linmin: converged after 4 iterations. - iteration 7: trace = 2.401273601112772 (0.0119408% change) - large trace change predicted (0.0255597%) + iteration 2: trace = 2.42281374055451 (0.435165% change) linmin: converged after 4 iterations. - iteration 8: trace = 2.400660422396954 (0.0255388% change) - linmin: converged after 5 iterations. - iteration 9: trace = 2.400394211407274 (0.0110897% change) + iteration 3: trace = 2.410436147573897 (0.512185% change) linmin: converged after 4 iterations. - iteration 10: trace = 2.400303524499693 (0.00377807% change) - linmin: converged after 3 iterations. - iteration 11: trace = 2.400130152425029 (0.00722318% change) + iteration 4: trace = 2.404737122606046 (0.236711% change) linmin: converged after 3 iterations. - iteration 12: trace = 2.400008392599004 (0.00507318% change) + iteration 5: trace = 2.40292105989777 (0.0755487% change) + linmin: converged after 11 iterations. + iteration 6: trace = 2.401559973957696 (0.056659% change) linmin: converged after 4 iterations. - iteration 13: trace = 2.399912583051916 (0.00399213% change) - large trace change predicted (0.0102643%) + iteration 7: trace = 2.401273228176137 (0.0119407% change) + large trace change predicted (0.0255596%) linmin: converged after 4 iterations. - iteration 14: trace = 2.39966612549191 (0.01027% change) + iteration 8: trace = 2.400660052497758 (0.0255387% change) linmin: converged after 3 iterations. - iteration 15: trace = 2.39955686513503 (0.00455325% change) + iteration 9: trace = 2.400393846164911 (0.0110895% change) linmin: converged after 4 iterations. - iteration 16: trace = 2.39937188603231 (0.00770918% change) + iteration 10: trace = 2.400303162405957 (0.00377794% change) + linmin: converged after 3 iterations. + iteration 11: trace = 2.400129797366511 (0.00722289% change) + linmin: converged after 5 iterations. + iteration 12: trace = 2.400008054354392 (0.00507248% change) linmin: converged after 4 iterations. - iteration 17: trace = 2.399289072781011 (0.00345151% change) - large trace change predicted (0.00782297%) + iteration 13: trace = 2.399912238980892 (0.00399237% change) + large trace change predicted (0.0102624%) linmin: converged after 4 iterations. - iteration 18: trace = 2.399101348936375 (0.00782445% change) + iteration 14: trace = 2.399665827255431 (0.0102681% change) + linmin: converged after 3 iterations. + iteration 15: trace = 2.39955654301735 (0.00455425% change) linmin: converged after 4 iterations. - iteration 19: trace = 2.398879563092243 (0.00924497% change) + iteration 16: trace = 2.399371589577745 (0.00770811% change) linmin: converged after 5 iterations. - iteration 20: trace = 2.398649870205137 (0.00957547% change) - large trace change predicted (0.0239454%) + iteration 17: trace = 2.399288788824445 (0.00345099% change) + large trace change predicted (0.0078233%) linmin: converged after 4 iterations. - iteration 21: trace = 2.398075268259338 (0.0239581% change) - linmin: converged after 5 iterations. - iteration 22: trace = 2.397887110182702 (0.00784652% change) + iteration 18: trace = 2.399101057150406 (0.00782478% change) linmin: converged after 4 iterations. - iteration 23: trace = 2.397522294775239 (0.0152152% change) + iteration 19: trace = 2.398879373380808 (0.00924071% change) linmin: converged after 3 iterations. - iteration 24: trace = 2.397281812088585 (0.010031% change) + iteration 20: trace = 2.398649605640892 (0.00957859% change) + large trace change predicted (0.0239399%) linmin: converged after 4 iterations. - iteration 25: trace = 2.396981261499935 (0.0125379% change) + iteration 21: trace = 2.398075135250209 (0.0239526% change) linmin: converged after 4 iterations. - iteration 26: trace = 2.396715626520207 (0.0110827% change) + iteration 22: trace = 2.397886944880034 (0.00784787% change) linmin: converged after 4 iterations. - iteration 27: trace = 2.396618613907926 (0.00404781% change) - large trace change predicted (0.0090078%) + iteration 23: trace = 2.397522136682749 (0.0152149% change) linmin: converged after 3 iterations. - iteration 28: trace = 2.396402847978432 (0.00900334% change) - linmin: converged after 5 iterations. - iteration 29: trace = 2.396349175741548 (0.00223973% change) + iteration 24: trace = 2.397281777065334 (0.0100258% change) linmin: converged after 4 iterations. - iteration 30: trace = 2.396256438116035 (0.00387003% change) - linmin: converged after 3 iterations. - iteration 31: trace = 2.396207645812547 (0.00203621% change) - linmin: converged after 3 iterations. - iteration 32: trace = 2.396167649113405 (0.00166918% change) - large trace change predicted (0.00396802%) - linmin: converged after 3 iterations. - iteration 33: trace = 2.396072575763294 (0.0039678% change) - linmin: converged after 14 iterations. - iteration 34: trace = 2.396038774671857 (0.0014107% change) - large trace change predicted (0.00652603%) - linmin: converged after 12 iterations. - iteration 35: trace = 2.395882463430421 (0.00652395% change) + iteration 25: trace = 2.396981102709362 (0.0125431% change) linmin: converged after 4 iterations. - iteration 36: trace = 2.395832662700395 (0.00207862% change) - large trace change predicted (0.00897499%) + iteration 26: trace = 2.396715619831602 (0.0110763% change) + linmin: converged after 6 iterations. + iteration 27: trace = 2.396618476688053 (0.00405326% change) + large trace change predicted (0.00900746%) + linmin: converged after 6 iterations. + iteration 28: trace = 2.396402718908486 (0.009003% change) + linmin: converged after 11 iterations. + iteration 29: trace = 2.396349083182481 (0.0022382% change) linmin: converged after 4 iterations. - iteration 37: trace = 2.39561764812327 (0.00897493% change) + iteration 30: trace = 2.396256310387131 (0.0038715% change) + linmin: converged after 11 iterations. + iteration 31: trace = 2.396207562341123 (0.00203436% change) + linmin: converged after 3 iterations. + iteration 32: trace = 2.396167529387248 (0.00167069% change) + large trace change predicted (0.0039657%) + linmin: converged after 12 iterations. + iteration 33: trace = 2.39607251145608 (0.00396549% change) linmin: converged after 4 iterations. - iteration 38: trace = 2.395533905922083 (0.0034957% change) - large trace change predicted (0.00705095%) + iteration 34: trace = 2.396038675374276 (0.00141216% change) + large trace change predicted (0.00652314%) + linmin: converged after 12 iterations. + iteration 35: trace = 2.395882433253605 (0.00652106% change) linmin: converged after 4 iterations. - iteration 39: trace = 2.39536495615372 (0.00705295% change) + iteration 36: trace = 2.395832630650658 (0.0020787% change) + large trace change predicted (0.008973%) + linmin: converged after 11 iterations. + iteration 37: trace = 2.395617663369807 (0.00897295% change) linmin: converged after 4 iterations. - iteration 40: trace = 2.395255837403923 (0.00455552% change) - linmin: converged after 5 iterations. - iteration 41: trace = 2.395086666506282 (0.007063% change) - linmin: converged after 7 iterations. - iteration 42: trace = 2.395028266342813 (0.00243836% change) - large trace change predicted (0.00633162%) + iteration 38: trace = 2.395534018600765 (0.00349164% change) + large trace change predicted (0.0070563%) linmin: converged after 4 iterations. - iteration 43: trace = 2.394876564762501 (0.00633422% change) - linmin: converged after 5 iterations. - iteration 44: trace = 2.394823822640608 (0.00220231% change) - large trace change predicted (0.00784706%) + iteration 39: trace = 2.395364940777812 (0.00705829% change) linmin: converged after 4 iterations. - iteration 45: trace = 2.39463588748624 (0.00784786% change) + iteration 40: trace = 2.395256143962109 (0.00454208% change) linmin: converged after 4 iterations. - iteration 46: trace = 2.394551771201341 (0.00351276% change) - large trace change predicted (0.00730796%) + iteration 41: trace = 2.395086648427609 (0.00707655% change) + linmin: converged after 7 iterations. + iteration 42: trace = 2.395028450316826 (0.00242993% change) + large trace change predicted (0.00633768%) linmin: converged after 4 iterations. - iteration 47: trace = 2.394376648056848 (0.00731367% change) + iteration 43: trace = 2.39487660346304 (0.00634029% change) linmin: converged after 3 iterations. - iteration 48: trace = 2.394320482220912 (0.00234577% change) - large trace change predicted (0.00692652%) - linmin: converged after 4 iterations. - iteration 49: trace = 2.394154609450363 (0.006928% change) + iteration 44: trace = 2.394823987353609 (0.00219705% change) + large trace change predicted (0.00784449%) linmin: converged after 4 iterations. - iteration 50: trace = 2.394120835153223 (0.00141071% change) + iteration 45: trace = 2.394636113944655 (0.00784529% change) linmin: converged after 4 iterations. - iteration 51: trace = 2.394082495560068 (0.00160142% change) + iteration 46: trace = 2.394552074795355 (0.00350954% change) + large trace change predicted (0.00731228%) linmin: converged after 4 iterations. - iteration 52: trace = 2.394061913868271 (0.000859694% change) + iteration 47: trace = 2.394376847557645 (0.00731801% change) linmin: converged after 3 iterations. - iteration 53: trace = 2.394035881744374 (0.00108737% change) + iteration 48: trace = 2.394320683486882 (0.00234569% change) + large trace change predicted (0.00691877%) linmin: converged after 4 iterations. - iteration 54: trace = 2.394025507486848 (0.000433339% change) - large trace change predicted (0.0010626%) + iteration 49: trace = 2.394154996419608 (0.00692024% change) linmin: converged after 4 iterations. - iteration 55: trace = 2.394000059486189 (0.00106299% change) + iteration 50: trace = 2.394120846662895 (0.00142639% change) + linmin: converged after 4 iterations. + iteration 51: trace = 2.394082718962517 (0.00159257% change) linmin: converged after 5 iterations. - iteration 56: trace = 2.393990088808856 (0.000416487% change) - large trace change predicted (0.00146991%) + iteration 52: trace = 2.394061932438548 (0.00086825% change) linmin: converged after 3 iterations. - iteration 57: trace = 2.393954902035357 (0.00146981% change) + iteration 53: trace = 2.394036013680046 (0.00108263% change) linmin: converged after 4 iterations. - iteration 58: trace = 2.393941205589446 (0.000572128% change) - large trace change predicted (0.00230758%) + iteration 54: trace = 2.39402551651442 (0.000438472% change) + large trace change predicted (0.00105792%) linmin: converged after 4 iterations. - iteration 59: trace = 2.393885961363607 (0.0023077% change) - linmin: converged after 7 iterations. - iteration 60: trace = 2.393857234377875 (0.00120002% change) - large trace change predicted (0.0035278%) - linmin: converged after 8 iterations. - iteration 61: trace = 2.393772843716319 (0.00352536% change) + iteration 55: trace = 2.394000180490462 (0.00105831% change) + linmin: converged after 3 iterations. + iteration 56: trace = 2.393990135027428 (0.000419611% change) + large trace change predicted (0.00146684%) linmin: converged after 4 iterations. - iteration 62: trace = 2.393670914591524 (0.00425819% change) + iteration 57: trace = 2.393955021696373 (0.00146674% change) linmin: converged after 4 iterations. - iteration 63: trace = 2.393605496480592 (0.002733% change) + iteration 58: trace = 2.393941425111161 (0.000567957% change) + large trace change predicted (0.00231013%) linmin: converged after 4 iterations. - iteration 64: trace = 2.393487963094304 (0.00491043% change) + iteration 59: trace = 2.393886119527181 (0.00231026% change) + linmin: converged after 5 iterations. + iteration 60: trace = 2.393858103946107 (0.0011703% change) + large trace change predicted (0.00355152%) linmin: converged after 4 iterations. - iteration 65: trace = 2.393448290672057 (0.00165753% change) + iteration 61: trace = 2.393773147674075 (0.00354899% change) linmin: converged after 3 iterations. - iteration 66: trace = 2.393405497798788 (0.00178793% change) + iteration 62: trace = 2.393673377125152 (0.00416801% change) linmin: converged after 4 iterations. - iteration 67: trace = 2.393388072851804 (0.000728043% change) + iteration 63: trace = 2.393605639390473 (0.00282991% change) linmin: converged after 4 iterations. - iteration 68: trace = 2.393359854223333 (0.00117903% change) + iteration 64: trace = 2.393490128256957 (0.00482594% change) + linmin: converged after 7 iterations. + iteration 65: trace = 2.393448392628262 (0.00174373% change) + linmin: converged after 3 iterations. + iteration 66: trace = 2.393405863406235 (0.00177692% change) linmin: converged after 4 iterations. - iteration 69: trace = 2.393348483527521 (0.000475095% change) - resetting CG direction... + iteration 67: trace = 2.393388658191556 (0.000718862% change) linmin: converged after 4 iterations. - iteration 70: trace = 2.393343837015129 (0.000194143% change) + iteration 68: trace = 2.393359871654385 (0.00120276% change) linmin: converged after 7 iterations. - iteration 71: trace = 2.393336363523268 (0.000312262% change) + iteration 69: trace = 2.393348828885064 (0.000461393% change) + resetting CG direction... linmin: converged after 4 iterations. - iteration 72: trace = 2.393333598170835 (0.000115544% change) + iteration 70: trace = 2.393344100576535 (0.000197561% change) linmin: converged after 3 iterations. - iteration 73: trace = 2.393329150054836 (0.000185855% change) - large trace change predicted (0.000414728%) + iteration 71: trace = 2.393336596740685 (0.00031353% change) linmin: converged after 4 iterations. - iteration 74: trace = 2.39331922399139 (0.00041474% change) + iteration 72: trace = 2.393333800396387 (0.000116839% change) linmin: converged after 5 iterations. - iteration 75: trace = 2.39331596569077 (0.000136142% change) - large trace change predicted (0.000439215%) + iteration 73: trace = 2.393329442787024 (0.000182073% change) + large trace change predicted (0.000417422%) + linmin: converged after 4 iterations. + iteration 74: trace = 2.393319452333099 (0.00041743% change) + linmin: converged after 4 iterations. + iteration 75: trace = 2.39331630221708 (0.000131621% change) + large trace change predicted (0.000447815%) linmin: converged after 2 iterations. - iteration 76: trace = 2.393305453764279 (0.000439221% change) - linmin: converged after 6 iterations. - iteration 77: trace = 2.393296687312429 (0.000366291% change) + iteration 76: trace = 2.393305584449844 (0.000447822% change) + linmin: converged after 5 iterations. + iteration 77: trace = 2.393297859859642 (0.000322759% change) linmin: converged after 4 iterations. - iteration 78: trace = 2.39329144496132 (0.000219043% change) + iteration 78: trace = 2.393291913009082 (0.00024848% change) linmin: converged after 4 iterations. - iteration 79: trace = 2.393281124540538 (0.000431224% change) + iteration 79: trace = 2.393281853121742 (0.000420338% change) linmin: converged after 3 iterations. - iteration 80: trace = 2.393276815440569 (0.00018005% change) - large trace change predicted (0.000404501%) + iteration 80: trace = 2.393277505413062 (0.000181663% change) + large trace change predicted (0.000403444%) linmin: converged after 4 iterations. - iteration 81: trace = 2.393267130640572 (0.000404668% change) + iteration 81: trace = 2.393267847030247 (0.000403564% change) linmin: converged after 4 iterations. - iteration 82: trace = 2.393257359773369 (0.000408266% change) - large trace change predicted (0.000854188%) + iteration 82: trace = 2.393258006399207 (0.000411181% change) + large trace change predicted (0.000871989%) + linmin: converged after 3 iterations. + iteration 83: trace = 2.393237139066932 (0.000871925% change) linmin: converged after 4 iterations. - iteration 83: trace = 2.3932369192801 (0.00085409% change) - linmin: converged after 5 iterations. - iteration 84: trace = 2.393229557837127 (0.000307594% change) - large trace change predicted (0.00100509%) + iteration 84: trace = 2.39322950624258 (0.000318934% change) + large trace change predicted (0.00102116%) linmin: converged after 4 iterations. - iteration 85: trace = 2.393205497878049 (0.00100534% change) - linmin: converged after 6 iterations. - iteration 86: trace = 2.39319866014741 (0.000285715% change) - large trace change predicted (0.000600605%) - linmin: converged after 7 iterations. - iteration 87: trace = 2.393184288761997 (0.000600511% change) - linmin: converged after 5 iterations. - iteration 88: trace = 2.393180115500064 (0.000174381% change) + iteration 85: trace = 2.393205062014581 (0.0010214% change) linmin: converged after 4 iterations. - iteration 89: trace = 2.393172859481532 (0.000303196% change) + iteration 86: trace = 2.393197757155329 (0.000305234% change) linmin: converged after 4 iterations. - iteration 90: trace = 2.393169669565756 (0.000133292% change) - linmin: converged after 3 iterations. - iteration 91: trace = 2.393167343778703 (9.71844e-05% change) + iteration 87: trace = 2.393184149881385 (0.000568583% change) + linmin: converged after 4 iterations. + iteration 88: trace = 2.393180100063931 (0.000169223% change) + large trace change predicted (0.000348112%) linmin: converged after 4 iterations. - iteration 92: trace = 2.393163700408488 (0.000152241% change) + iteration 89: trace = 2.393171768459271 (0.00034814% change) + linmin: converged after 8 iterations. + iteration 90: trace = 2.393169316724928 (0.000102447% change) + linmin: converged after 3 iterations. + iteration 91: trace = 2.393166430267462 (0.000120612% change) linmin: converged after 4 iterations. - iteration 93: trace = 2.393162870254576 (3.46886e-05% change) + iteration 92: trace = 2.393163362634767 (0.000128183% change) linmin: converged after 4 iterations. - iteration 94: trace = 2.393161240938619 (6.80821e-05% change) + iteration 93: trace = 2.393162550846749 (3.39211e-05% change) + large trace change predicted (8.74729e-05%) linmin: converged after 4 iterations. - iteration 95: trace = 2.393159489493315 (7.31855e-05% change) + iteration 94: trace = 2.393160457405306 (8.7476e-05% change) linmin: converged after 3 iterations. - iteration 96: trace = 2.393158673817102 (3.40837e-05% change) - large trace change predicted (8.56565e-05%) + iteration 95: trace = 2.393159317529391 (4.76306e-05% change) linmin: converged after 4 iterations. - iteration 97: trace = 2.393156623982363 (8.5654e-05% change) - linmin: converged after 5 iterations. - iteration 98: trace = 2.393155251294039 (5.73589e-05% change) + iteration 96: trace = 2.393157932576297 (5.78713e-05% change) linmin: converged after 4 iterations. - iteration 99: trace = 2.393154249135244 (4.18761e-05% change) - large trace change predicted (0.000112009%) + iteration 97: trace = 2.393155633368986 (9.60742e-05% change) linmin: converged after 4 iterations. - iteration 100: trace = 2.393151568307313 (0.000112021% change) - linmin: converged after 3 iterations. - iteration 101: trace = 2.393149956347883 (6.73572e-05% change) + iteration 98: trace = 2.393154729443817 (3.77713e-05% change) + large trace change predicted (9.9157e-05%) + linmin: converged after 4 iterations. + iteration 99: trace = 2.39315235638604 (9.91603e-05% change) linmin: converged after 3 iterations. - iteration 102: trace = 2.393149015277626 (3.93235e-05% change) - large trace change predicted (0.000107678%) - linmin: converged after 5 iterations. - iteration 103: trace = 2.393146438660454 (0.000107666% change) + iteration 100: trace = 2.393150086759638 (9.48384e-05% change) linmin: converged after 3 iterations. - iteration 104: trace = 2.393144081994803 (9.84757e-05% change) - linmin: converged after 5 iterations. - iteration 105: trace = 2.39314308725204 (4.15664e-05% change) - linmin: converged after 5 iterations. - iteration 106: trace = 2.39314123328104 (7.74702e-05% change) + iteration 101: trace = 2.393149029545529 (4.41767e-05% change) + large trace change predicted (0.000129923%) linmin: converged after 4 iterations. - iteration 107: trace = 2.393138508263703 (0.000113868% change) + iteration 102: trace = 2.39314592014335 (0.000129929% change) + linmin: converged after 8 iterations. + iteration 103: trace = 2.393143807194253 (8.82917e-05% change) linmin: converged after 3 iterations. - iteration 108: trace = 2.393137240529313 (5.29737e-05% change) - linmin: converged after 4 iterations. - iteration 109: trace = 2.393135806331574 (5.99296e-05% change) - large trace change predicted (0.000129686%) + iteration 104: trace = 2.39314254865537 (5.25894e-05% change) + large trace change predicted (0.000138302%) linmin: converged after 3 iterations. - iteration 110: trace = 2.393132703114377 (0.000129672% change) - linmin: converged after 4 iterations. - iteration 111: trace = 2.393130663063717 (8.52461e-05% change) - linmin: converged after 2 iterations. - iteration 112: trace = 2.393129702053291 (4.0157e-05% change) - linmin: converged after 6 iterations. - iteration 113: trace = 2.393127897284498 (7.54146e-05% change) - linmin: converged after 2 iterations. - iteration 114: trace = 2.393124696485005 (0.00013375% change) + iteration 105: trace = 2.393139238979618 (0.000138298% change) linmin: converged after 4 iterations. - iteration 115: trace = 2.393122847811564 (7.72494e-05% change) - linmin: converged after 2 iterations. - iteration 116: trace = 2.393121444970771 (5.86197e-05% change) - large trace change predicted (0.000135312%) + iteration 106: trace = 2.393137397053438 (7.6967e-05% change) linmin: converged after 4 iterations. - iteration 117: trace = 2.393118206905052 (0.000135307% change) + iteration 107: trace = 2.393135499231891 (7.93027e-05% change) + large trace change predicted (0.000159698%) linmin: converged after 4 iterations. - iteration 118: trace = 2.393114161332663 (0.00016905% change) - linmin: converged after 6 iterations. - iteration 119: trace = 2.393112369885688 (7.48584e-05% change) + iteration 108: trace = 2.393131677021132 (0.000159716% change) linmin: converged after 3 iterations. - iteration 120: trace = 2.393110881531944 (6.21932e-05% change) - large trace change predicted (0.000132911%) + iteration 109: trace = 2.393130223842037 (6.07229e-05% change) linmin: converged after 4 iterations. - iteration 121: trace = 2.393107700593636 (0.000132921% change) + iteration 110: trace = 2.393128154834842 (8.64561e-05% change) linmin: converged after 4 iterations. - iteration 122: trace = 2.393104608047903 (0.000129227% change) + iteration 111: trace = 2.393124029213752 (0.000172395% change) + linmin: converged after 4 iterations. + iteration 112: trace = 2.393122258584846 (7.39882e-05% change) + linmin: converged after 4 iterations. + iteration 113: trace = 2.393118807484326 (0.000144209% change) + linmin: converged after 4 iterations. + iteration 114: trace = 2.393113639516228 (0.000215951% change) linmin: converged after 5 iterations. - iteration 123: trace = 2.393103244517627 (5.69775e-05% change) + iteration 115: trace = 2.393111806192884 (7.66083e-05% change) linmin: converged after 4 iterations. - iteration 124: trace = 2.393101749584581 (6.24684e-05% change) + iteration 116: trace = 2.393108174128582 (0.000151772% change) linmin: converged after 3 iterations. - iteration 125: trace = 2.39309881874507 (0.00012247% change) + iteration 117: trace = 2.393104502395257 (0.00015343% change) linmin: converged after 4 iterations. - iteration 126: trace = 2.393096741782611 (8.67897e-05% change) + iteration 118: trace = 2.393102931472483 (6.56437e-05% change) + large trace change predicted (0.000156278%) linmin: converged after 4 iterations. - iteration 127: trace = 2.393095822111325 (3.84302e-05% change) + iteration 119: trace = 2.393099191237918 (0.000156292% change) linmin: converged after 3 iterations. - iteration 128: trace = 2.39309447002076 (5.64997e-05% change) - linmin: converged after 4 iterations. - iteration 129: trace = 2.393092157224396 (9.66446e-05% change) + iteration 120: trace = 2.393096808452911 (9.95691e-05% change) + linmin: converged after 3 iterations. + iteration 121: trace = 2.393095578043536 (5.1415e-05% change) + large trace change predicted (0.000127291%) + linmin: converged after 14 iterations. + iteration 122: trace = 2.39309253223452 (0.000127275% change) linmin: converged after 4 iterations. - iteration 130: trace = 2.393090972916624 (4.94886e-05% change) + iteration 123: trace = 2.393091118342181 (5.90822e-05% change) linmin: converged after 5 iterations. - iteration 131: trace = 2.393090426793293 (2.28208e-05% change) - linmin: converged after 5 iterations. - iteration 132: trace = 2.393089501967232 (3.86457e-05% change) - linmin: converged after 3 iterations. - iteration 133: trace = 2.393088413822471 (4.54703e-05% change) + iteration 124: trace = 2.393090291995583 (3.45305e-05% change) + linmin: converged after 4 iterations. + iteration 125: trace = 2.393088659815946 (6.82039e-05% change) linmin: converged after 3 iterations. - iteration 134: trace = 2.393088020957876 (1.64166e-05% change) + iteration 126: trace = 2.393088099907127 (2.33969e-05% change) + linmin: converged after 10 iterations. + iteration 127: trace = 2.393087745450202 (1.48117e-05% change) linmin: converged after 4 iterations. - iteration 135: trace = 2.393087780942407 (1.00295e-05% change) + iteration 128: trace = 2.39308718180813 (2.35529e-05% change) linmin: converged after 2 iterations. - iteration 136: trace = 2.393087334153206 (1.867e-05% change) + iteration 129: trace = 2.393086948585211 (9.74569e-06% change) linmin: converged after 2 iterations. - iteration 137: trace = 2.39308697399356 (1.505e-05% change) + iteration 130: trace = 2.393086510769145 (1.8295e-05% change) linmin: converged after 2 iterations. - iteration 138: trace = 2.393086796042441 (7.43605e-06% change) - linmin: converged after 2 iterations. - iteration 139: trace = 2.39308644358759 (1.4728e-05% change) - resetting CG direction... + iteration 131: trace = 2.393085842632198 (2.79195e-05% change) linmin: converged after 3 iterations. - iteration 140: trace = 2.393085964419358 (2.0023e-05% change) - linmin: converged after 5 iterations. - iteration 141: trace = 2.39308558578386 (1.58221e-05% change) - large trace change predicted (3.70996e-05%) - linmin: converged after 2 iterations. - iteration 142: trace = 2.393084697946854 (3.71001e-05% change) - linmin: converged after 4 iterations. - iteration 143: trace = 2.393083967712773 (3.05143e-05% change) - large trace change predicted (9.09158e-05%) - linmin: converged after 2 iterations. - iteration 144: trace = 2.393081791888724 (9.09214e-05% change) + iteration 132: trace = 2.393085625952891 (9.05439e-06% change) + large trace change predicted (2.53523e-05%) + linmin: converged after 26 iterations. + iteration 133: trace = 2.393085019265047 (2.53517e-05% change) + linmin: converged after 3 iterations. + iteration 134: trace = 2.393083808829984 (5.05805e-05% change) + linmin: converged after 7 iterations. + iteration 135: trace = 2.393083098697126 (2.96744e-05% change) + large trace change predicted (8.43237e-05%) + linmin: converged after 3 iterations. + iteration 136: trace = 2.393081080357151 (8.43406e-05% change) linmin: converged after 4 iterations. - iteration 145: trace = 2.393081047511928 (3.11054e-05% change) - large trace change predicted (9.54116e-05%) + iteration 137: trace = 2.393079628355871 (6.0675e-05% change) + linmin: converged after 5 iterations. + iteration 138: trace = 2.393078108684154 (6.35028e-05% change) + large trace change predicted (0.000149487%) + linmin: converged after 3 iterations. + iteration 139: trace = 2.393074531744403 (0.00014947% change) + resetting CG direction... + linmin: converged after 3 iterations. + iteration 140: trace = 2.393073252937938 (5.34378e-05% change) linmin: converged after 2 iterations. - iteration 146: trace = 2.393078764001862 (9.54214e-05% change) - linmin: converged after 4 iterations. - iteration 147: trace = 2.393076685508733 (8.68544e-05% change) - linmin: converged after 4 iterations. - iteration 148: trace = 2.393075978680122 (2.95364e-05% change) - large trace change predicted (7.78024e-05%) + iteration 141: trace = 2.393071690408017 (6.52939e-05% change) linmin: converged after 3 iterations. - iteration 149: trace = 2.393074116903839 (7.77985e-05% change) + iteration 142: trace = 2.393070571980464 (4.67361e-05% change) + linmin: converged after 15 iterations. + iteration 143: trace = 2.393070139603906 (1.80679e-05% change) linmin: converged after 4 iterations. - iteration 150: trace = 2.393073006262979 (4.64106e-05% change) + iteration 144: trace = 2.393069307945828 (3.47528e-05% change) + linmin: converged after 3 iterations. + iteration 145: trace = 2.393069089659313 (9.12161e-06% change) + large trace change predicted (2.00317e-05%) linmin: converged after 3 iterations. - iteration 151: trace = 2.393072409379019 (2.49422e-05% change) - large trace change predicted (6.27636e-05%) + iteration 146: trace = 2.393068610290329 (2.00316e-05% change) linmin: converged after 2 iterations. - iteration 152: trace = 2.393070907251873 (6.27698e-05% change) + iteration 147: trace = 2.393068282350345 (1.37037e-05% change) linmin: converged after 3 iterations. - iteration 153: trace = 2.393070514675967 (1.64047e-05% change) - large trace change predicted (4.71186e-05%) + iteration 148: trace = 2.393067972044556 (1.29669e-05% change) linmin: converged after 2 iterations. - iteration 154: trace = 2.393069387069712 (4.71197e-05% change) - linmin: converged after 4 iterations. - iteration 155: trace = 2.393069064685406 (1.34716e-05% change) + iteration 149: trace = 2.393067512835691 (1.91891e-05% change) linmin: converged after 2 iterations. - iteration 156: trace = 2.393068498408129 (2.36632e-05% change) + iteration 150: trace = 2.393067280521175 (9.70781e-06% change) + large trace change predicted (2.11171e-05%) linmin: converged after 2 iterations. - iteration 157: trace = 2.393067869936071 (2.62622e-05% change) - linmin: converged after 5 iterations. - iteration 158: trace = 2.393067640499179 (9.58756e-06% change) - large trace change predicted (2.99995e-05%) + iteration 151: trace = 2.393066775153368 (2.1118e-05% change) + linmin: converged after 3 iterations. + iteration 152: trace = 2.393066360567918 (1.73244e-05% change) + linmin: converged after 3 iterations. + iteration 153: trace = 2.393065738330034 (2.60017e-05% change) + linmin: converged after 3 iterations. + iteration 154: trace = 2.393064611092447 (4.71043e-05% change) linmin: converged after 4 iterations. - iteration 159: trace = 2.393066922607111 (2.99988e-05% change) - linmin: converged after 5 iterations. - iteration 160: trace = 2.393066760488533 (6.77451e-06% change) - large trace change predicted (2.34839e-05%) - linmin: converged after 5 iterations. - iteration 161: trace = 2.393066198531526 (2.34827e-05% change) - linmin: converged after 2 iterations. - iteration 162: trace = 2.393065959542484 (9.98673e-06% change) - large trace change predicted (3.04881e-05%) - linmin: converged after 19 iterations. - iteration 163: trace = 2.393065229947614 (3.04879e-05% change) + iteration 155: trace = 2.393064124188292 (2.03465e-05% change) + large trace change predicted (6.57865e-05%) linmin: converged after 4 iterations. - iteration 164: trace = 2.393064297196831 (3.89772e-05% change) + iteration 156: trace = 2.393062549883917 (6.57862e-05% change) linmin: converged after 4 iterations. - iteration 165: trace = 2.393063832751709 (1.9408e-05% change) - large trace change predicted (9.00171e-05%) + iteration 157: trace = 2.393061925592638 (2.60875e-05% change) linmin: converged after 2 iterations. - iteration 166: trace = 2.393061678473331 (9.00218e-05% change) - linmin: converged after 5 iterations. - iteration 167: trace = 2.393061021480222 (2.74541e-05% change) - large trace change predicted (0.000104522%) + iteration 158: trace = 2.39306070208747 (5.11272e-05% change) + linmin: converged after 3 iterations. + iteration 159: trace = 2.393059229488186 (6.15362e-05% change) + linmin: converged after 3 iterations. + iteration 160: trace = 2.393058054371394 (4.91052e-05% change) + linmin: converged after 3 iterations. + iteration 161: trace = 2.393056564239695 (6.2269e-05% change) + linmin: converged after 3 iterations. + iteration 162: trace = 2.393056133165429 (1.80135e-05% change) + large trace change predicted (3.82396e-05%) linmin: converged after 2 iterations. - iteration 168: trace = 2.393058520143947 (0.000104525% change) - linmin: converged after 24 iterations. - iteration 169: trace = 2.393057709799858 (3.38623e-05% change) - large trace change predicted (7.10287e-05%) + iteration 163: trace = 2.393055218065513 (3.82398e-05% change) + linmin: converged after 2 iterations. + iteration 164: trace = 2.393055033247273 (7.72311e-06% change) linmin: converged after 2 iterations. - iteration 170: trace = 2.393056009967242 (7.10319e-05% change) + iteration 165: trace = 2.393054745662349 (1.20175e-05% change) + linmin: converged after 6 iterations. + iteration 166: trace = 2.393054477900236 (1.11891e-05% change) linmin: converged after 3 iterations. - iteration 171: trace = 2.393055120382709 (3.71736e-05% change) - linmin: converged after 4 iterations. - iteration 172: trace = 2.39305443009403 (2.88455e-05% change) - linmin: converged after 4 iterations. - iteration 173: trace = 2.393053481007506 (3.96601e-05% change) + iteration 167: trace = 2.393054243395434 (9.79939e-06% change) + linmin: converged after 6 iterations. + iteration 168: trace = 2.393053968354816 (1.14933e-05% change) linmin: converged after 4 iterations. - iteration 174: trace = 2.393053249749623 (9.66372e-06% change) - large trace change predicted (3.40476e-05%) + iteration 169: trace = 2.393053693140493 (1.15005e-05% change) + linmin: converged after 10 iterations. + iteration 170: trace = 2.393053368062805 (1.35842e-05% change) + linmin: converged after 5 iterations. + iteration 171: trace = 2.393053053873918 (1.31292e-05% change) + linmin: converged after 2 iterations. + iteration 172: trace = 2.393052582179072 (1.9711e-05% change) + linmin: converged after 2 iterations. + iteration 173: trace = 2.393052237891524 (1.4387e-05% change) linmin: converged after 3 iterations. - iteration 175: trace = 2.393052435010141 (3.4046e-05% change) + iteration 174: trace = 2.39305164906524 (2.46057e-05% change) + linmin: converged after 7 iterations. + iteration 175: trace = 2.393051287300487 (1.51173e-05% change) + linmin: converged after 11 iterations. + iteration 176: trace = 2.393050855394099 (1.80484e-05% change) + linmin: converged after 2 iterations. + iteration 177: trace = 2.39305057072997 (1.18954e-05% change) + linmin: converged after 2 iterations. + iteration 178: trace = 2.393050282546855 (1.20425e-05% change) linmin: converged after 3 iterations. - iteration 176: trace = 2.393052257800338 (7.40518e-06% change) - large trace change predicted (2.80986e-05%) + iteration 179: trace = 2.393049890650508 (1.63764e-05% change) linmin: converged after 3 iterations. - iteration 177: trace = 2.393051585401067 (2.8098e-05% change) + iteration 180: trace = 2.393049554701807 (1.40385e-05% change) linmin: converged after 2 iterations. - iteration 178: trace = 2.393051363984962 (9.25246e-06% change) + iteration 181: trace = 2.393049121037889 (1.81218e-05% change) + linmin: converged after 5 iterations. + iteration 182: trace = 2.393048698304004 (1.76651e-05% change) linmin: converged after 3 iterations. - iteration 179: trace = 2.393051107935718 (1.06997e-05% change) + iteration 183: trace = 2.393048401974238 (1.23829e-05% change) linmin: converged after 2 iterations. - iteration 180: trace = 2.393050898043621 (8.7709e-06% change) - linmin: converged after 21 iterations. - iteration 181: trace = 2.393050814413328 (3.49471e-06% change) + iteration 184: trace = 2.393048088603612 (1.3095e-05% change) linmin: converged after 3 iterations. - iteration 182: trace = 2.39305067552257 (5.80392e-06% change) + iteration 185: trace = 2.393047855091813 (9.75792e-06% change) + linmin: converged after 3 iterations. + iteration 186: trace = 2.393047689398022 (6.92397e-06% change) + linmin: converged after 2 iterations. + iteration 187: trace = 2.393047529347878 (6.68813e-06% change) + linmin: converged after 2 iterations. + iteration 188: trace = 2.393047436442795 (3.88229e-06% change) linmin: converged after 6 iterations. - iteration 183: trace = 2.393050623327516 (2.18111e-06% change) - large trace change predicted (9.06864e-06%) + iteration 189: trace = 2.39304736997329 (2.77761e-06% change) + linmin: converged after 3 iterations. + iteration 190: trace = 2.393047253009914 (4.88763e-06% change) linmin: converged after 2 iterations. - iteration 184: trace = 2.393050406299146 (9.06911e-06% change) - linmin: converged after 5 iterations. - iteration 185: trace = 2.393050207172795 (8.32103e-06% change) - large trace change predicted (2.73197e-05%) + iteration 191: trace = 2.393047215680558 (1.55991e-06% change) + large trace change predicted (6.90607e-06%) + linmin: converged after 18 iterations. + iteration 192: trace = 2.39304705041627 (6.90602e-06% change) linmin: converged after 3 iterations. - iteration 186: trace = 2.393049553444872 (2.73178e-05% change) + iteration 193: trace = 2.393047007509783 (1.79296e-06% change) + large trace change predicted (1.59498e-05%) linmin: converged after 4 iterations. - iteration 187: trace = 2.393049227524117 (1.36195e-05% change) - large trace change predicted (3.88734e-05%) - linmin: converged after 4 iterations. - iteration 188: trace = 2.393048297279782 (3.88728e-05% change) - linmin: converged after 4 iterations. - iteration 189: trace = 2.393047699063402 (2.49981e-05% change) - large trace change predicted (5.02132e-05%) + iteration 194: trace = 2.393046625839594 (1.59491e-05% change) + linmin: converged after 2 iterations. + iteration 195: trace = 2.393046455466145 (7.11952e-06% change) + large trace change predicted (1.55016e-05%) linmin: converged after 4 iterations. - iteration 190: trace = 2.393046497495106 (5.02108e-05% change) + iteration 196: trace = 2.393046084512011 (1.55013e-05% change) linmin: converged after 3 iterations. - iteration 191: trace = 2.393045748889198 (3.12826e-05% change) + iteration 197: trace = 2.393045476320776 (2.54149e-05% change) linmin: converged after 3 iterations. - iteration 192: trace = 2.393044915937652 (3.48072e-05% change) + iteration 198: trace = 2.393045095793413 (1.59014e-05% change) + large trace change predicted (4.35258e-05%) linmin: converged after 3 iterations. - iteration 193: trace = 2.393044047539084 (3.62884e-05% change) - linmin: converged after 4 iterations. - iteration 194: trace = 2.393043875749431 (7.17871e-06% change) - large trace change predicted (1.50576e-05%) + iteration 199: trace = 2.393044054223696 (4.35249e-05% change) linmin: converged after 2 iterations. - iteration 195: trace = 2.393043515402682 (1.50581e-05% change) - linmin: converged after 4 iterations. - iteration 196: trace = 2.393043462927638 (2.19282e-06% change) - large trace change predicted (4.43053e-06%) - linmin: converged after 2 iterations. - iteration 197: trace = 2.393043356901575 (4.4306e-06% change) + iteration 200: trace = 2.393043819758315 (9.79779e-06% change) + large trace change predicted (2.40429e-05%) linmin: converged after 5 iterations. - iteration 198: trace = 2.393043311784036 (1.88536e-06% change) + iteration 201: trace = 2.393043244421333 (2.40421e-05% change) + linmin: converged after 4 iterations. + iteration 202: trace = 2.393042994917181 (1.04262e-05% change) + linmin: converged after 3 iterations. + iteration 203: trace = 2.393042830681869 (6.86303e-06% change) linmin: converged after 3 iterations. - iteration 199: trace = 2.393043276761168 (1.46353e-06% change) - large trace change predicted (3.49352e-06%) + iteration 204: trace = 2.39304271353659 (4.89524e-06% change) linmin: converged after 2 iterations. - iteration 200: trace = 2.393043193159225 (3.49354e-06% change) + iteration 205: trace = 2.393042638630846 (3.13015e-06% change) + large trace change predicted (6.95251e-06%) + linmin: converged after 16 iterations. + iteration 206: trace = 2.393042472254886 (6.95249e-06% change) + linmin: converged after 23 iterations. + iteration 207: trace = 2.393042400677746 (2.99105e-06% change) + linmin: converged after 18 iterations. + iteration 208: trace = 2.393042322304475 (3.27505e-06% change) + linmin: converged after 3 iterations. + iteration 209: trace = 2.393042261812216 (2.52784e-06% change) + resetting CG direction... + linmin: converged after 15 iterations. + iteration 210: trace = 2.393042247601231 (5.93846e-07% change) + large trace change predicted (1.25795e-06%) linmin: converged after 8 iterations. - iteration 201: trace = 2.39304316328524 (1.24837e-06% change) - large trace change predicted (4.2649e-06%) - linmin: converged after 20 iterations. - iteration 202: trace = 2.39304306122494 (4.26488e-06% change) + iteration 211: trace = 2.393042217498122 (1.25794e-06% change) + linmin: converged after 2 iterations. + iteration 212: trace = 2.393042186335165 (1.30223e-06% change) + linmin: converged after 4 iterations. + iteration 213: trace = 2.39304217180622 (6.07133e-07% change) + large trace change predicted (2.5041e-06%) linmin: converged after 2 iterations. - iteration 203: trace = 2.39304295381029 (4.48862e-06% change) + iteration 214: trace = 2.393042111881185 (2.50414e-06% change) linmin: converged after 3 iterations. - iteration 204: trace = 2.39304284163176 (4.68769e-06% change) + iteration 215: trace = 2.393042089884642 (9.19187e-07% change) + large trace change predicted (3.25946e-06%) + linmin: converged after 2 iterations. + iteration 216: trace = 2.393042011882524 (3.25954e-06% change) + linmin: converged after 26 iterations. + iteration 217: trace = 2.393041923586839 (3.68968e-06% change) + linmin: converged after 4 iterations. + iteration 218: trace = 2.393041810952472 (4.70674e-06% change) linmin: converged after 2 iterations. - iteration 205: trace = 2.393042696903165 (6.04789e-06% change) + iteration 219: trace = 2.393041680516614 (5.45063e-06% change) + linmin: converged after 30 iterations. + iteration 220: trace = 2.39304163835257 (1.76194e-06% change) + large trace change predicted (4.89254e-06%) linmin: converged after 2 iterations. - iteration 206: trace = 2.393042617994168 (3.29743e-06% change) + iteration 221: trace = 2.393041521269065 (4.89266e-06% change) linmin: converged after 2 iterations. - iteration 207: trace = 2.393042511897021 (4.43357e-06% change) + iteration 222: trace = 2.393041496888177 (1.01882e-06% change) + large trace change predicted (2.21137e-06%) linmin: converged after 2 iterations. - iteration 208: trace = 2.393042426723516 (3.55921e-06% change) - linmin: converged after 11 iterations. - iteration 209: trace = 2.39304230116735 (5.24672e-06% change) - resetting CG direction... + iteration 223: trace = 2.393041443968253 (2.21141e-06% change) + linmin: converged after 32 iterations. + iteration 224: trace = 2.3930414299598 (5.85383e-07% change) + large trace change predicted (1.3606e-06%) linmin: converged after 2 iterations. - iteration 210: trace = 2.393042226468239 (3.12151e-06% change) - linmin: converged after 3 iterations. - iteration 211: trace = 2.393042168183205 (2.4356e-06% change) - linmin: converged after 3 iterations. - iteration 212: trace = 2.393042100191334 (2.84123e-06% change) - linmin: converged after 10 iterations. - iteration 213: trace = 2.393042061999979 (1.59593e-06% change) + iteration 225: trace = 2.393041397399886 (1.36061e-06% change) linmin: converged after 2 iterations. - iteration 214: trace = 2.393041992212131 (2.91628e-06% change) + iteration 226: trace = 2.393041383648656 (5.74634e-07% change) linmin: converged after 2 iterations. - iteration 215: trace = 2.393041942118815 (2.09329e-06% change) - linmin: converged after 26 iterations. - iteration 216: trace = 2.393041906870438 (1.47295e-06% change) - linmin: converged after 6 iterations. - iteration 217: trace = 2.393041867868708 (1.6298e-06% change) + iteration 227: trace = 2.393041361493289 (9.25825e-07% change) linmin: converged after 3 iterations. - iteration 218: trace = 2.393041859358093 (3.5564e-07% change) - large trace change predicted (8.75587e-07%) - linmin: converged after 2 iterations. - iteration 219: trace = 2.393041838404728 (8.75595e-07% change) + iteration 228: trace = 2.393041346717097 (6.17465e-07% change) linmin: converged after 2 iterations. - iteration 220: trace = 2.393041820457918 (7.49958e-07% change) - linmin: converged after 17 iterations. - iteration 221: trace = 2.39304181176659 (3.63192e-07% change) - large trace change predicted (9.76316e-07%) + iteration 229: trace = 2.393041335862363 (4.53596e-07% change) linmin: converged after 2 iterations. - iteration 222: trace = 2.393041788402952 (9.76316e-07% change) + iteration 230: trace = 2.393041320146199 (6.56744e-07% change) linmin: converged after 4 iterations. - iteration 223: trace = 2.393041774878442 (5.6516e-07% change) - large trace change predicted (2.14019e-06%) - linmin: converged after 21 iterations. - iteration 224: trace = 2.393041723663142 (2.14018e-06% change) + iteration 231: trace = 2.393041313881144 (2.61803e-07% change) + linmin: converged after 3 iterations. + iteration 232: trace = 2.393041301574244 (5.14279e-07% change) + linmin: converged after 3 iterations. + iteration 233: trace = 2.393041294756691 (2.84891e-07% change) linmin: converged after 2 iterations. - iteration 225: trace = 2.393041671887843 (2.16358e-06% change) + iteration 234: trace = 2.393041282412686 (5.15829e-07% change) linmin: converged after 2 iterations. - iteration 226: trace = 2.393041603467304 (2.85915e-06% change) + iteration 235: trace = 2.393041276583797 (2.43577e-07% change) + large trace change predicted (8.15063e-07%) + linmin: converged after 4 iterations. + iteration 236: trace = 2.393041257079034 (8.15062e-07% change) + linmin: converged after 4 iterations. + iteration 237: trace = 2.393041247599141 (3.96144e-07% change) + large trace change predicted (8.89121e-07%) linmin: converged after 2 iterations. - iteration 227: trace = 2.393041515230374 (3.68723e-06% change) + iteration 238: trace = 2.39304122632208 (8.89122e-07% change) linmin: converged after 2 iterations. - iteration 228: trace = 2.393041482455889 (1.36957e-06% change) - large trace change predicted (2.98102e-06%) + iteration 239: trace = 2.393041197366031 (1.21001e-06% change) linmin: converged after 2 iterations. - iteration 229: trace = 2.393041411117911 (2.98106e-06% change) + iteration 240: trace = 2.393041181306328 (6.711e-07% change) + large trace change predicted (1.62413e-06%) linmin: converged after 3 iterations. - iteration 230: trace = 2.393041361388025 (2.0781e-06% change) - linmin: converged after 14 iterations. - iteration 231: trace = 2.393041330586436 (1.28713e-06% change) - linmin: converged after 2 iterations. - iteration 232: trace = 2.393041295243412 (1.47691e-06% change) - linmin: converged after 8 iterations. - iteration 233: trace = 2.393041278864061 (6.84458e-07% change) - linmin: converged after 2 iterations. - iteration 234: trace = 2.393041257500504 (8.92737e-07% change) + iteration 241: trace = 2.393041142440564 (1.62412e-06% change) + linmin: converged after 6 iterations. + iteration 242: trace = 2.393041120017029 (9.37031e-07% change) + large trace change predicted (2.55363e-06%) linmin: converged after 2 iterations. - iteration 235: trace = 2.393041246889093 (4.43428e-07% change) - linmin: converged after 3 iterations. - iteration 236: trace = 2.3930412310829 (6.60507e-07% change) + iteration 243: trace = 2.393041058906813 (2.55366e-06% change) + linmin: converged after 12 iterations. + iteration 244: trace = 2.393041037765566 (8.83447e-07% change) + large trace change predicted (2.03353e-06%) linmin: converged after 2 iterations. - iteration 237: trace = 2.393041215897756 (6.34554e-07% change) + iteration 245: trace = 2.393040989101882 (2.03355e-06% change) linmin: converged after 6 iterations. - iteration 238: trace = 2.393041208005772 (3.29789e-07% change) - linmin: converged after 3 iterations. - iteration 239: trace = 2.393041193308563 (6.14164e-07% change) + iteration 246: trace = 2.39304094039162 (2.0355e-06% change) linmin: converged after 3 iterations. - iteration 240: trace = 2.393041188389303 (2.05565e-07% change) - large trace change predicted (6.52311e-07%) - linmin: converged after 3 iterations. - iteration 241: trace = 2.393041172779269 (6.52309e-07% change) - linmin: converged after 22 iterations. - iteration 242: trace = 2.393041160100434 (5.29821e-07% change) - linmin: converged after 3 iterations. - iteration 243: trace = 2.39304114899997 (4.63864e-07% change) - large trace change predicted (1.29682e-06%) + iteration 247: trace = 2.393040921932785 (7.71355e-07% change) + large trace change predicted (1.81432e-06%) linmin: converged after 2 iterations. - iteration 244: trace = 2.393041117966356 (1.29683e-06% change) - linmin: converged after 10 iterations. - iteration 245: trace = 2.393041107350222 (4.43625e-07% change) - large trace change predicted (2.50813e-06%) + iteration 248: trace = 2.39304087851463 (1.81435e-06% change) linmin: converged after 2 iterations. - iteration 246: trace = 2.393041047329311 (2.50814e-06% change) - linmin: converged after 23 iterations. - iteration 247: trace = 2.393041020536951 (1.11959e-06% change) - large trace change predicted (4.42269e-06%) - linmin: converged after 3 iterations. - iteration 248: trace = 2.393040914700689 (4.42267e-06% change) + iteration 249: trace = 2.393040864659627 (5.78971e-07% change) + linmin: converged after 4 iterations. + iteration 250: trace = 2.393040851227776 (5.61288e-07% change) linmin: converged after 3 iterations. - iteration 249: trace = 2.393040855022179 (2.49384e-06% change) + iteration 251: trace = 2.393040838999586 (5.1099e-07% change) linmin: converged after 2 iterations. - iteration 250: trace = 2.393040748463542 (4.45286e-06% change) - linmin: converged after 16 iterations. - iteration 251: trace = 2.393040710358679 (1.59232e-06% change) + iteration 252: trace = 2.393040833675871 (2.22467e-07% change) + large trace change predicted (6.36274e-07%) + linmin: converged after 17 iterations. + iteration 253: trace = 2.39304081844946 (6.36279e-07% change) linmin: converged after 3 iterations. - iteration 252: trace = 2.393040643295781 (2.80241e-06% change) + iteration 254: trace = 2.393040810880828 (3.16277e-07% change) + linmin: converged after 4 iterations. + iteration 255: trace = 2.393040805653159 (2.18453e-07% change) + large trace change predicted (5.77502e-07%) linmin: converged after 2 iterations. - iteration 253: trace = 2.39304061423221 (1.2145e-06% change) + iteration 256: trace = 2.393040791833266 (5.77503e-07% change) linmin: converged after 2 iterations. - iteration 254: trace = 2.393040598418901 (6.60804e-07% change) + iteration 257: trace = 2.393040785279004 (2.73888e-07% change) linmin: converged after 2 iterations. - iteration 255: trace = 2.393040577851683 (8.5946e-07% change) - linmin: converged after 4 iterations. - iteration 256: trace = 2.393040572705137 (2.15063e-07% change) - large trace change predicted (4.77152e-07%) - linmin: converged after 3 iterations. - iteration 257: trace = 2.393040561286761 (4.77149e-07% change) - linmin: converged after 3 iterations. - iteration 258: trace = 2.393040557290889 (1.66979e-07% change) - large trace change predicted (3.67111e-07%) - linmin: converged after 4 iterations. - iteration 259: trace = 2.393040548505703 (3.67114e-07% change) - linmin: converged after 9 iterations. - iteration 260: trace = 2.393040544262423 (1.77318e-07% change) - large trace change predicted (3.91366e-07%) - linmin: converged after 3 iterations. - iteration 261: trace = 2.393040534896974 (3.91362e-07% change) + iteration 258: trace = 2.393040776217052 (3.78679e-07% change) linmin: converged after 2 iterations. - iteration 262: trace = 2.393040521294636 (5.68412e-07% change) + iteration 259: trace = 2.393040759404382 (7.02565e-07% change) + linmin: converged after 12 iterations. + iteration 260: trace = 2.393040752309162 (2.96494e-07% change) linmin: converged after 4 iterations. - iteration 263: trace = 2.393040516174779 (2.13948e-07% change) - large trace change predicted (7.08643e-07%) + iteration 261: trace = 2.393040738612489 (5.72354e-07% change) linmin: converged after 2 iterations. - iteration 264: trace = 2.393040499216496 (7.0865e-07% change) - linmin: converged after 4 iterations. - iteration 265: trace = 2.393040491737621 (3.12526e-07% change) - large trace change predicted (7.22952e-07%) - linmin: converged after 27 iterations. - iteration 266: trace = 2.393040474437362 (7.22941e-07% change) + iteration 262: trace = 2.393040725488089 (5.4844e-07% change) + linmin: converged after 16 iterations. + iteration 263: trace = 2.393040720261167 (2.18422e-07% change) + large trace change predicted (6.43733e-07%) + linmin: converged after 2 iterations. + iteration 264: trace = 2.393040704856337 (6.43735e-07% change) linmin: converged after 3 iterations. - iteration 267: trace = 2.393040462744822 (4.88606e-07% change) + iteration 265: trace = 2.393040691749967 (5.47687e-07% change) + linmin: converged after 13 iterations. + iteration 266: trace = 2.393040685431178 (2.64049e-07% change) + large trace change predicted (6.64198e-07%) + linmin: converged after 12 iterations. + iteration 267: trace = 2.393040669536662 (6.64198e-07% change) + linmin: converged after 2 iterations. + iteration 268: trace = 2.39304066104763 (3.54738e-07% change) linmin: converged after 2 iterations. - iteration 268: trace = 2.393040445604542 (7.16255e-07% change) + iteration 269: trace = 2.39304065167602 (3.91619e-07% change) + large trace change predicted (1.00703e-06%) + linmin: converged after 9 iterations. + iteration 270: trace = 2.393040627577543 (1.00702e-06% change) linmin: converged after 4 iterations. - iteration 269: trace = 2.393040421199894 (1.01982e-06% change) - linmin: converged after 10 iterations. - iteration 270: trace = 2.393040409601803 (4.84659e-07% change) - large trace change predicted (1.38722e-06%) + iteration 271: trace = 2.393040616273385 (4.72376e-07% change) + large trace change predicted (1.03186e-06%) linmin: converged after 4 iterations. - iteration 271: trace = 2.39304037640564 (1.3872e-06% change) - linmin: converged after 21 iterations. - iteration 272: trace = 2.393040364852663 (4.82774e-07% change) - large trace change predicted (1.5673e-06%) + iteration 272: trace = 2.393040591580793 (1.03185e-06% change) linmin: converged after 2 iterations. - iteration 273: trace = 2.393040327346475 (1.5673e-06% change) - linmin: converged after 4 iterations. - iteration 274: trace = 2.393040310364444 (7.09642e-07% change) - large trace change predicted (1.47613e-06%) - linmin: converged after 8 iterations. - iteration 275: trace = 2.393040275040153 (1.47613e-06% change) - linmin: converged after 3 iterations. - iteration 276: trace = 2.393040241114048 (1.4177e-06% change) - linmin: converged after 5 iterations. - iteration 277: trace = 2.393040200368841 (1.70265e-06% change) - linmin: converged after 3 iterations. - iteration 278: trace = 2.393040164587187 (1.49524e-06% change) - linmin: converged after 3 iterations. - iteration 279: trace = 2.393040143637449 (8.75445e-07% change) - resetting CG direction... - linmin: converged after 20 iterations. - iteration 280: trace = 2.393040123615926 (8.36656e-07% change) - linmin: converged after 26 iterations. - iteration 281: trace = 2.393040097254723 (1.10158e-06% change) - linmin: converged after 3 iterations. - iteration 282: trace = 2.393040080609036 (6.95587e-07% change) - linmin: converged after 3 iterations. - iteration 283: trace = 2.393040070023619 (4.42342e-07% change) + iteration 273: trace = 2.393040560859033 (1.2838e-06% change) + linmin: converged after 2 iterations. + iteration 274: trace = 2.393040544868129 (6.68225e-07% change) + large trace change predicted (2.00042e-06%) linmin: converged after 4 iterations. - iteration 284: trace = 2.39304005365244 (6.84116e-07% change) - linmin: converged after 3 iterations. - iteration 285: trace = 2.393040049252831 (1.8385e-07% change) - large trace change predicted (4.41918e-07%) + iteration 275: trace = 2.393040496997922 (2.00039e-06% change) linmin: converged after 3 iterations. - iteration 286: trace = 2.393040038677494 (4.41921e-07% change) + iteration 276: trace = 2.393040473320494 (9.89429e-07% change) linmin: converged after 2 iterations. - iteration 287: trace = 2.393040025509667 (5.50255e-07% change) + iteration 277: trace = 2.393040459562482 (5.74918e-07% change) + large trace change predicted (1.29735e-06%) + linmin: converged after 2 iterations. + iteration 278: trace = 2.393040428516246 (1.29736e-06% change) linmin: converged after 4 iterations. - iteration 288: trace = 2.393040019654107 (2.44691e-07% change) - large trace change predicted (5.17209e-07%) + iteration 279: trace = 2.39304041795425 (4.41363e-07% change) + resetting CG direction... + linmin: converged after 10 iterations. + iteration 280: trace = 2.393040401636943 (6.81865e-07% change) linmin: converged after 2 iterations. - iteration 289: trace = 2.393040007277034 (5.17211e-07% change) - linmin: converged after 3 iterations. - iteration 290: trace = 2.393039997140364 (4.2359e-07% change) + iteration 281: trace = 2.393040397121672 (1.88683e-07% change) + large trace change predicted (5.79445e-07%) linmin: converged after 3 iterations. - iteration 291: trace = 2.393039989962083 (2.99965e-07% change) - large trace change predicted (9.5808e-07%) + iteration 282: trace = 2.393040383255354 (5.79444e-07% change) linmin: converged after 2 iterations. - iteration 292: trace = 2.393039967034778 (9.58083e-07% change) - linmin: converged after 19 iterations. - iteration 293: trace = 2.393039962769715 (1.78228e-07% change) - large trace change predicted (5.5828e-07%) - linmin: converged after 2 iterations. - iteration 294: trace = 2.393039949409854 (5.5828e-07% change) + iteration 283: trace = 2.393040375341736 (3.30693e-07% change) + linmin: converged after 13 iterations. + iteration 284: trace = 2.393040369703443 (2.35612e-07% change) + linmin: converged after 6 iterations. + iteration 285: trace = 2.393040359461591 (4.27985e-07% change) + linmin: converged after 6 iterations. + iteration 286: trace = 2.393040355621475 (1.6047e-07% change) + large trace change predicted (4.0934e-07%) linmin: converged after 2 iterations. - iteration 295: trace = 2.393039940301859 (3.80604e-07% change) - linmin: converged after 9 iterations. - iteration 296: trace = 2.393039934340293 (2.49121e-07% change) - large trace change predicted (7.05859e-07%) + iteration 287: trace = 2.393040345825778 (4.09341e-07% change) + large trace change predicted (9.04013e-07%) linmin: converged after 2 iterations. - iteration 297: trace = 2.393039917448811 (7.05859e-07% change) - linmin: converged after 12 iterations. - iteration 298: trace = 2.393039910573973 (2.87285e-07% change) - large trace change predicted (8.63755e-07%) + iteration 288: trace = 2.393040324192253 (9.04018e-07% change) linmin: converged after 2 iterations. - iteration 299: trace = 2.393039889903911 (8.63758e-07% change) - linmin: converged after 16 iterations. - iteration 300: trace = 2.393039883607988 (2.63093e-07% change) - linmin: converged after 4 iterations. - iteration 301: trace = 2.393039872341665 (4.70795e-07% change) - linmin: converged after 3 iterations. - iteration 302: trace = 2.393039868547251 (1.5856e-07% change) + iteration 289: trace = 2.393040316427502 (3.24472e-07% change) + large trace change predicted (1.35048e-06%) linmin: converged after 2 iterations. - iteration 303: trace = 2.393039864622915 (1.6399e-07% change) + iteration 290: trace = 2.39304028410985 (1.35049e-06% change) + linmin: converged after 15 iterations. + iteration 291: trace = 2.3930402610899 (9.61954e-07% change) linmin: converged after 2 iterations. - iteration 304: trace = 2.393039861818064 (1.17209e-07% change) - linmin: converged after 3 iterations. - iteration 305: trace = 2.393039859681585 (8.92789e-08% change) + iteration 292: trace = 2.39304024068135 (8.52829e-07% change) linmin: converged after 3 iterations. - iteration 306: trace = 2.393039858141666 (6.43499e-08% change) - large trace change predicted (1.59118e-07%) + iteration 293: trace = 2.393040211762511 (1.20846e-06% change) linmin: converged after 2 iterations. - iteration 307: trace = 2.393039854333894 (1.59119e-07% change) - linmin: converged after 4 iterations. - iteration 308: trace = 2.393039852312407 (8.44736e-08% change) - large trace change predicted (2.45614e-07%) + iteration 294: trace = 2.393040195890772 (6.63246e-07% change) linmin: converged after 3 iterations. - iteration 309: trace = 2.393039846434784 (2.45613e-07% change) - linmin: converged after 4 iterations. - iteration 310: trace = 2.393039842958436 (1.45269e-07% change) - large trace change predicted (4.00408e-07%) - linmin: converged after 26 iterations. - iteration 311: trace = 2.39303983337652 (4.00408e-07% change) - linmin: converged after 4 iterations. - iteration 312: trace = 2.393039827049448 (2.64395e-07% change) - large trace change predicted (6.2286e-07%) - linmin: converged after 4 iterations. - iteration 313: trace = 2.39303981214422 (6.22857e-07% change) - linmin: converged after 2 iterations. - iteration 314: trace = 2.393039803193084 (3.74049e-07% change) - large trace change predicted (8.47055e-07%) + iteration 295: trace = 2.393040181250182 (6.11799e-07% change) linmin: converged after 2 iterations. - iteration 315: trace = 2.393039782922678 (8.47057e-07% change) - linmin: converged after 2 iterations. - iteration 316: trace = 2.393039775919828 (2.92634e-07% change) - large trace change predicted (6.03112e-07%) - linmin: converged after 3 iterations. - iteration 317: trace = 2.393039761487149 (6.03111e-07% change) + iteration 296: trace = 2.393040165522446 (6.57228e-07% change) linmin: converged after 2 iterations. - iteration 318: trace = 2.393039757974968 (1.46766e-07% change) + iteration 297: trace = 2.393040160825966 (1.96256e-07% change) + large trace change predicted (7.71922e-07%) linmin: converged after 2 iterations. - iteration 319: trace = 2.393039751324605 (2.77904e-07% change) - linmin: converged after 4 iterations. - iteration 320: trace = 2.393039746925592 (1.83825e-07% change) - linmin: converged after 6 iterations. - iteration 321: trace = 2.393039741642429 (2.20772e-07% change) + iteration 298: trace = 2.393040142353567 (7.71922e-07% change) linmin: converged after 2 iterations. - iteration 322: trace = 2.393039739594184 (8.55918e-08% change) - linmin: converged after 6 iterations. - iteration 323: trace = 2.393039736297653 (1.37755e-07% change) + iteration 299: trace = 2.393040129565824 (5.34372e-07% change) + linmin: converged after 3 iterations. + iteration 300: trace = 2.393040121227932 (3.48423e-07% change) linmin: converged after 4 iterations. - iteration 324: trace = 2.393039734616863 (7.02366e-08% change) + iteration 301: trace = 2.393040113535096 (3.21467e-07% change) linmin: converged after 2 iterations. - iteration 325: trace = 2.393039732482706 (8.91818e-08% change) + iteration 302: trace = 2.393040109022782 (1.8856e-07% change) linmin: converged after 2 iterations. - iteration 326: trace = 2.393039730474012 (8.3939e-08% change) - linmin: converged after 28 iterations. - iteration 327: trace = 2.393039729541427 (3.89707e-08% change) - large trace change predicted (1.25479e-07%) - linmin: converged after 2 iterations. - iteration 328: trace = 2.393039726538658 (1.25479e-07% change) - linmin: converged after 5 iterations. - iteration 329: trace = 2.393039725259905 (5.34363e-08% change) - large trace change predicted (1.08967e-07%) - linmin: converged after 3 iterations. - iteration 330: trace = 2.393039722652271 (1.08967e-07% change) - linmin: converged after 4 iterations. - iteration 331: trace = 2.393039720055134 (1.08529e-07% change) - linmin: converged after 4 iterations. - iteration 332: trace = 2.39303971821311 (7.69742e-08% change) - large trace change predicted (1.65289e-07%) - linmin: converged after 4 iterations. - iteration 333: trace = 2.393039714257687 (1.65289e-07% change) - linmin: converged after 4 iterations. - iteration 334: trace = 2.393039711455557 (1.17095e-07% change) - large trace change predicted (4.35667e-07%) + iteration 303: trace = 2.393040105747365 (1.36873e-07% change) + large trace change predicted (4.18119e-07%) linmin: converged after 3 iterations. - iteration 335: trace = 2.393039701029889 (4.35666e-07% change) - linmin: converged after 6 iterations. - iteration 336: trace = 2.39303969414832 (2.87566e-07% change) - large trace change predicted (6.18633e-07%) + iteration 304: trace = 2.393040095741655 (4.18117e-07% change) linmin: converged after 3 iterations. - iteration 337: trace = 2.393039679344427 (6.18623e-07% change) + iteration 305: trace = 2.393040092527053 (1.34331e-07% change) + large trace change predicted (5.86737e-07%) linmin: converged after 3 iterations. - iteration 338: trace = 2.393039665738685 (5.68555e-07% change) + iteration 306: trace = 2.393040078486267 (5.86734e-07% change) linmin: converged after 2 iterations. - iteration 339: trace = 2.393039658024705 (3.22351e-07% change) - linmin: converged after 14 iterations. - iteration 340: trace = 2.393039648022045 (4.1799e-07% change) + iteration 307: trace = 2.393040069863917 (3.60309e-07% change) + linmin: converged after 3 iterations. + iteration 308: trace = 2.393040056316079 (5.66135e-07% change) + large trace change predicted (1.19091e-06%) + linmin: converged after 17 iterations. + iteration 309: trace = 2.393040027817541 (1.19089e-06% change) + linmin: converged after 6 iterations. + iteration 310: trace = 2.393040020789332 (2.93694e-07% change) + large trace change predicted (8.98593e-07%) linmin: converged after 3 iterations. - iteration 341: trace = 2.393039645279689 (1.14597e-07% change) + iteration 311: trace = 2.39303999928587 (8.98583e-07% change) linmin: converged after 2 iterations. - iteration 342: trace = 2.393039639860686 (2.26449e-07% change) + iteration 312: trace = 2.393039989849957 (3.94307e-07% change) + linmin: converged after 21 iterations. + iteration 313: trace = 2.393039982253871 (3.17424e-07% change) + linmin: converged after 7 iterations. + iteration 314: trace = 2.39303997204163 (4.26748e-07% change) + linmin: converged after 9 iterations. + iteration 315: trace = 2.393039964751855 (3.04624e-07% change) + linmin: converged after 18 iterations. + iteration 316: trace = 2.393039959605534 (2.15054e-07% change) + linmin: converged after 4 iterations. + iteration 317: trace = 2.3930399516176 (3.33799e-07% change) linmin: converged after 2 iterations. - iteration 343: trace = 2.393039638614395 (5.20798e-08% change) - large trace change predicted (1.33225e-07%) - linmin: converged after 31 iterations. - iteration 344: trace = 2.393039635426273 (1.33225e-07% change) + iteration 318: trace = 2.393039948986949 (1.09929e-07% change) + linmin: converged after 3 iterations. + iteration 319: trace = 2.393039943793787 (2.17011e-07% change) linmin: converged after 2 iterations. - iteration 345: trace = 2.393039634396342 (4.30386e-08% change) - large trace change predicted (2.76744e-07%) + iteration 320: trace = 2.393039938781988 (2.09432e-07% change) + linmin: converged after 23 iterations. + iteration 321: trace = 2.393039936803639 (8.26709e-08% change) + large trace change predicted (1.87021e-07%) linmin: converged after 2 iterations. - iteration 346: trace = 2.393039627773743 (2.76744e-07% change) + iteration 322: trace = 2.393039932328152 (1.87021e-07% change) linmin: converged after 2 iterations. - iteration 347: trace = 2.393039623939238 (1.60236e-07% change) - linmin: converged after 4 iterations. - iteration 348: trace = 2.393039620653532 (1.37303e-07% change) - linmin: converged after 6 iterations. - iteration 349: trace = 2.393039619165641 (6.21758e-08% change) - resetting CG direction... - linmin: converged after 10 iterations. - iteration 350: trace = 2.39303961742302 (7.28204e-08% change) - linmin: converged after 4 iterations. - iteration 351: trace = 2.393039616584213 (3.50519e-08% change) - large trace change predicted (1.07232e-07%) + iteration 323: trace = 2.393039929108138 (1.34557e-07% change) linmin: converged after 2 iterations. - iteration 352: trace = 2.393039614018103 (1.07232e-07% change) - linmin: converged after 3 iterations. - iteration 353: trace = 2.393039612067748 (8.15011e-08% change) - linmin: converged after 8 iterations. - iteration 354: trace = 2.393039610485067 (6.61369e-08% change) - large trace change predicted (1.6085e-07%) + iteration 324: trace = 2.393039926588509 (1.0529e-07% change) + large trace change predicted (3.29776e-07%) linmin: converged after 2 iterations. - iteration 355: trace = 2.393039606635865 (1.6085e-07% change) + iteration 325: trace = 2.393039918696823 (3.29777e-07% change) + linmin: converged after 13 iterations. + iteration 326: trace = 2.393039916007758 (1.1237e-07% change) + large trace change predicted (7.89265e-07%) linmin: converged after 3 iterations. - iteration 356: trace = 2.393039604999336 (6.8387e-08% change) - large trace change predicted (2.15251e-07%) + iteration 327: trace = 2.393039897120467 (7.89259e-07% change) linmin: converged after 2 iterations. - iteration 357: trace = 2.393039599848283 (2.15252e-07% change) + iteration 328: trace = 2.393039888146968 (3.74983e-07% change) linmin: converged after 3 iterations. - iteration 358: trace = 2.393039595199832 (1.94249e-07% change) - linmin: converged after 2 iterations. - iteration 359: trace = 2.393039590728982 (1.86827e-07% change) - large trace change predicted (3.76711e-07%) - linmin: converged after 2 iterations. - iteration 360: trace = 2.393039581714138 (3.76711e-07% change) + iteration 329: trace = 2.393039877457816 (4.46677e-07% change) + large trace change predicted (1.98777e-06%) linmin: converged after 3 iterations. - iteration 361: trace = 2.393039579624308 (8.73295e-08% change) - large trace change predicted (3.15035e-07%) + iteration 330: trace = 2.393039829890174 (1.98775e-06% change) linmin: converged after 3 iterations. - iteration 362: trace = 2.393039572085427 (3.15034e-07% change) + iteration 331: trace = 2.393039813044921 (7.03927e-07% change) + linmin: converged after 9 iterations. + iteration 332: trace = 2.393039780491151 (1.36035e-06% change) + linmin: converged after 32 iterations. + iteration 333: trace = 2.393039775589238 (2.0484e-07% change) linmin: converged after 4 iterations. - iteration 363: trace = 2.393039569195385 (1.20769e-07% change) - linmin: converged after 24 iterations. - iteration 364: trace = 2.393039567347576 (7.7216e-08% change) - linmin: converged after 3 iterations. - iteration 365: trace = 2.393039564256501 (1.29169e-07% change) - linmin: converged after 3 iterations. - iteration 366: trace = 2.393039562988934 (5.29689e-08% change) + iteration 334: trace = 2.39303976708434 (3.55401e-07% change) + linmin: converged after 4 iterations. + iteration 335: trace = 2.393039763217264 (1.61597e-07% change) + linmin: converged after 8 iterations. + iteration 336: trace = 2.393039761306092 (7.98638e-08% change) + large trace change predicted (2.31045e-07%) + linmin: converged after 2 iterations. + iteration 337: trace = 2.393039755777094 (2.31045e-07% change) + linmin: converged after 34 iterations. + iteration 338: trace = 2.393039752654644 (1.3048e-07% change) + large trace change predicted (4.50116e-07%) linmin: converged after 2 iterations. - iteration 367: trace = 2.393039560578459 (1.00729e-07% change) + iteration 339: trace = 2.393039741883192 (4.50116e-07% change) linmin: converged after 2 iterations. - iteration 368: trace = 2.393039558922604 (6.91947e-08% change) + iteration 340: trace = 2.39303972316294 (7.82279e-07% change) + linmin: converged after 8 iterations. + iteration 341: trace = 2.393039710133924 (5.44455e-07% change) + linmin: converged after 2 iterations. + iteration 342: trace = 2.393039690669103 (8.13393e-07% change) + linmin: converged after 6 iterations. + iteration 343: trace = 2.39303968524955 (2.26471e-07% change) + large trace change predicted (5.63956e-07%) linmin: converged after 26 iterations. - iteration 369: trace = 2.393039557927479 (4.15841e-08% change) - linmin: converged after 3 iterations. - iteration 370: trace = 2.393039556595693 (5.56525e-08% change) - linmin: converged after 3 iterations. - iteration 371: trace = 2.393039555890322 (2.94759e-08% change) - linmin: converged after 3 iterations. - iteration 372: trace = 2.393039554797251 (4.56771e-08% change) - linmin: converged after 4 iterations. - iteration 373: trace = 2.393039554116998 (2.84263e-08% change) - linmin: converged after 4 iterations. - iteration 374: trace = 2.393039553586225 (2.21799e-08% change) + iteration 344: trace = 2.393039671753889 (5.63955e-07% change) linmin: converged after 2 iterations. - iteration 375: trace = 2.393039552816456 (3.2167e-08% change) - linmin: converged after 14 iterations. - iteration 376: trace = 2.393039552509962 (1.28077e-08% change) - large trace change predicted (3.80158e-08%) - linmin: converged after 20 iterations. - iteration 377: trace = 2.39303955160023 (3.80157e-08% change) + iteration 345: trace = 2.393039653254669 (7.73043e-07% change) + large trace change predicted (1.69597e-06%) + linmin: converged after 16 iterations. + iteration 346: trace = 2.393039612669827 (1.69595e-06% change) linmin: converged after 4 iterations. - iteration 378: trace = 2.393039550102957 (6.25678e-08% change) + iteration 347: trace = 2.393039569327265 (1.81119e-06% change) linmin: converged after 2 iterations. - iteration 379: trace = 2.393039547896684 (9.21954e-08% change) - large trace change predicted (2.08605e-07%) - linmin: converged after 13 iterations. - iteration 380: trace = 2.393039542904686 (2.08605e-07% change) - linmin: converged after 13 iterations. - iteration 381: trace = 2.393039540914833 (8.31517e-08% change) - large trace change predicted (2.68473e-07%) + iteration 348: trace = 2.393039542295397 (1.1296e-06% change) + linmin: converged after 12 iterations. + iteration 349: trace = 2.393039520186624 (9.23878e-07% change) + resetting CG direction... + linmin: converged after 6 iterations. + iteration 350: trace = 2.393039512913585 (3.03925e-07% change) + linmin: converged after 32 iterations. + iteration 351: trace = 2.393039505285024 (3.18781e-07% change) + linmin: converged after 2 iterations. + iteration 352: trace = 2.39303949319118 (5.05376e-07% change) + linmin: converged after 8 iterations. + iteration 353: trace = 2.393039491116448 (8.66986e-08% change) + large trace change predicted (2.18346e-07%) linmin: converged after 2 iterations. - iteration 382: trace = 2.393039534490165 (2.68473e-07% change) + iteration 354: trace = 2.393039485891347 (2.18346e-07% change) linmin: converged after 3 iterations. - iteration 383: trace = 2.393039531743482 (1.14778e-07% change) - linmin: converged after 4 iterations. - iteration 384: trace = 2.393039529022216 (1.13716e-07% change) + iteration 355: trace = 2.393039484929084 (4.02109e-08% change) linmin: converged after 2 iterations. - iteration 385: trace = 2.3930395266464 (9.92803e-08% change) + iteration 356: trace = 2.393039483781768 (4.79439e-08% change) linmin: converged after 2 iterations. - iteration 386: trace = 2.393039525621313 (4.28362e-08% change) - linmin: converged after 4 iterations. - iteration 387: trace = 2.39303952381167 (7.56211e-08% change) - linmin: converged after 3 iterations. - iteration 388: trace = 2.393039522544793 (5.29401e-08% change) - linmin: converged after 30 iterations. - iteration 389: trace = 2.393039521254976 (5.38987e-08% change) - linmin: converged after 3 iterations. - iteration 390: trace = 2.393039520146193 (4.63337e-08% change) + iteration 357: trace = 2.393039482080991 (7.10718e-08% change) linmin: converged after 3 iterations. - iteration 391: trace = 2.393039519641123 (2.11058e-08% change) + iteration 358: trace = 2.393039481501575 (2.42126e-08% change) + large trace change predicted (8.12147e-08%) linmin: converged after 2 iterations. - iteration 392: trace = 2.39303951876411 (3.66485e-08% change) - linmin: converged after 4 iterations. - iteration 393: trace = 2.393039518111734 (2.72614e-08% change) + iteration 359: trace = 2.393039479558073 (8.12148e-08% change) linmin: converged after 3 iterations. - iteration 394: trace = 2.393039516866131 (5.20511e-08% change) + iteration 360: trace = 2.393039479184258 (1.56209e-08% change) + large trace change predicted (5.68628e-08%) linmin: converged after 2 iterations. - iteration 395: trace = 2.393039515556683 (5.47191e-08% change) + iteration 361: trace = 2.393039477823506 (5.68629e-08% change) linmin: converged after 4 iterations. - iteration 396: trace = 2.393039514609391 (3.95853e-08% change) - linmin: converged after 3 iterations. - iteration 397: trace = 2.39303951301477 (6.66358e-08% change) - linmin: converged after 20 iterations. - iteration 398: trace = 2.393039512204096 (3.38763e-08% change) - large trace change predicted (7.80343e-08%) + iteration 362: trace = 2.393039477423803 (1.67027e-08% change) + large trace change predicted (5.09022e-08%) linmin: converged after 2 iterations. - iteration 399: trace = 2.393039510336703 (7.80344e-08% change) - linmin: converged after 26 iterations. - iteration 400: trace = 2.393039507857176 (1.03614e-07% change) + iteration 363: trace = 2.393039476205693 (5.09022e-08% change) + linmin: converged after 6 iterations. + iteration 364: trace = 2.393039475724458 (2.01098e-08% change) + large trace change predicted (4.78648e-08%) linmin: converged after 2 iterations. - iteration 401: trace = 2.393039504890569 (1.23968e-07% change) + iteration 365: trace = 2.393039474579032 (4.78649e-08% change) + linmin: converged after 4 iterations. + iteration 366: trace = 2.393039473892123 (2.87044e-08% change) + large trace change predicted (1.10803e-07%) + linmin: converged after 25 iterations. + iteration 367: trace = 2.393039471240564 (1.10803e-07% change) linmin: converged after 4 iterations. - iteration 402: trace = 2.393039501464116 (1.43184e-07% change) + iteration 368: trace = 2.393039470114813 (4.70427e-08% change) + large trace change predicted (1.23522e-07%) linmin: converged after 4 iterations. - iteration 403: trace = 2.393039499809577 (6.91397e-08% change) - linmin: converged after 2 iterations. - iteration 404: trace = 2.393039497448843 (9.865e-08% change) + iteration 369: trace = 2.39303946715886 (1.23523e-07% change) + linmin: converged after 7 iterations. + iteration 370: trace = 2.393039465666063 (6.23808e-08% change) + linmin: converged after 7 iterations. + iteration 371: trace = 2.393039463298287 (9.89443e-08% change) linmin: converged after 3 iterations. - iteration 405: trace = 2.393039496945668 (2.10266e-08% change) - large trace change predicted (4.54251e-08%) - linmin: converged after 2 iterations. - iteration 406: trace = 2.393039495858626 (4.54252e-08% change) - linmin: converged after 2 iterations. - iteration 407: trace = 2.393039495176422 (2.85078e-08% change) + iteration 372: trace = 2.393039461315716 (8.28474e-08% change) + linmin: converged after 4 iterations. + iteration 373: trace = 2.393039458839542 (1.03474e-07% change) + linmin: converged after 7 iterations. + iteration 374: trace = 2.393039456431755 (1.00616e-07% change) + linmin: converged after 3 iterations. + iteration 375: trace = 2.393039454225644 (9.21887e-08% change) + linmin: converged after 6 iterations. + iteration 376: trace = 2.393039453514317 (2.97248e-08% change) linmin: converged after 3 iterations. - iteration 408: trace = 2.393039494649704 (2.20104e-08% change) + iteration 377: trace = 2.393039452267581 (5.20985e-08% change) linmin: converged after 4 iterations. - iteration 409: trace = 2.393039493868053 (3.26635e-08% change) + iteration 378: trace = 2.393039452042759 (9.39481e-09% change) + large trace change predicted (2.57267e-08%) + linmin: converged after 17 iterations. + iteration 379: trace = 2.39303945142711 (2.57267e-08% change) linmin: converged after 3 iterations. - iteration 410: trace = 2.393039493522389 (1.44446e-08% change) - large trace change predicted (6.70969e-08%) + iteration 380: trace = 2.393039451175092 (1.05313e-08% change) linmin: converged after 2 iterations. - iteration 411: trace = 2.393039491916734 (6.70969e-08% change) - linmin: converged after 4 iterations. - iteration 412: trace = 2.393039491319515 (2.49565e-08% change) - large trace change predicted (6.36703e-08%) + iteration 381: trace = 2.393039450802059 (1.55882e-08% change) + linmin: converged after 8 iterations. + iteration 382: trace = 2.3930394505548 (1.03324e-08% change) linmin: converged after 4 iterations. - iteration 413: trace = 2.393039489795858 (6.36704e-08% change) - linmin: converged after 6 iterations. - iteration 414: trace = 2.393039487678044 (8.84989e-08% change) + iteration 383: trace = 2.393039450358621 (8.1979e-09% change) + large trace change predicted (1.91965e-08%) linmin: converged after 4 iterations. - iteration 415: trace = 2.393039484497585 (1.32905e-07% change) - linmin: converged after 3 iterations. - iteration 416: trace = 2.393039482872291 (6.79176e-08% change) + iteration 384: trace = 2.393039449899242 (1.91965e-08% change) + linmin: converged after 15 iterations. + iteration 385: trace = 2.393039449783367 (4.84216e-09% change) linmin: converged after 3 iterations. - iteration 417: trace = 2.393039480048833 (1.17986e-07% change) + iteration 386: trace = 2.393039449563477 (9.18875e-09% change) linmin: converged after 2 iterations. - iteration 418: trace = 2.393039477503596 (1.0636e-07% change) - linmin: converged after 16 iterations. - iteration 419: trace = 2.393039475639136 (7.79118e-08% change) - resetting CG direction... + iteration 387: trace = 2.393039449390267 (7.23807e-09% change) linmin: converged after 3 iterations. - iteration 420: trace = 2.393039474206179 (5.98802e-08% change) - linmin: converged after 4 iterations. - iteration 421: trace = 2.393039473025051 (4.93568e-08% change) - large trace change predicted (1.06788e-07%) - linmin: converged after 4 iterations. - iteration 422: trace = 2.393039470469564 (1.06788e-07% change) + iteration 388: trace = 2.393039449316811 (3.06958e-09% change) linmin: converged after 2 iterations. - iteration 423: trace = 2.393039469730116 (3.08999e-08% change) - large trace change predicted (1.1525e-07%) - linmin: converged after 4 iterations. - iteration 424: trace = 2.393039466972132 (1.1525e-07% change) - linmin: converged after 33 iterations. - iteration 425: trace = 2.393039466365175 (2.53634e-08% change) - large trace change predicted (5.87761e-08%) - linmin: converged after 20 iterations. - iteration 426: trace = 2.393039464958636 (5.87763e-08% change) - linmin: converged after 4 iterations. - iteration 427: trace = 2.393039464510041 (1.87458e-08% change) + iteration 389: trace = 2.393039449189164 (5.33409e-09% change) + linmin: converged after 8 iterations. + iteration 390: trace = 2.39303944913775 (2.1485e-09% change) + large trace change predicted (5.81658e-09%) linmin: converged after 2 iterations. - iteration 428: trace = 2.393039463783371 (3.0366e-08% change) + iteration 391: trace = 2.393039448998556 (5.81658e-09% change) linmin: converged after 2 iterations. - iteration 429: trace = 2.393039463425579 (1.49514e-08% change) - linmin: converged after 4 iterations. - iteration 430: trace = 2.393039463222805 (8.47348e-09% change) - large trace change predicted (1.98327e-08%) - linmin: converged after 4 iterations. - iteration 431: trace = 2.393039462748201 (1.98327e-08% change) - linmin: converged after 27 iterations. - iteration 432: trace = 2.393039462643557 (4.37282e-09% change) - large trace change predicted (2.68203e-08%) + iteration 392: trace = 2.393039448933529 (2.71734e-09% change) linmin: converged after 2 iterations. - iteration 433: trace = 2.393039462001738 (2.68202e-08% change) - linmin: converged after 11 iterations. - iteration 434: trace = 2.393039461780953 (9.22616e-09% change) - large trace change predicted (2.79408e-08%) - linmin: converged after 3 iterations. - iteration 435: trace = 2.393039461112321 (2.79407e-08% change) - linmin: converged after 3 iterations. - iteration 436: trace = 2.393039460215512 (3.74757e-08% change) + iteration 393: trace = 2.393039448860613 (3.047e-09% change) + large trace change predicted (7.85597e-09%) linmin: converged after 2 iterations. - iteration 437: trace = 2.393039459745538 (1.96392e-08% change) - large trace change predicted (7.14002e-08%) - linmin: converged after 25 iterations. - iteration 438: trace = 2.393039458036904 (7.14002e-08% change) - linmin: converged after 22 iterations. - iteration 439: trace = 2.393039457666539 (1.54768e-08% change) - large trace change predicted (4.77735e-08%) + iteration 394: trace = 2.393039448672616 (7.85602e-09% change) linmin: converged after 2 iterations. - iteration 440: trace = 2.393039456523302 (4.77734e-08% change) - linmin: converged after 4 iterations. - iteration 441: trace = 2.393039456339768 (7.66948e-09% change) - large trace change predicted (2.03303e-08%) - linmin: converged after 3 iterations. - iteration 442: trace = 2.393039455853257 (2.03302e-08% change) - linmin: converged after 3 iterations. - iteration 443: trace = 2.393039455603808 (1.04239e-08% change) + iteration 395: trace = 2.393039448584343 (3.68872e-09% change) + large trace change predicted (1.24095e-08%) linmin: converged after 2 iterations. - iteration 444: trace = 2.39303945522596 (1.57895e-08% change) + iteration 396: trace = 2.393039448287379 (1.24095e-08% change) linmin: converged after 2 iterations. - iteration 445: trace = 2.393039454896127 (1.3783e-08% change) - linmin: converged after 16 iterations. - iteration 446: trace = 2.393039454711662 (7.70837e-09% change) - linmin: converged after 5 iterations. - iteration 447: trace = 2.393039454394383 (1.32584e-08% change) + iteration 397: trace = 2.393039448114206 (7.23653e-09% change) + linmin: converged after 12 iterations. + iteration 398: trace = 2.393039447777465 (1.40717e-08% change) linmin: converged after 3 iterations. - iteration 448: trace = 2.393039454238335 (6.52091e-09% change) + iteration 399: trace = 2.393039447260807 (2.159e-08% change) linmin: converged after 4 iterations. - iteration 449: trace = 2.393039453999304 (9.98861e-09% change) - linmin: converged after 23 iterations. - iteration 450: trace = 2.393039453869241 (5.43504e-09% change) - large trace change predicted (1.63584e-08%) + iteration 400: trace = 2.393039447023978 (9.89657e-09% change) + large trace change predicted (2.72588e-08%) linmin: converged after 2 iterations. - iteration 451: trace = 2.393039453477778 (1.63584e-08% change) + iteration 401: trace = 2.393039446371662 (2.72589e-08% change) linmin: converged after 3 iterations. - iteration 452: trace = 2.393039453348103 (5.41884e-09% change) - large trace change predicted (1.64474e-08%) + iteration 402: trace = 2.39303944604343 (1.37161e-08% change) + linmin: converged after 27 iterations. + iteration 403: trace = 2.393039445877766 (6.92272e-09% change) + large trace change predicted (1.71096e-08%) linmin: converged after 2 iterations. - iteration 453: trace = 2.393039452954508 (1.64475e-08% change) - linmin: converged after 3 iterations. - iteration 454: trace = 2.393039452819819 (5.62837e-09% change) - large trace change predicted (2.24653e-08%) - linmin: converged after 4 iterations. - iteration 455: trace = 2.39303945228222 (2.24651e-08% change) + iteration 404: trace = 2.393039445468326 (1.71096e-08% change) + linmin: converged after 17 iterations. + iteration 405: trace = 2.393039445282159 (7.77952e-09% change) linmin: converged after 19 iterations. - iteration 456: trace = 2.39303945199613 (1.19551e-08% change) - large trace change predicted (2.58022e-08%) - linmin: converged after 4 iterations. - iteration 457: trace = 2.393039451378675 (2.58021e-08% change) - linmin: converged after 3 iterations. - iteration 458: trace = 2.393039450707573 (2.80439e-08% change) - linmin: converged after 6 iterations. - iteration 459: trace = 2.393039450162363 (2.27831e-08% change) - large trace change predicted (4.81083e-08%) - linmin: converged after 3 iterations. - iteration 460: trace = 2.393039449011113 (4.81083e-08% change) - linmin: converged after 4 iterations. - iteration 461: trace = 2.393039448761103 (1.04474e-08% change) - linmin: converged after 3 iterations. - iteration 462: trace = 2.393039448275103 (2.03089e-08% change) + iteration 406: trace = 2.393039445180425 (4.25124e-09% change) linmin: converged after 2 iterations. - iteration 463: trace = 2.39303944809994 (7.31969e-09% change) + iteration 407: trace = 2.393039444986084 (8.12109e-09% change) + linmin: converged after 22 iterations. + iteration 408: trace = 2.393039444892424 (3.91388e-09% change) + linmin: converged after 8 iterations. + iteration 409: trace = 2.393039444842524 (2.0852e-09% change) + large trace change predicted (4.33608e-09%) linmin: converged after 2 iterations. - iteration 464: trace = 2.393039448016191 (3.49967e-09% change) - linmin: converged after 3 iterations. - iteration 465: trace = 2.393039447902463 (4.75244e-09% change) - linmin: converged after 3 iterations. - iteration 466: trace = 2.393039447842428 (2.50876e-09% change) + iteration 410: trace = 2.39303944473876 (4.33606e-09% change) + linmin: converged after 14 iterations. + iteration 411: trace = 2.393039444669391 (2.89878e-09% change) linmin: converged after 2 iterations. - iteration 467: trace = 2.393039447760849 (3.409e-09% change) + iteration 412: trace = 2.393039444640657 (1.20075e-09% change) + linmin: converged after 13 iterations. + iteration 413: trace = 2.393039444584755 (2.33604e-09% change) + linmin: converged after 16 iterations. + iteration 414: trace = 2.393039444521533 (2.64189e-09% change) + linmin: converged after 15 iterations. + iteration 415: trace = 2.39303944449675 (1.03564e-09% change) + linmin: converged after 5 iterations. + iteration 416: trace = 2.393039444458762 (1.58745e-09% change) + large trace change predicted (3.82381e-09%) linmin: converged after 2 iterations. - iteration 468: trace = 2.393039447613777 (6.14585e-09% change) + iteration 417: trace = 2.393039444367256 (3.82384e-09% change) + linmin: converged after 21 iterations. + iteration 418: trace = 2.393039444312882 (2.27215e-09% change) + linmin: converged after 5 iterations. + iteration 419: trace = 2.393039444266354 (1.94431e-09% change) + resetting CG direction... + linmin: converged after 5 iterations. + iteration 420: trace = 2.39303944419147 (3.12925e-09% change) + linmin: converged after 8 iterations. + iteration 421: trace = 2.393039444125095 (2.77368e-09% change) linmin: converged after 4 iterations. - iteration 469: trace = 2.39303944754306 (2.95508e-09% change) - large trace change predicted (8.63194e-09%) + iteration 422: trace = 2.393039444048886 (3.1846e-09% change) + linmin: converged after 4 iterations. + iteration 423: trace = 2.393039444009859 (1.63086e-09% change) + large trace change predicted (5.06675e-09%) linmin: converged after 2 iterations. - iteration 470: trace = 2.393039447336494 (8.63195e-09% change) - linmin: converged after 13 iterations. - iteration 471: trace = 2.393039447185928 (6.29186e-09% change) - linmin: converged after 3 iterations. - iteration 472: trace = 2.393039447053844 (5.51951e-09% change) - large trace change predicted (1.36633e-08%) - linmin: converged after 3 iterations. - iteration 473: trace = 2.393039446726879 (1.36632e-08% change) + iteration 424: trace = 2.393039443888609 (5.06678e-09% change) linmin: converged after 17 iterations. - iteration 474: trace = 2.393039446615982 (4.63413e-09% change) - large trace change predicted (1.42315e-08%) - linmin: converged after 2 iterations. - iteration 475: trace = 2.393039446275415 (1.42316e-08% change) - linmin: converged after 8 iterations. - iteration 476: trace = 2.393039446089102 (7.78561e-09% change) + iteration 425: trace = 2.393039443844474 (1.84432e-09% change) + large trace change predicted (7.0586e-09%) + linmin: converged after 11 iterations. + iteration 426: trace = 2.39303944367556 (7.05855e-09% change) + linmin: converged after 3 iterations. + iteration 427: trace = 2.393039443512567 (6.81112e-09% change) + linmin: converged after 13 iterations. + iteration 428: trace = 2.393039443391832 (5.04528e-09% change) + large trace change predicted (1.03374e-08%) + linmin: converged after 15 iterations. + iteration 429: trace = 2.393039443144452 (1.03375e-08% change) linmin: converged after 3 iterations. - iteration 477: trace = 2.393039445784855 (1.27138e-08% change) + iteration 430: trace = 2.393039442974973 (7.08215e-09% change) + linmin: converged after 21 iterations. + iteration 431: trace = 2.393039442759535 (9.00269e-09% change) + linmin: converged after 4 iterations. + iteration 432: trace = 2.393039442549347 (8.7833e-09% change) linmin: converged after 16 iterations. - iteration 478: trace = 2.39303944540156 (1.60171e-08% change) + iteration 433: trace = 2.393039442492825 (2.36197e-09% change) + large trace change predicted (5.21849e-09%) linmin: converged after 2 iterations. - iteration 479: trace = 2.393039445156301 (1.02488e-08% change) - large trace change predicted (2.74501e-08%) + iteration 434: trace = 2.393039442367944 (5.21849e-09% change) + linmin: converged after 9 iterations. + iteration 435: trace = 2.393039442344211 (9.91733e-10% change) linmin: converged after 2 iterations. - iteration 480: trace = 2.39303944449941 (2.74501e-08% change) - linmin: converged after 3 iterations. - iteration 481: trace = 2.393039444279885 (9.17349e-09% change) - large trace change predicted (3.18263e-08%) + iteration 436: trace = 2.393039442306891 (1.55956e-09% change) linmin: converged after 3 iterations. - iteration 482: trace = 2.39303944351827 (3.18262e-08% change) + iteration 437: trace = 2.393039442255245 (2.15817e-09% change) linmin: converged after 2 iterations. - iteration 483: trace = 2.393039443333255 (7.7314e-09% change) + iteration 438: trace = 2.393039442235063 (8.43347e-10% change) + large trace change predicted (3.5858e-09%) linmin: converged after 2 iterations. - iteration 484: trace = 2.393039443004228 (1.37493e-08% change) + iteration 439: trace = 2.393039442149253 (3.58582e-09% change) linmin: converged after 3 iterations. - iteration 485: trace = 2.39303944267546 (1.37385e-08% change) - linmin: converged after 7 iterations. - iteration 486: trace = 2.393039442608175 (2.81171e-09% change) - large trace change predicted (8.9904e-09%) - linmin: converged after 3 iterations. - iteration 487: trace = 2.393039442393032 (8.99037e-09% change) - linmin: converged after 4 iterations. - iteration 488: trace = 2.393039442342964 (2.09225e-09% change) - large trace change predicted (4.34127e-09%) + iteration 440: trace = 2.393039442033428 (4.8401e-09% change) linmin: converged after 3 iterations. - iteration 489: trace = 2.393039442239075 (4.34126e-09% change) - resetting CG direction... - linmin: converged after 5 iterations. - iteration 490: trace = 2.393039442184964 (2.2612e-09% change) - linmin: converged after 6 iterations. - iteration 491: trace = 2.393039442161027 (1.00029e-09% change) - large trace change predicted (5.6857e-09%) + iteration 441: trace = 2.393039441928482 (4.38546e-09% change) linmin: converged after 2 iterations. - iteration 492: trace = 2.393039442024966 (5.6857e-09% change) - linmin: converged after 9 iterations. - iteration 493: trace = 2.393039441872982 (6.35109e-09% change) - linmin: converged after 16 iterations. - iteration 494: trace = 2.393039441701082 (7.18331e-09% change) - large trace change predicted (1.56833e-08%) + iteration 442: trace = 2.393039441777547 (6.30724e-09% change) linmin: converged after 3 iterations. - iteration 495: trace = 2.393039441325779 (1.56831e-08% change) - linmin: converged after 4 iterations. - iteration 496: trace = 2.393039441211788 (4.76344e-09% change) - large trace change predicted (1.48522e-08%) + iteration 443: trace = 2.393039441623373 (6.4426e-09% change) linmin: converged after 2 iterations. - iteration 497: trace = 2.39303944085637 (1.48522e-08% change) - linmin: converged after 4 iterations. - iteration 498: trace = 2.393039440598281 (1.0785e-08% change) + iteration 444: trace = 2.393039441537549 (3.58641e-09% change) + large trace change predicted (1.33717e-08%) linmin: converged after 2 iterations. - iteration 499: trace = 2.393039440345882 (1.05472e-08% change) + iteration 445: trace = 2.39303944121756 (1.33717e-08% change) + linmin: converged after 3 iterations. + iteration 446: trace = 2.39303944105352 (6.85486e-09% change) + linmin: converged after 19 iterations. + iteration 447: trace = 2.393039440756068 (1.24299e-08% change) + large trace change predicted (2.50392e-08%) linmin: converged after 2 iterations. - iteration 500: trace = 2.393039439935951 (1.71301e-08% change) - linmin: converged after 4 iterations. - iteration 501: trace = 2.393039439851639 (3.5232e-09% change) - large trace change predicted (1.40842e-08%) + iteration 448: trace = 2.393039440156869 (2.50392e-08% change) linmin: converged after 2 iterations. - iteration 502: trace = 2.393039439514599 (1.40842e-08% change) - linmin: converged after 24 iterations. - iteration 503: trace = 2.393039439403548 (4.64057e-09% change) - linmin: converged after 4 iterations. - iteration 504: trace = 2.393039439285229 (4.94428e-09% change) - linmin: converged after 15 iterations. - iteration 505: trace = 2.39303943914652 (5.79639e-09% change) - linmin: converged after 3 iterations. - iteration 506: trace = 2.393039439086246 (2.5187e-09% change) - linmin: converged after 26 iterations. - iteration 507: trace = 2.393039438988198 (4.09721e-09% change) - linmin: converged after 21 iterations. - iteration 508: trace = 2.393039438878307 (4.59212e-09% change) - linmin: converged after 16 iterations. - iteration 509: trace = 2.393039438841224 (1.54961e-09% change) - large trace change predicted (3.22965e-09%) - linmin: converged after 5 iterations. - iteration 510: trace = 2.393039438763937 (3.22966e-09% change) + iteration 449: trace = 2.393039439820012 (1.40765e-08% change) linmin: converged after 16 iterations. - iteration 511: trace = 2.393039438733785 (1.26e-09% change) + iteration 450: trace = 2.393039439340801 (2.00252e-08% change) + linmin: converged after 10 iterations. + iteration 451: trace = 2.393039438955312 (1.61088e-08% change) + linmin: converged after 2 iterations. + iteration 452: trace = 2.393039438827531 (5.33969e-09% change) + large trace change predicted (1.86661e-08%) + linmin: converged after 12 iterations. + iteration 453: trace = 2.393039438380844 (1.86661e-08% change) linmin: converged after 4 iterations. - iteration 512: trace = 2.39303943870912 (1.03069e-09% change) + iteration 454: trace = 2.393039438294842 (3.59383e-09% change) + large trace change predicted (7.94662e-09%) + linmin: converged after 3 iterations. + iteration 455: trace = 2.393039438104675 (7.94667e-09% change) linmin: converged after 13 iterations. - iteration 513: trace = 2.39303943866326 (1.9164e-09% change) + iteration 456: trace = 2.39303943798176 (5.13634e-09% change) linmin: converged after 4 iterations. - iteration 514: trace = 2.393039438644809 (7.71029e-10% change) - large trace change predicted (5.05109e-09%) - linmin: converged after 5 iterations. - iteration 515: trace = 2.393039438523934 (5.05108e-09% change) - linmin: converged after 12 iterations. - iteration 516: trace = 2.393039438469422 (2.27797e-09% change) - large trace change predicted (7.15725e-09%) + iteration 457: trace = 2.393039437933777 (2.0051e-09% change) + large trace change predicted (4.79725e-09%) linmin: converged after 2 iterations. - iteration 517: trace = 2.393039438298146 (7.15723e-09% change) - linmin: converged after 4 iterations. - iteration 518: trace = 2.393039438014125 (1.18686e-08% change) - linmin: converged after 4 iterations. - iteration 519: trace = 2.393039437872779 (5.90657e-09% change) - linmin: converged after 4 iterations. - iteration 520: trace = 2.393039437655179 (9.09303e-09% change) - linmin: converged after 4 iterations. - iteration 521: trace = 2.393039437520089 (5.64515e-09% change) - linmin: converged after 4 iterations. - iteration 522: trace = 2.393039437297263 (9.31141e-09% change) - linmin: converged after 3 iterations. - iteration 523: trace = 2.393039437156936 (5.86396e-09% change) - linmin: converged after 24 iterations. - iteration 524: trace = 2.393039437085292 (2.99385e-09% change) + iteration 458: trace = 2.393039437818976 (4.79729e-09% change) linmin: converged after 4 iterations. - iteration 525: trace = 2.39303943695845 (5.30046e-09% change) - linmin: converged after 15 iterations. - iteration 526: trace = 2.393039436914609 (1.83202e-09% change) + iteration 459: trace = 2.393039437782989 (1.50383e-09% change) + large trace change predicted (6.61184e-09%) + linmin: converged after 12 iterations. + iteration 460: trace = 2.393039437624765 (6.61183e-09% change) + linmin: converged after 16 iterations. + iteration 461: trace = 2.393039437533492 (3.81409e-09% change) linmin: converged after 4 iterations. - iteration 527: trace = 2.393039436843865 (2.95622e-09% change) + iteration 462: trace = 2.393039437352447 (7.56552e-09% change) + linmin: converged after 2 iterations. + iteration 463: trace = 2.393039437147714 (8.55532e-09% change) linmin: converged after 6 iterations. - iteration 528: trace = 2.39303943673263 (4.64831e-09% change) - linmin: converged after 3 iterations. - iteration 529: trace = 2.393039436690799 (1.74801e-09% change) - linmin: converged after 8 iterations. - iteration 530: trace = 2.393039436620647 (2.9315e-09% change) - linmin: converged after 4 iterations. - iteration 531: trace = 2.393039436598385 (9.30289e-10% change) - large trace change predicted (2.96243e-09%) - linmin: converged after 3 iterations. - iteration 532: trace = 2.393039436527491 (2.96249e-09% change) + iteration 464: trace = 2.393039437070165 (3.24061e-09% change) + large trace change predicted (1.29905e-08%) + linmin: converged after 2 iterations. + iteration 465: trace = 2.393039436759302 (1.29903e-08% change) + linmin: converged after 18 iterations. + iteration 466: trace = 2.393039436676477 (3.46111e-09% change) + large trace change predicted (2.11811e-08%) + linmin: converged after 19 iterations. + iteration 467: trace = 2.393039436169607 (2.1181e-08% change) linmin: converged after 3 iterations. - iteration 533: trace = 2.393039436461807 (2.74481e-09% change) + iteration 468: trace = 2.393039435984464 (7.73671e-09% change) + large trace change predicted (1.60341e-08%) linmin: converged after 4 iterations. - iteration 534: trace = 2.393039436424172 (1.5727e-09% change) - large trace change predicted (6.00559e-09%) + iteration 469: trace = 2.393039435600764 (1.6034e-08% change) + linmin: converged after 24 iterations. + iteration 470: trace = 2.393039435394138 (8.63445e-09% change) + large trace change predicted (2.54597e-08%) linmin: converged after 4 iterations. - iteration 535: trace = 2.393039436280454 (6.00566e-09% change) + iteration 471: trace = 2.39303943478488 (2.54596e-08% change) + linmin: converged after 7 iterations. + iteration 472: trace = 2.393039434532759 (1.05356e-08% change) + large trace change predicted (2.96831e-08%) linmin: converged after 4 iterations. - iteration 536: trace = 2.39303943618887 (3.82708e-09% change) - linmin: converged after 3 iterations. - iteration 537: trace = 2.393039436036807 (6.35442e-09% change) + iteration 473: trace = 2.393039433822433 (2.9683e-08% change) + linmin: converged after 11 iterations. + iteration 474: trace = 2.393039433623422 (8.31628e-09% change) + large trace change predicted (1.70719e-08%) linmin: converged after 2 iterations. - iteration 538: trace = 2.393039435794245 (1.01361e-08% change) - linmin: converged after 3 iterations. - iteration 539: trace = 2.393039435700735 (3.90757e-09% change) - linmin: converged after 3 iterations. - iteration 540: trace = 2.393039435531811 (7.05899e-09% change) + iteration 475: trace = 2.393039433214883 (1.70719e-08% change) + linmin: converged after 2 iterations. + iteration 476: trace = 2.393039433158273 (2.36564e-09% change) linmin: converged after 2 iterations. - iteration 541: trace = 2.393039435466259 (2.73924e-09% change) + iteration 477: trace = 2.393039433064051 (3.93733e-09% change) + linmin: converged after 3 iterations. + iteration 478: trace = 2.393039433038224 (1.07925e-09% change) linmin: converged after 4 iterations. - iteration 542: trace = 2.39303943534544 (5.04878e-09% change) + iteration 479: trace = 2.393039432991807 (1.93967e-09% change) linmin: converged after 4 iterations. - iteration 543: trace = 2.393039435298291 (1.97027e-09% change) + iteration 480: trace = 2.393039432979565 (5.11557e-10% change) + large trace change predicted (1.44915e-09%) linmin: converged after 4 iterations. - iteration 544: trace = 2.393039435255517 (1.78742e-09% change) + iteration 481: trace = 2.393039432944886 (1.44918e-09% change) linmin: converged after 8 iterations. - iteration 545: trace = 2.39303943522729 (1.17955e-09% change) + iteration 482: trace = 2.393039432932169 (5.31395e-10% change) + large trace change predicted (1.82707e-09%) + linmin: converged after 11 iterations. + iteration 483: trace = 2.393039432888446 (1.82708e-09% change) linmin: converged after 2 iterations. - iteration 546: trace = 2.393039435188424 (1.62412e-09% change) - linmin: converged after 8 iterations. - iteration 547: trace = 2.393039435167712 (8.65505e-10% change) - linmin: converged after 9 iterations. - iteration 548: trace = 2.39303943512799 (1.65992e-09% change) - large trace change predicted (3.40801e-09%) - linmin: converged after 4 iterations. - iteration 549: trace = 2.393039435046433 (3.40809e-09% change) - linmin: converged after 4 iterations. - iteration 550: trace = 2.393039435014659 (1.32774e-09% change) - large trace change predicted (6.842e-09%) - linmin: converged after 23 iterations. - iteration 551: trace = 2.393039434850928 (6.842e-09% change) + iteration 484: trace = 2.39303943285282 (1.48874e-09% change) linmin: converged after 2 iterations. - iteration 552: trace = 2.393039434782558 (2.85703e-09% change) - large trace change predicted (8.70625e-09%) - linmin: converged after 5 iterations. - iteration 553: trace = 2.393039434574214 (8.70625e-09% change) - linmin: converged after 4 iterations. - iteration 554: trace = 2.393039434517141 (2.38494e-09% change) - large trace change predicted (5.79028e-09%) + iteration 485: trace = 2.39303943280854 (1.85037e-09% change) linmin: converged after 2 iterations. - iteration 555: trace = 2.393039434378577 (5.7903e-09% change) - linmin: converged after 21 iterations. - iteration 556: trace = 2.393039434298211 (3.35832e-09% change) - large trace change predicted (7.26483e-09%) - linmin: converged after 4 iterations. - iteration 557: trace = 2.393039434124362 (7.26478e-09% change) - linmin: converged after 3 iterations. - iteration 558: trace = 2.393039433935333 (7.89913e-09% change) - large trace change predicted (1.666e-08%) + iteration 486: trace = 2.393039432766527 (1.75564e-09% change) + large trace change predicted (3.80182e-09%) linmin: converged after 3 iterations. - iteration 559: trace = 2.39303943353665 (1.66601e-08% change) - resetting CG direction... - linmin: converged after 14 iterations. - iteration 560: trace = 2.393039433352452 (7.69724e-09% change) - linmin: converged after 3 iterations. - iteration 561: trace = 2.393039433201853 (6.29321e-09% change) - linmin: converged after 3 iterations. - iteration 562: trace = 2.39303943305918 (5.96198e-09% change) - linmin: converged after 3 iterations. - iteration 563: trace = 2.393039433019592 (1.65429e-09% change) - large trace change predicted (3.65671e-09%) - linmin: converged after 2 iterations. - iteration 564: trace = 2.393039432932085 (3.65674e-09% change) - linmin: converged after 2 iterations. - iteration 565: trace = 2.393039432890817 (1.72448e-09% change) + iteration 487: trace = 2.39303943267555 (3.80175e-09% change) linmin: converged after 4 iterations. - iteration 566: trace = 2.393039432826563 (2.68503e-09% change) - linmin: converged after 2 iterations. - iteration 567: trace = 2.393039432795364 (1.30374e-09% change) - linmin: converged after 3 iterations. - iteration 568: trace = 2.393039432748506 (1.95812e-09% change) + iteration 488: trace = 2.39303943257956 (4.01121e-09% change) + linmin: converged after 4 iterations. + iteration 489: trace = 2.393039432538017 (1.73598e-09% change) + resetting CG direction... linmin: converged after 5 iterations. - iteration 569: trace = 2.393039432732972 (6.49143e-10% change) + iteration 490: trace = 2.393039432499783 (1.59773e-09% change) linmin: converged after 4 iterations. - iteration 570: trace = 2.393039432704891 (1.17345e-09% change) - linmin: converged after 3 iterations. - iteration 571: trace = 2.393039432689627 (6.37841e-10% change) + iteration 491: trace = 2.393039432433345 (2.77628e-09% change) linmin: converged after 4 iterations. - iteration 572: trace = 2.393039432677676 (4.99383e-10% change) + iteration 492: trace = 2.393039432398554 (1.45385e-09% change) + linmin: converged after 15 iterations. + iteration 493: trace = 2.393039432377303 (8.88034e-10% change) linmin: converged after 4 iterations. - iteration 573: trace = 2.393039432665824 (4.95264e-10% change) + iteration 494: trace = 2.39303943233806 (1.63986e-09% change) linmin: converged after 2 iterations. - iteration 574: trace = 2.393039432659203 (2.76711e-10% change) - linmin: converged after 4 iterations. - iteration 575: trace = 2.393039432647236 (5.00051e-10% change) - linmin: converged after 4 iterations. - iteration 576: trace = 2.393039432638745 (3.54839e-10% change) - large trace change predicted (7.3409e-10%) - linmin: converged after 7 iterations. - iteration 577: trace = 2.39303943262118 (7.34006e-10% change) + iteration 495: trace = 2.39303943232193 (6.74047e-10% change) linmin: converged after 15 iterations. - iteration 578: trace = 2.393039432603238 (7.49725e-10% change) - linmin: converged after 17 iterations. - iteration 579: trace = 2.393039432570474 (1.36914e-09% change) - linmin: converged after 18 iterations. - iteration 580: trace = 2.393039432553994 (6.8867e-10% change) - large trace change predicted (2.12314e-09%) - linmin: converged after 3 iterations. - iteration 581: trace = 2.393039432503187 (2.12313e-09% change) - linmin: converged after 13 iterations. - iteration 582: trace = 2.393039432480832 (9.34186e-10% change) - linmin: converged after 4 iterations. - iteration 583: trace = 2.393039432452084 (1.2013e-09% change) - linmin: converged after 4 iterations. - iteration 584: trace = 2.393039432424392 (1.15719e-09% change) - linmin: converged after 3 iterations. - iteration 585: trace = 2.393039432407845 (6.91435e-10% change) + iteration 496: trace = 2.39303943230273 (8.02317e-10% change) linmin: converged after 2 iterations. - iteration 586: trace = 2.393039432382961 (1.03985e-09% change) - linmin: converged after 7 iterations. - iteration 587: trace = 2.393039432366514 (6.87316e-10% change) + iteration 497: trace = 2.393039432281708 (8.78495e-10% change) + linmin: converged after 16 iterations. + iteration 498: trace = 2.393039432275607 (2.54925e-10% change) + large trace change predicted (1.0031e-09%) linmin: converged after 3 iterations. - iteration 588: trace = 2.393039432345494 (8.78384e-10% change) - linmin: converged after 14 iterations. - iteration 589: trace = 2.393039432339349 (2.56762e-10% change) - large trace change predicted (5.89427e-10%) + iteration 499: trace = 2.393039432251603 (1.00309e-09% change) linmin: converged after 3 iterations. - iteration 590: trace = 2.39303943232524 (5.89573e-10% change) - linmin: converged after 9 iterations. - iteration 591: trace = 2.393039432320826 (1.84462e-10% change) - large trace change predicted (3.69118e-10%) - linmin: converged after 6 iterations. - iteration 592: trace = 2.393039432311989 (3.69276e-10% change) + iteration 500: trace = 2.393039432229169 (9.37471e-10% change) + linmin: converged after 10 iterations. + iteration 501: trace = 2.393039432210744 (7.69952e-10% change) + large trace change predicted (1.71412e-09%) linmin: converged after 3 iterations. - iteration 593: trace = 2.393039432305279 (2.80423e-10% change) + iteration 502: trace = 2.393039432169723 (1.71416e-09% change) linmin: converged after 3 iterations. - iteration 594: trace = 2.393039432295434 (4.11365e-10% change) + iteration 503: trace = 2.393039432159248 (4.37735e-10% change) + large trace change predicted (1.46647e-09%) linmin: converged after 4 iterations. - iteration 595: trace = 2.393039432281389 (5.86938e-10% change) - linmin: converged after 6 iterations. - iteration 596: trace = 2.393039432276467 (2.05692e-10% change) - large trace change predicted (7.85524e-10%) - linmin: converged after 3 iterations. - iteration 597: trace = 2.39303943225767 (7.85485e-10% change) - linmin: converged after 9 iterations. - iteration 598: trace = 2.393039432252615 (2.11222e-10% change) - large trace change predicted (8.39976e-10%) + iteration 504: trace = 2.393039432124154 (1.46649e-09% change) linmin: converged after 3 iterations. - iteration 599: trace = 2.393039432232515 (8.39951e-10% change) - linmin: converged after 6 iterations. - iteration 600: trace = 2.393039432226268 (2.6103e-10% change) - large trace change predicted (9.03088e-10%) - linmin: converged after 2 iterations. - iteration 601: trace = 2.39303943220466 (9.02936e-10% change) + iteration 505: trace = 2.393039432097433 (1.11661e-09% change) + linmin: converged after 4 iterations. + iteration 506: trace = 2.393039432057936 (1.65051e-09% change) linmin: converged after 3 iterations. - iteration 602: trace = 2.393039432189016 (6.53764e-10% change) - linmin: converged after 2 iterations. - iteration 603: trace = 2.393039432166445 (9.43168e-10% change) + iteration 507: trace = 2.3930394319977 (2.51714e-09% change) + linmin: converged after 12 iterations. + iteration 508: trace = 2.393039431978892 (7.8593e-10% change) + large trace change predicted (1.99834e-09%) + linmin: converged after 4 iterations. + iteration 509: trace = 2.39303943193107 (1.99837e-09% change) linmin: converged after 3 iterations. - iteration 604: trace = 2.39303943213833 (1.17488e-09% change) - linmin: converged after 2 iterations. - iteration 605: trace = 2.393039432120859 (7.30091e-10% change) - linmin: converged after 7 iterations. - iteration 606: trace = 2.393039432093853 (1.1285e-09% change) - linmin: converged after 7 iterations. - iteration 607: trace = 2.393039432086923 (2.8959e-10% change) - linmin: converged after 2 iterations. - iteration 608: trace = 2.393039432075805 (4.64607e-10% change) - linmin: converged after 7 iterations. - iteration 609: trace = 2.393039432071387 (1.84592e-10% change) + iteration 510: trace = 2.393039431919909 (4.66425e-10% change) + linmin: converged after 4 iterations. + iteration 511: trace = 2.393039431900747 (8.00739e-10% change) + linmin: converged after 9 iterations. + iteration 512: trace = 2.393039431890202 (4.4063e-10% change) linmin: converged after 5 iterations. - iteration 610: trace = 2.393039432065358 (2.51974e-10% change) - linmin: converged after 2 iterations. - iteration 611: trace = 2.393039432062455 (1.21292e-10% change) + iteration 513: trace = 2.393039431882619 (3.1687e-10% change) linmin: converged after 3 iterations. - iteration 612: trace = 2.393039432060148 (9.63879e-11% change) -Finished solving for bands 2 to 10 after 612 iterations. + iteration 514: trace = 2.393039431875404 (3.01523e-10% change) + linmin: converged after 16 iterations. + iteration 515: trace = 2.393039431873212 (9.16e-11% change) +Finished solving for bands 2 to 10 after 515 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: 23.18514633178711 -Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.21564852630526718 at Vector3<0.5, 0.5, 0.0> -Band 2 range: 0.26588497856380056 at Vector3<0.0, 0.0, 0.0> to 0.35463024054718184 at Vector3<0.33333333333333337, 0.33333333333333337, 0.0> -Band 3 range: 0.3562142355910895 at Vector3<0.16666666666666669, 0.16666666666666669, 0.0> to 0.36527833517897584 at Vector3<0.5, 0.0, 0.0> -Band 4 range: 0.3689901366641175 at Vector3<0.0, 0.0, 0.0> to 0.4807484678399721 at Vector3<0.5, 0.5, 0.0> -Band 5 range: 0.47790148242229874 at Vector3<0.5, 0.0, 0.0> to 0.5073352894259889 at Vector3<0.5, 0.5, 0.0> -Band 6 range: 0.5065518587490182 at Vector3<0.0, 0.0, 0.0> to 0.5125343692374184 at Vector3<0.5, 0.5, 0.0> -Band 7 range: 0.5090758743995514 at Vector3<0.5, 0.0, 0.0> to 0.6079200818062316 at Vector3<0.5, 0.5, 0.0> -Band 8 range: 0.6150518764858982 at Vector3<0.5, 0.3333333333333333, 0.0> to 0.6356807846306177 at Vector3<0.0, 0.0, 0.0> -Band 9 range: 0.6397097609322201 at Vector3<0.5, 0.0, 0.0> to 0.6489078359306725 at Vector3<0.5, 0.5, 0.0> -Band 10 range: 0.6468898905225952 at Vector3<0.5, 0.0, 0.0> to 0.6600163337642775 at Vector3<0.0, 0.0, 0.0> -Gap from band 1 (0.21564852630526718) to band 2 (0.26588497856380056), 20.865194945133887% -Gap from band 2 (0.35463024054718184) to band 3 (0.3562142355910895), 0.4456657108775355% -Gap from band 3 (0.36527833517897584) to band 4 (0.3689901366641175), 1.0110202541652482% -Gap from band 7 (0.6079200818062316) to band 8 (0.6150518764858982), 1.1663055119638421% -Gap from band 8 (0.6356807846306177) to band 9 (0.6397097609322201), 0.6318027549474047% -total elapsed time for run: 295.33319568634033 +.elapsed time for k point: 28.194048404693604 +Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2156485263047123 at Vector3<0.5, 0.5, 0.0> +Band 2 range: 0.2658849785507374 at Vector3<0.0, 0.0, 0.0> to 0.35463024054800957 at Vector3<0.33333333333333337, 0.33333333333333337, 0.0> +Band 3 range: 0.3562142355935957 at Vector3<0.16666666666666669, 0.16666666666666669, 0.0> to 0.3652783351762774 at Vector3<0.5, 0.0, 0.0> +Band 4 range: 0.3689901366681736 at Vector3<0.0, 0.0, 0.0> to 0.4807484678409845 at Vector3<0.5, 0.5, 0.0> +Band 5 range: 0.47790148240035596 at Vector3<0.5, 0.0, 0.0> to 0.5073352894260384 at Vector3<0.5, 0.5, 0.0> +Band 6 range: 0.5065518587494999 at Vector3<0.0, 0.0, 0.0> to 0.512534369237484 at Vector3<0.5, 0.5, 0.0> +Band 7 range: 0.5090758743986068 at Vector3<0.5, 0.0, 0.0> to 0.6079200818047437 at Vector3<0.5, 0.5, 0.0> +Band 8 range: 0.6150518764821594 at Vector3<0.5, 0.3333333333333333, 0.0> to 0.6356807846058827 at Vector3<0.0, 0.0, 0.0> +Band 9 range: 0.6397097609337948 at Vector3<0.5, 0.0, 0.0> to 0.6489078359289527 at Vector3<0.5, 0.5, 0.0> +Band 10 range: 0.6468898905885455 at Vector3<0.5, 0.0, 0.0> to 0.6600163330550366 at Vector3<0.0, 0.0, 0.0> +Gap from band 1 (0.2156485263047123) to band 2 (0.2658849785507374), 20.86519494052878% +Gap from band 2 (0.35463024054800957) to band 3 (0.3562142355935957), 0.44566571134769783% +Gap from band 3 (0.3652783351762774) to band 4 (0.3689901366681736), 1.0110202560031805% +Gap from band 7 (0.6079200818047437) to band 8 (0.6150518764821594), 1.166305511600729% +Gap from band 8 (0.6356807846058827) to band 9 (0.6397097609337948), 0.6318027590846308% +total elapsed time for run: 748.3066322803497 done -/tmp/meepNmMUdV/test_hermitian_eps-0: 295.34s +/tmp/meep1SOGmO/test_hermitian_eps-0: 748.32s -/tmp/meepNmMUdV/test_hole_slab-0 +/tmp/meep1SOGmO/test_hole_slab-0 ======================== Initializing eigensolver data Computing 9 bands with 1e-12 tolerance @@ -46499,7 +42689,7 @@ Initializing fields to random numbers... 1 k-points Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> -elapsed time for initialization: 0.36353182792663574 +elapsed time for initialization: 0.9676346778869629 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... @@ -46568,17 +42758,17 @@ iteration 31: trace = 2.187958069704338 (9.32646e-11% change) Finished solving for bands 1 to 9 after 31 iterations. zevenfreqs:, 1, -0.333333, 0.333333, 0, 0.666667, 0.265718, 0.356033, 0.35608, 0.513443, 0.529044, 0.529286, 0.586884, 0.587044, 0.59253 -elapsed time for k point: 70.33624815940857 -total elapsed time for run: 70.69995927810669 +elapsed time for k point: 133.25711512565613 +total elapsed time for run: 134.22504043579102 done Fixing h-field (band 9) phase by 0.0246538 + 0.999696i; max ampl. = 2.37913 -FOutputting fields to /tmp/meepNmMUdV/test_hole_slab-0-h.k01.b09.z.zeven.h5... +FOutputting fields to /tmp/meep1SOGmO/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 = 2.280643847680861 s -/tmp/meepNmMUdV/test_hole_slab-0: 70.84s +mean time per iteration = 4.329840014057774 s +/tmp/meep1SOGmO/test_hole_slab-0: 134.45s -/tmp/meepNmMUdV/test_honey_rods-0 +/tmp/meep1SOGmO/test_honey_rods-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -46623,7 +42813,7 @@ 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: 0.009419679641723633 +elapsed time for initialization: 0.002899646759033203 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... @@ -46709,7 +42899,7 @@ iteration 38: trace = 4.384870359114359 (2.58866e-11% change) Finished solving for bands 2 to 8 after 38 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.429848, 0.72559, 0.725871, 0.769398, 0.785279, 0.785658, 1.14928 -elapsed time for k point: 0.7747917175292969 +elapsed time for k point: 0.9125642776489258 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -46783,7 +42973,7 @@ iteration 34: trace = 4.363900038828969 (4.22729e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tmfreqs:, 2, 0, 0.1, 0, 0.11547, 0.0718091, 0.426256, 0.719077, 0.721195, 0.746706, 0.789405, 0.817423, 1.1362 -elapsed time for k point: 1.0981969833374023 +elapsed time for k point: 1.0112786293029785 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -46822,7 +43012,7 @@ iteration 17: trace = 4.325994457593165 (2.52944e-11% change) Finished solving for bands 1 to 8 after 17 iterations. tmfreqs:, 3, 0, 0.2, 0, 0.23094, 0.141741, 0.415465, 0.686677, 0.711385, 0.749716, 0.79757, 0.853936, 1.10829 -elapsed time for k point: 0.3369443416595459 +elapsed time for k point: 0.4985017776489258 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -46859,7 +43049,7 @@ iteration 16: trace = 4.298080976434063 (6.73664e-12% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 4, 0, 0.3, 0, 0.34641, 0.20751, 0.397084, 0.652562, 0.701411, 0.762486, 0.805503, 0.884623, 1.08016 -elapsed time for k point: 0.3299224376678467 +elapsed time for k point: 0.47034263610839844 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -46894,7 +43084,7 @@ iteration 15: trace = 4.286087121421343 (1.84429e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 5, 0, 0.4, 0, 0.46188, 0.265341, 0.370741, 0.628064, 0.694375, 0.774438, 0.810881, 0.90516, 1.06067 -elapsed time for k point: 0.4084458351135254 +elapsed time for k point: 0.464827299118042 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -46925,7 +43115,7 @@ iteration 13: trace = 4.283886820302826 (6.60968e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 6, 0, 0.5, 0, 0.57735, 0.29861, 0.348622, 0.619112, 0.691863, 0.779379, 0.812758, 0.912256, 1.05404 -elapsed time for k point: 0.24545574188232422 +elapsed time for k point: 0.37899351119995117 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -46954,7 +43144,7 @@ iteration 12: trace = 4.287889499871684 (9.82448e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.300268, 0.34895, 0.613584, 0.697444, 0.77731, 0.813624, 0.911843, 1.05612 -elapsed time for k point: 0.39058613777160645 +elapsed time for k point: 0.4006612300872803 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -46987,7 +43177,7 @@ iteration 14: trace = 4.299904770939231 (1.5843e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.305133, 0.349455, 0.601266, 0.710158, 0.771875, 0.815569, 0.910763, 1.06226 -elapsed time for k point: 0.23188138008117676 +elapsed time for k point: 0.4739384651184082 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -47020,7 +43210,7 @@ iteration 14: trace = 4.319879224622893 (9.38781e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.312896, 0.348732, 0.588291, 0.724572, 0.764453, 0.817539, 0.909459, 1.0721 -elapsed time for k point: 0.20054125785827637 +elapsed time for k point: 3.1089906692504883 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -47057,7 +43247,7 @@ iteration 16: trace = 4.347482286295499 (5.02571e-12% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.323089, 0.344682, 0.578717, 0.737675, 0.756131, 0.818898, 0.9085, 1.08513 -elapsed time for k point: 0.6272163391113281 +elapsed time for k point: 0.2725517749786377 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -47122,7 +43312,7 @@ iteration 28: trace = 4.381215657475528 (1.3096e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tmfreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.335117, 0.335185, 0.575171, 0.747622, 0.747877, 0.819365, 0.908267, 1.10053 -elapsed time for k point: 0.3774714469909668 +elapsed time for k point: 0.5672314167022705 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -47157,7 +43347,7 @@ iteration 15: trace = 4.322737319376866 (1.86153e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.29626, 0.362261, 0.589196, 0.732899, 0.756464, 0.817346, 0.906977, 1.07543 -elapsed time for k point: 0.3299226760864258 +elapsed time for k point: 0.3197929859161377 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -47188,7 +43378,7 @@ iteration 13: trace = 4.30085149140595 (6.07146e-12% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 13, -0.2, 0.2, 0, 0.4, 0.235812, 0.389044, 0.624419, 0.723246, 0.753158, 0.811064, 0.894195, 1.07529 -elapsed time for k point: 0.2559182643890381 +elapsed time for k point: 0.2859971523284912 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -47219,7 +43409,7 @@ iteration 13: trace = 4.317112896788794 (5.00757e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.162664, 0.41101, 0.66948, 0.720558, 0.745707, 0.801251, 0.86394, 1.09993 -elapsed time for k point: 0.2491765022277832 +elapsed time for k point: 0.30681848526000977 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -47256,7 +43446,7 @@ iteration 16: trace = 4.358297516212387 (8.2535e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0828005, 0.425068, 0.71283, 0.723369, 0.744337, 0.790724, 0.823156, 1.13248 -elapsed time for k point: 0.33191704750061035 +elapsed time for k point: 0.4402778148651123 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -47457,7 +43647,7 @@ iteration 93: trace = 4.3848703591062 (1.54347e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.429848, 0.72559, 0.725871, 0.769398, 0.785279, 0.785658, 1.14928 -elapsed time for k point: 1.3839027881622314 +elapsed time for k point: 1.8894038200378418 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.3351167660354988 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.3351850759916969 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.42984811237816406 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.5751709345431458 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7255897672261726 at Vector3<0.0, 0.0, 0.0> @@ -47470,7 +43660,7 @@ Gap from band 2 (0.42984811237816406) to band 3 (0.5751709345431458), 28.91941652452287% Gap from band 5 (0.7793792212092526) to band 6 (0.7852786984418488), 0.7540916335133131% Gap from band 7 (0.9122560439014189) to band 8 (1.0540350508135103), 14.420958045649535% -total elapsed time for run: 7.58844256401062 +total elapsed time for run: 11.835395336151123 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -47514,7 +43704,7 @@ 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: 0.005959033966064453 +elapsed time for initialization: 0.0030837059020996094 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... @@ -47716,7 +43906,7 @@ iteration 91: trace = 6.466405545431552 (3.70028e-11% change) Finished solving for bands 2 to 8 after 91 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.727845, 0.788088, 0.920961, 0.922085, 1.01687, 1.01845, 1.24334 -elapsed time for k point: 1.196976661682129 +elapsed time for k point: 1.6651999950408936 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -47821,7 +44011,7 @@ iteration 50: trace = 6.367909049127847 (9.15808e-11% change) Finished solving for bands 1 to 8 after 50 iterations. tefreqs:, 2, 0, 0.1, 0, 0.11547, 0.10214, 0.723854, 0.784332, 0.900771, 0.902155, 1.03144, 1.03948, 1.2036 -elapsed time for k point: 0.9572806358337402 +elapsed time for k point: 3.738722562789917 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 9 iterations. @@ -47878,7 +44068,7 @@ iteration 26: trace = 6.307408527722556 (7.91663e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0, 0.2, 0, 0.23094, 0.203735, 0.707761, 0.769484, 0.867508, 0.869257, 1.05383, 1.07964, 1.17834 -elapsed time for k point: 0.5109224319458008 +elapsed time for k point: 0.763422966003418 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -47935,7 +44125,7 @@ iteration 26: trace = 6.281971560075125 (8.25125e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 4, 0, 0.3, 0, 0.34641, 0.304067, 0.663675, 0.75048, 0.840899, 0.85049, 1.07273, 1.11526, 1.16655 -elapsed time for k point: 0.4793858528137207 +elapsed time for k point: 0.7059409618377686 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -48002,7 +44192,7 @@ iteration 31: trace = 6.282671766119807 (5.94459e-11% change) Finished solving for bands 1 to 8 after 31 iterations. tefreqs:, 5, 0, 0.4, 0, 0.46188, 0.401691, 0.590457, 0.741009, 0.822518, 0.84569, 1.08497, 1.13738, 1.16665 -elapsed time for k point: 0.6738970279693604 +elapsed time for k point: 0.8721532821655273 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -48085,7 +44275,7 @@ iteration 39: trace = 6.294405703268611 (7.72979e-11% change) Finished solving for bands 1 to 8 after 39 iterations. tefreqs:, 6, 0, 0.5, 0, 0.57735, 0.478396, 0.520318, 0.738393, 0.816173, 0.844859, 1.08909, 1.14451, 1.17202 -elapsed time for k point: 0.8464481830596924 +elapsed time for k point: 1.0651216506958008 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -48150,7 +44340,7 @@ iteration 30: trace = 6.296467689265774 (7.74559e-11% change) Finished solving for bands 1 to 8 after 30 iterations. tefreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.48205, 0.522761, 0.727295, 0.819868, 0.844497, 1.09131, 1.14544, 1.17197 -elapsed time for k point: 0.5963494777679443 +elapsed time for k point: 0.8377578258514404 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -48221,7 +44411,7 @@ iteration 33: trace = 6.301845550822877 (4.12952e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.492796, 0.529981, 0.69937, 0.826669, 0.843482, 1.09673, 1.14811, 1.17183 -elapsed time for k point: 1.4247705936431885 +elapsed time for k point: 4.504498243331909 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -48294,7 +44484,7 @@ iteration 34: trace = 6.309184046353364 (7.8975e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.510012, 0.541662, 0.661523, 0.832379, 0.841947, 1.10264, 1.15222, 1.1717 -elapsed time for k point: 0.9496841430664062 +elapsed time for k point: 0.991194486618042 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -48369,7 +44559,7 @@ iteration 35: trace = 6.318322876593963 (6.69966e-11% change) Finished solving for bands 1 to 8 after 35 iterations. tefreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.532564, 0.557306, 0.617759, 0.836201, 0.840118, 1.10684, 1.15685, 1.1722 -elapsed time for k point: 0.5867328643798828 +elapsed time for k point: 0.9711074829101562 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -48526,7 +44716,7 @@ iteration 72: trace = 6.329316110445689 (8.94308e-11% change) Finished solving for bands 1 to 8 after 72 iterations. tefreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.553509, 0.57602, 0.576336, 0.838242, 0.838556, 1.10835, 1.15937, 1.17498 -elapsed time for k point: 1.1159732341766357 +elapsed time for k point: 1.7957634925842285 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -48737,7 +44927,7 @@ iteration 101: trace = 6.29859486165409 (6.32722e-11% change) Finished solving for bands 1 to 8 after 101 iterations. tefreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.461593, 0.620594, 0.628556, 0.836746, 0.840202, 1.10228, 1.15102, 1.16591 -elapsed time for k point: 1.181386947631836 +elapsed time for k point: 2.6810975074768066 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -48792,7 +44982,7 @@ iteration 25: trace = 6.28260855311304 (8.70845e-11% change) Finished solving for bands 1 to 8 after 25 iterations. tefreqs:, 13, -0.2, 0.2, 0, 0.4, 0.350141, 0.666671, 0.698454, 0.841979, 0.843343, 1.08599, 1.12874, 1.16367 -elapsed time for k point: 0.19170093536376953 +elapsed time for k point: 1.5113239288330078 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -48845,7 +45035,7 @@ iteration 24: trace = 6.296830790289763 (6.42067e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.234979, 0.703081, 0.756416, 0.858378, 0.861716, 1.0625, 1.09087, 1.1734 -elapsed time for k point: 0.36363816261291504 +elapsed time for k point: 0.598625898361206 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -48902,7 +45092,7 @@ iteration 26: trace = 6.356049883130337 (5.77395e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.117907, 0.722467, 0.782825, 0.895483, 0.896999, 1.03533, 1.04486, 1.19885 -elapsed time for k point: 0.4225285053253174 +elapsed time for k point: 0.665442705154419 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. @@ -49051,7 +45241,7 @@ iteration 67: trace = 6.466405545350629 (9.26307e-11% change) Finished solving for bands 2 to 8 after 67 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.727845, 0.788088, 0.920961, 0.922085, 1.01687, 1.01845, 1.24334 -.elapsed time for k point: 0.39818263053894043 +.elapsed time for k point: 1.3630104064941406 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.5535093489972591 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.5203183590840936 at Vector3<0.0, 0.5, 0.0> to 0.7278447515454928 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.5763358596513117 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7880878930618376 at Vector3<0.0, 0.0, 0.0> @@ -49063,11 +45253,11 @@ Gap from band 3 (0.7880878930618376) to band 4 (0.8161730293674928), 3.5013177610941177% Gap from band 5 (0.9220849425898029) to band 6 (1.016865668391553), 9.776497169649813% Gap from band 7 (1.1593702273707196) to band 8 (1.1636719050364384), 0.370348656678157% -total elapsed time for run: 11.904525518417358 +total elapsed time for run: 24.735740900039673 done -/tmp/meepNmMUdV/test_honey_rods-0: 19.50s +/tmp/meep1SOGmO/test_honey_rods-0: 36.61s -/tmp/meepNmMUdV/test_line_defect-0 +/tmp/meep1SOGmO/test_line_defect-0 ======================== Initializing eigensolver data Computing 12 bands with 1e-12 tolerance @@ -49114,7 +45304,7 @@ Vector3<0.30000000000000016, 1.0500000000000003, 0.0> Vector3<0.4000000000000002, 1.4000000000000004, 0.0> Vector3<0.5000000000000002, 1.7500000000000004, 0.0> -elapsed time for initialization: 0.03427720069885254 +elapsed time for initialization: 0.07678651809692383 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... @@ -49311,7 +45501,7 @@ 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: 8.747718095779419 +elapsed time for k point: 18.94722270965576 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 @@ -49324,18 +45514,18 @@ 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/meepNmMUdV/test_line_defect-0-e.k01.b01.z.tm.h5... -Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k01.b02.z.tm.h5... -Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k01.b03.z.tm.h5... -Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k01.b04.z.tm.h5... -Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k01.b05.z.tm.h5... -Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k01.b06.z.tm.h5... -Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k01.b07.z.tm.h5... -Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k01.b08.z.tm.h5... -Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k01.b09.z.tm.h5... -Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k01.b10.z.tm.h5... -Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k01.b11.z.tm.h5... -Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k01.b12.z.tm.h5... +Outputting fields to /tmp/meep1SOGmO/test_line_defect-0-e.k01.b01.z.tm.h5... +Outputting fields to /tmp/meep1SOGmO/test_line_defect-0-e.k01.b02.z.tm.h5... +Outputting fields to /tmp/meep1SOGmO/test_line_defect-0-e.k01.b03.z.tm.h5... +Outputting fields to /tmp/meep1SOGmO/test_line_defect-0-e.k01.b04.z.tm.h5... +Outputting fields to /tmp/meep1SOGmO/test_line_defect-0-e.k01.b05.z.tm.h5... +Outputting fields to /tmp/meep1SOGmO/test_line_defect-0-e.k01.b06.z.tm.h5... +Outputting fields to /tmp/meep1SOGmO/test_line_defect-0-e.k01.b07.z.tm.h5... +Outputting fields to /tmp/meep1SOGmO/test_line_defect-0-e.k01.b08.z.tm.h5... +Outputting fields to /tmp/meep1SOGmO/test_line_defect-0-e.k01.b09.z.tm.h5... +Outputting fields to /tmp/meep1SOGmO/test_line_defect-0-e.k01.b10.z.tm.h5... +Outputting fields to /tmp/meep1SOGmO/test_line_defect-0-e.k01.b11.z.tm.h5... +Outputting fields to /tmp/meep1SOGmO/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. @@ -49433,7 +45623,7 @@ 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: 4.618775844573975 +elapsed time for k point: 8.5183424949646 Fixing e-field (band 1) phase by -1 + 2.71662e-09i; max ampl. = 0.279221 Fixing e-field (band 2) phase by 0.0662269 + 0.997805i; max ampl. = 0.368961 Fixing e-field (band 3) phase by 1 + -3.08243e-07i; max ampl. = 0.357513 @@ -49446,18 +45636,18 @@ Fixing e-field (band 10) phase by 1 + 8.06373e-05i; max ampl. = 0.50134 Fixing e-field (band 11) phase by 2.03311e-05 + 1i; max ampl. = 0.518018 Fixing e-field (band 12) phase by -0.000314767 + -1i; max ampl. = 0.377816 -Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k02.b01.z.tm.h5... -Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k02.b02.z.tm.h5... -Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k02.b03.z.tm.h5... -Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k02.b04.z.tm.h5... -Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k02.b05.z.tm.h5... -Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k02.b06.z.tm.h5... -Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k02.b07.z.tm.h5... -Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k02.b08.z.tm.h5... -Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k02.b09.z.tm.h5... -Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k02.b10.z.tm.h5... -Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k02.b11.z.tm.h5... -Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k02.b12.z.tm.h5... +Outputting fields to /tmp/meep1SOGmO/test_line_defect-0-e.k02.b01.z.tm.h5... +Outputting fields to /tmp/meep1SOGmO/test_line_defect-0-e.k02.b02.z.tm.h5... +Outputting fields to /tmp/meep1SOGmO/test_line_defect-0-e.k02.b03.z.tm.h5... +Outputting fields to /tmp/meep1SOGmO/test_line_defect-0-e.k02.b04.z.tm.h5... +Outputting fields to /tmp/meep1SOGmO/test_line_defect-0-e.k02.b05.z.tm.h5... +Outputting fields to /tmp/meep1SOGmO/test_line_defect-0-e.k02.b06.z.tm.h5... +Outputting fields to /tmp/meep1SOGmO/test_line_defect-0-e.k02.b07.z.tm.h5... +Outputting fields to /tmp/meep1SOGmO/test_line_defect-0-e.k02.b08.z.tm.h5... +Outputting fields to /tmp/meep1SOGmO/test_line_defect-0-e.k02.b09.z.tm.h5... +Outputting fields to /tmp/meep1SOGmO/test_line_defect-0-e.k02.b10.z.tm.h5... +Outputting fields to /tmp/meep1SOGmO/test_line_defect-0-e.k02.b11.z.tm.h5... +Outputting fields to /tmp/meep1SOGmO/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. @@ -49547,7 +45737,7 @@ 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: 4.677049160003662 +elapsed time for k point: 7.399000644683838 Fixing e-field (band 1) phase by 1 + -6.65617e-16i; max ampl. = 0.316626 Fixing e-field (band 2) phase by 6.78641e-12 + 1i; max ampl. = 0.383063 Fixing e-field (band 3) phase by 1 + -1.04398e-14i; max ampl. = 0.3761 @@ -49560,18 +45750,18 @@ Fixing e-field (band 10) phase by -1 + 3.8366e-10i; max ampl. = 0.454743 Fixing e-field (band 11) phase by 4.81344e-08 + 1i; max ampl. = 0.493615 Fixing e-field (band 12) phase by -1.96432e-06 + -1i; max ampl. = 0.473136 -Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k03.b01.z.tm.h5... -Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k03.b02.z.tm.h5... -Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k03.b03.z.tm.h5... -Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k03.b04.z.tm.h5... -Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k03.b05.z.tm.h5... -Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k03.b06.z.tm.h5... -Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k03.b07.z.tm.h5... -Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k03.b08.z.tm.h5... -Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k03.b09.z.tm.h5... -Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k03.b10.z.tm.h5... -Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k03.b11.z.tm.h5... -Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k03.b12.z.tm.h5... +Outputting fields to /tmp/meep1SOGmO/test_line_defect-0-e.k03.b01.z.tm.h5... +Outputting fields to /tmp/meep1SOGmO/test_line_defect-0-e.k03.b02.z.tm.h5... +Outputting fields to /tmp/meep1SOGmO/test_line_defect-0-e.k03.b03.z.tm.h5... +Outputting fields to /tmp/meep1SOGmO/test_line_defect-0-e.k03.b04.z.tm.h5... +Outputting fields to /tmp/meep1SOGmO/test_line_defect-0-e.k03.b05.z.tm.h5... +Outputting fields to /tmp/meep1SOGmO/test_line_defect-0-e.k03.b06.z.tm.h5... +Outputting fields to /tmp/meep1SOGmO/test_line_defect-0-e.k03.b07.z.tm.h5... +Outputting fields to /tmp/meep1SOGmO/test_line_defect-0-e.k03.b08.z.tm.h5... +Outputting fields to /tmp/meep1SOGmO/test_line_defect-0-e.k03.b09.z.tm.h5... +Outputting fields to /tmp/meep1SOGmO/test_line_defect-0-e.k03.b10.z.tm.h5... +Outputting fields to /tmp/meep1SOGmO/test_line_defect-0-e.k03.b11.z.tm.h5... +Outputting fields to /tmp/meep1SOGmO/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. @@ -49793,7 +45983,7 @@ 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: 16.011311769485474 +elapsed time for k point: 18.40896987915039 Fixing e-field (band 1) phase by 1 + -2.72416e-17i; max ampl. = 0.362092 Fixing e-field (band 2) phase by -1.83705e-11 + -1i; max ampl. = 0.407764 Fixing e-field (band 3) phase by -1 + -3.46211e-16i; max ampl. = 0.420136 @@ -49806,18 +45996,18 @@ Fixing e-field (band 10) phase by 1 + -1.34814e-12i; max ampl. = 0.483552 Fixing e-field (band 11) phase by -5.47238e-11 + 1i; max ampl. = 0.523494 Fixing e-field (band 12) phase by -1 + -6.896e-11i; max ampl. = 0.423458 -Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k04.b01.z.tm.h5... -Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k04.b02.z.tm.h5... -Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k04.b03.z.tm.h5... -Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k04.b04.z.tm.h5... -Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k04.b05.z.tm.h5... -Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k04.b06.z.tm.h5... -Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k04.b07.z.tm.h5... -Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k04.b08.z.tm.h5... -Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k04.b09.z.tm.h5... -Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k04.b10.z.tm.h5... -Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k04.b11.z.tm.h5... -Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k04.b12.z.tm.h5... +Outputting fields to /tmp/meep1SOGmO/test_line_defect-0-e.k04.b01.z.tm.h5... +Outputting fields to /tmp/meep1SOGmO/test_line_defect-0-e.k04.b02.z.tm.h5... +Outputting fields to /tmp/meep1SOGmO/test_line_defect-0-e.k04.b03.z.tm.h5... +Outputting fields to /tmp/meep1SOGmO/test_line_defect-0-e.k04.b04.z.tm.h5... +Outputting fields to /tmp/meep1SOGmO/test_line_defect-0-e.k04.b05.z.tm.h5... +Outputting fields to /tmp/meep1SOGmO/test_line_defect-0-e.k04.b06.z.tm.h5... +Outputting fields to /tmp/meep1SOGmO/test_line_defect-0-e.k04.b07.z.tm.h5... +Outputting fields to /tmp/meep1SOGmO/test_line_defect-0-e.k04.b08.z.tm.h5... +Outputting fields to /tmp/meep1SOGmO/test_line_defect-0-e.k04.b09.z.tm.h5... +Outputting fields to /tmp/meep1SOGmO/test_line_defect-0-e.k04.b10.z.tm.h5... +Outputting fields to /tmp/meep1SOGmO/test_line_defect-0-e.k04.b11.z.tm.h5... +Outputting fields to /tmp/meep1SOGmO/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. @@ -49979,7 +46169,7 @@ 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: 9.23960280418396 +elapsed time for k point: 15.267444133758545 Fixing e-field (band 1) phase by 1 + -9.69749e-17i; max ampl. = 0.407996 Fixing e-field (band 2) phase by -6.32811e-12 + 1i; max ampl. = 0.441101 Fixing e-field (band 3) phase by -1 + -4.58358e-16i; max ampl. = 0.464954 @@ -49992,18 +46182,18 @@ Fixing e-field (band 10) phase by 2.15222e-13 + 1i; max ampl. = 0.518507 Fixing e-field (band 11) phase by -1 + 1.55569e-12i; max ampl. = 0.471405 Fixing e-field (band 12) phase by -5.02433e-14 + -1i; max ampl. = 0.443866 -Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k05.b01.z.tm.h5... -Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k05.b02.z.tm.h5... -Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k05.b03.z.tm.h5... -Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k05.b04.z.tm.h5... -Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k05.b05.z.tm.h5... -Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k05.b06.z.tm.h5... -Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k05.b07.z.tm.h5... -Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k05.b08.z.tm.h5... -Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k05.b09.z.tm.h5... -Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k05.b10.z.tm.h5... -Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k05.b11.z.tm.h5... -Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k05.b12.z.tm.h5... +Outputting fields to /tmp/meep1SOGmO/test_line_defect-0-e.k05.b01.z.tm.h5... +Outputting fields to /tmp/meep1SOGmO/test_line_defect-0-e.k05.b02.z.tm.h5... +Outputting fields to /tmp/meep1SOGmO/test_line_defect-0-e.k05.b03.z.tm.h5... +Outputting fields to /tmp/meep1SOGmO/test_line_defect-0-e.k05.b04.z.tm.h5... +Outputting fields to /tmp/meep1SOGmO/test_line_defect-0-e.k05.b05.z.tm.h5... +Outputting fields to /tmp/meep1SOGmO/test_line_defect-0-e.k05.b06.z.tm.h5... +Outputting fields to /tmp/meep1SOGmO/test_line_defect-0-e.k05.b07.z.tm.h5... +Outputting fields to /tmp/meep1SOGmO/test_line_defect-0-e.k05.b08.z.tm.h5... +Outputting fields to /tmp/meep1SOGmO/test_line_defect-0-e.k05.b09.z.tm.h5... +Outputting fields to /tmp/meep1SOGmO/test_line_defect-0-e.k05.b10.z.tm.h5... +Outputting fields to /tmp/meep1SOGmO/test_line_defect-0-e.k05.b11.z.tm.h5... +Outputting fields to /tmp/meep1SOGmO/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. @@ -50059,7 +46249,7 @@ 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: 3.0869290828704834 +elapsed time for k point: 5.229649782180786 Fixing e-field (band 1) phase by 1 + -1.74815e-16i; max ampl. = 0.422882 Fixing e-field (band 2) phase by 3.28432e-12 + -1i; max ampl. = 0.466091 Fixing e-field (band 3) phase by -1 + -4.06835e-16i; max ampl. = 0.462198 @@ -50072,18 +46262,18 @@ Fixing e-field (band 10) phase by -9.38422e-13 + 1i; max ampl. = 0.472551 Fixing e-field (band 11) phase by 1 + 4.53592e-16i; max ampl. = 0.507635 Fixing e-field (band 12) phase by 5.92032e-13 + 1i; max ampl. = 0.465525 -..Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k06.b01.z.tm.h5... -Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k06.b02.z.tm.h5... -Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k06.b03.z.tm.h5... -Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k06.b04.z.tm.h5... -Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k06.b05.z.tm.h5... -Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k06.b06.z.tm.h5... -Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k06.b07.z.tm.h5... -Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k06.b08.z.tm.h5... -Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k06.b09.z.tm.h5... -Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k06.b10.z.tm.h5... -Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k06.b11.z.tm.h5... -Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k06.b12.z.tm.h5... +..Outputting fields to /tmp/meep1SOGmO/test_line_defect-0-e.k06.b01.z.tm.h5... +Outputting fields to /tmp/meep1SOGmO/test_line_defect-0-e.k06.b02.z.tm.h5... +Outputting fields to /tmp/meep1SOGmO/test_line_defect-0-e.k06.b03.z.tm.h5... +Outputting fields to /tmp/meep1SOGmO/test_line_defect-0-e.k06.b04.z.tm.h5... +Outputting fields to /tmp/meep1SOGmO/test_line_defect-0-e.k06.b05.z.tm.h5... +Outputting fields to /tmp/meep1SOGmO/test_line_defect-0-e.k06.b06.z.tm.h5... +Outputting fields to /tmp/meep1SOGmO/test_line_defect-0-e.k06.b07.z.tm.h5... +Outputting fields to /tmp/meep1SOGmO/test_line_defect-0-e.k06.b08.z.tm.h5... +Outputting fields to /tmp/meep1SOGmO/test_line_defect-0-e.k06.b09.z.tm.h5... +Outputting fields to /tmp/meep1SOGmO/test_line_defect-0-e.k06.b10.z.tm.h5... +Outputting fields to /tmp/meep1SOGmO/test_line_defect-0-e.k06.b11.z.tm.h5... +Outputting fields to /tmp/meep1SOGmO/test_line_defect-0-e.k06.b12.z.tm.h5... Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.25635010535444464 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> Band 2 range: 0.10088801014542104 at Vector3<0.0, 0.0, 0.0> to 0.25697767129278243 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> Band 3 range: 0.11054374616923925 at Vector3<0.0, 0.0, 0.0> to 0.25834187991797375 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> @@ -50098,15 +46288,15 @@ Band 12 range: 0.46569046397212355 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> to 0.5451229846661457 at Vector3<0.0, 0.0, 0.0> Gap from band 6 (0.27082126366760045) to band 7 (0.3373371031125568), 21.874512652721958% Gap from band 7 (0.44249766491694126) to band 8 (0.44826277655382385), 1.294424711399087% -total elapsed time for run: 47.64628624916077 +total elapsed time for run: 76.09037065505981 done -/tmp/meepNmMUdV/test_line_defect-0: 47.67s +/tmp/meep1SOGmO/test_line_defect-0: 76.19s -/tmp/meepNmMUdV/test_list_split-0 +/tmp/meep1SOGmO/test_list_split-0 ======================== -/tmp/meepNmMUdV/test_list_split-0: 0.00s +/tmp/meep1SOGmO/test_list_split-0: 0.00s -/tmp/meepNmMUdV/test_load_and_save_eigenvectors-0 +/tmp/meep1SOGmO/test_load_and_save_eigenvectors-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -50149,7 +46339,7 @@ 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: 0.007133960723876953 +elapsed time for initialization: 0.018781185150146484 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... @@ -50260,7 +46450,7 @@ iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.9566330909729004 +elapsed time for k point: 1.1854338645935059 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -50511,7 +46701,7 @@ iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 1.0463366508483887 +elapsed time for k point: 2.8817083835601807 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -50568,7 +46758,7 @@ iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.19775676727294922 +elapsed time for k point: 0.6980688571929932 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -50621,7 +46811,7 @@ iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.18766355514526367 +elapsed time for k point: 0.6727442741394043 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -50682,7 +46872,7 @@ iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.21691489219665527 +elapsed time for k point: 0.7286155223846436 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -50775,7 +46965,7 @@ iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.859694242477417 +elapsed time for k point: 1.1997060775756836 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -50846,7 +47036,7 @@ iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.26694273948669434 +elapsed time for k point: 0.8222708702087402 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -50907,7 +47097,7 @@ iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.4225959777832031 +elapsed time for k point: 0.7689497470855713 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -50960,7 +47150,7 @@ iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.2175281047821045 +elapsed time for k point: 0.6247620582580566 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -51012,7 +47202,7 @@ iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.41489124298095703 +elapsed time for k point: 0.5939338207244873 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -51064,7 +47254,7 @@ iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.31773972511291504 +elapsed time for k point: 0.5799281597137451 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -51105,7 +47295,7 @@ iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.1396946907043457 +elapsed time for k point: 0.4849536418914795 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -51152,7 +47342,7 @@ iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.2867138385772705 +elapsed time for k point: 0.5679187774658203 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -51215,7 +47405,7 @@ iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.408921480178833 +elapsed time for k point: 0.7186253070831299 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -51288,7 +47478,7 @@ iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.45427680015563965 +elapsed time for k point: 0.807863712310791 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -51483,7 +47673,7 @@ iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.6493778228759766 +elapsed time for k point: 1.9362874031066895 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> @@ -51495,7 +47685,7 @@ Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% -total elapsed time for run: 7.053098201751709 +total elapsed time for run: 15.316930532455444 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -51537,7 +47727,7 @@ 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: 0.004091739654541016 +elapsed time for initialization: 0.014875411987304688 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... @@ -51648,7 +47838,7 @@ iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.31940460205078125 +elapsed time for k point: 1.1013851165771484 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -51899,7 +48089,7 @@ iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 1.9229156970977783 +elapsed time for k point: 3.039686679840088 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -51956,7 +48146,7 @@ iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.9152460098266602 +elapsed time for k point: 0.7057595252990723 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -52009,7 +48199,7 @@ iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.5959653854370117 +elapsed time for k point: 0.6357855796813965 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -52070,7 +48260,7 @@ iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.49473142623901367 +elapsed time for k point: 0.7121036052703857 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -52163,7 +48353,7 @@ iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.35091495513916016 +elapsed time for k point: 1.1988945007324219 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -52234,7 +48424,7 @@ iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.2525300979614258 +elapsed time for k point: 0.8819725513458252 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -52295,7 +48485,7 @@ iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.31954169273376465 +elapsed time for k point: 0.7377471923828125 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -52348,7 +48538,7 @@ iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.35482144355773926 +elapsed time for k point: 0.6478464603424072 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -52400,7 +48590,7 @@ iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.22534537315368652 +elapsed time for k point: 0.5953688621520996 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -52452,7 +48642,7 @@ iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.3311741352081299 +elapsed time for k point: 0.6167750358581543 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -52493,7 +48683,7 @@ iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.19366931915283203 +elapsed time for k point: 0.49206042289733887 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -52540,7 +48730,7 @@ iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.19695258140563965 +elapsed time for k point: 0.5697951316833496 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -52603,7 +48793,7 @@ iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.4463779926300049 +elapsed time for k point: 0.6775202751159668 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -52676,7 +48866,7 @@ iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.4230492115020752 +elapsed time for k point: 0.9117720127105713 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -52871,7 +49061,7 @@ iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -.elapsed time for k point: 0.9186604022979736 +.elapsed time for k point: 1.9716753959655762 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> @@ -52883,11 +49073,11 @@ Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% -total elapsed time for run: 8.267613172531128 +total elapsed time for run: 15.52131986618042 done -/tmp/meepNmMUdV/test_load_and_save_eigenvectors-0: 15.33s +/tmp/meep1SOGmO/test_load_and_save_eigenvectors-0: 30.84s -/tmp/meepNmMUdV/test_maximize_first_tm_gap-0 +/tmp/meep1SOGmO/test_maximize_first_tm_gap-0 ======================== Initializing eigensolver data Computing 2 bands with 1e-12 tolerance @@ -52930,7 +49120,7 @@ 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: 0.003151416778564453 +elapsed time for initialization: 0.001963376998901367 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... @@ -52969,7 +49159,7 @@ iteration 16: trace = 0.2090835261705099 (4.52806e-11% change) Finished solving for bands 2 to 2 after 16 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.457257 -elapsed time for k point: 0.016598224639892578 +elapsed time for k point: 0.042823076248168945 solve_kpoint (0.1,0,0): Solving for bands 1 to 2... linmin: converged after 10 iterations. @@ -53036,7 +49226,7 @@ iteration 30: trace = 0.2014046501599139 (1.93347e-11% change) Finished solving for bands 1 to 2 after 30 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0554835, 0.445338 -elapsed time for k point: 0.07068967819213867 +elapsed time for k point: 0.11573028564453125 solve_kpoint (0.2,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. @@ -53059,7 +49249,7 @@ iteration 9: trace = 0.1879007300173177 (4.35018e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.108796, 0.4196 -elapsed time for k point: 0.011996269226074219 +elapsed time for k point: 0.03929877281188965 solve_kpoint (0.3,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -53082,7 +49272,7 @@ iteration 9: trace = 0.1768571842568802 (4.04899e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.157121, 0.39009 -elapsed time for k point: 0.012118101119995117 +elapsed time for k point: 0.047411203384399414 solve_kpoint (0.4,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -53103,7 +49293,7 @@ iteration 8: trace = 0.170163043677122 (4.09247e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.195165, 0.36342 -elapsed time for k point: 0.09202241897583008 +elapsed time for k point: 0.028916358947753906 solve_kpoint (0.5,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. @@ -53124,7 +49314,7 @@ iteration 8: trace = 0.1679542017748686 (3.77942e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.211216, 0.351201 -elapsed time for k point: 0.009686470031738281 +elapsed time for k point: 0.03937268257141113 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 2... linmin: converged after 3 iterations. @@ -53145,7 +49335,7 @@ iteration 8: trace = 0.1727422479677606 (9.46383e-12% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.214395, 0.356057 -elapsed time for k point: 0.009586811065673828 +elapsed time for k point: 0.025630950927734375 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -53166,7 +49356,7 @@ iteration 8: trace = 0.1859937688378513 (2.16829e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.223034, 0.36912 -elapsed time for k point: 0.009690523147583008 +elapsed time for k point: 0.029534339904785156 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -53187,7 +49377,7 @@ iteration 8: trace = 0.2041420413289724 (7.57581e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.234535, 0.38618 -elapsed time for k point: 0.021121501922607422 +elapsed time for k point: 0.025769948959350586 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. @@ -53210,7 +49400,7 @@ iteration 9: trace = 0.2207583578967242 (6.00981e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.244797, 0.40104 -elapsed time for k point: 0.010849237442016602 +elapsed time for k point: 0.04349637031555176 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. @@ -53233,7 +49423,7 @@ iteration 9: trace = 0.2277122843842428 (1.05799e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.249029, 0.407058 -elapsed time for k point: 0.011393070220947266 +elapsed time for k point: 0.043526411056518555 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -53275,7 +49465,7 @@ iteration 17: trace = 0.2194624955004418 (3.56774e-11% change) Finished solving for bands 1 to 2 after 17 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.239439, 0.402656 -elapsed time for k point: 0.019394874572753906 +elapsed time for k point: 0.06341409683227539 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -53298,7 +49488,7 @@ iteration 9: trace = 0.2042021396245495 (5.38251e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.206339, 0.402028 -elapsed time for k point: 0.010730743408203125 +elapsed time for k point: 0.03584098815917969 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. @@ -53321,7 +49511,7 @@ iteration 9: trace = 0.1959313854307186 (4.13646e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.149555, 0.416611 -elapsed time for k point: 0.010653257369995117 +elapsed time for k point: 0.04337906837463379 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 2... linmin: converged after 8 iterations. @@ -53346,7 +49536,7 @@ iteration 10: trace = 0.2007748484301815 (1.08658e-11% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0779669, 0.441244 -elapsed time for k point: 0.011906862258911133 +elapsed time for k point: 0.03256678581237793 solve_kpoint (0,0,0): Solving for bands 2 to 2... linmin: converged after 6 iterations. @@ -53375,11 +49565,11 @@ iteration 12: trace = 0.2090835122571492 (3.45412e-11% change) Finished solving for bands 2 to 2 after 12 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.457257 -elapsed time for k point: 0.007011890411376953 +elapsed time for k point: 0.023972034454345703 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.24902949992221993 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.3512008353051182 at Vector3<0.5, 0.0, 0.0> to 0.4572565211897041 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.24902949992221993) to band 2 (0.3512008353051182), 34.0440425571629% -total elapsed time for run: 0.3396461009979248 +total elapsed time for run: 0.6845195293426514 done Initializing eigensolver data Computing 2 bands with 1e-12 tolerance @@ -53421,7 +49611,7 @@ 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: 0.0038030147552490234 +elapsed time for initialization: 0.014654397964477539 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... @@ -53462,7 +49652,7 @@ iteration 17: trace = 0.1326529296620272 (9.96166e-11% change) Finished solving for bands 2 to 2 after 17 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.364215 -elapsed time for k point: 0.009973764419555664 +elapsed time for k point: 0.03436446189880371 solve_kpoint (0.1,0,0): Solving for bands 1 to 2... linmin: converged after 9 iterations. @@ -53522,7 +49712,7 @@ iteration 27: trace = 0.1274079622121579 (4.272e-11% change) Finished solving for bands 1 to 2 after 27 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0438278, 0.354242 -elapsed time for k point: 0.03151369094848633 +elapsed time for k point: 0.10007071495056152 solve_kpoint (0.2,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. @@ -53545,7 +49735,7 @@ iteration 9: trace = 0.1169623869301468 (5.35594e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.086595, 0.330853 -elapsed time for k point: 0.014231681823730469 +elapsed time for k point: 0.03928875923156738 solve_kpoint (0.3,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. @@ -53568,7 +49758,7 @@ iteration 9: trace = 0.1074794489925547 (2.82774e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.126861, 0.302301 -elapsed time for k point: 0.02243351936340332 +elapsed time for k point: 0.027561187744140625 solve_kpoint (0.4,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -53589,7 +49779,7 @@ iteration 8: trace = 0.1013401281478576 (3.11955e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.161288, 0.274456 -elapsed time for k point: 0.017665624618530273 +elapsed time for k point: 0.04660391807556152 solve_kpoint (0.5,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -53610,7 +49800,7 @@ iteration 8: trace = 0.09924540234965111 (1.03896e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.177897, 0.259996 -elapsed time for k point: 0.021702289581298828 +elapsed time for k point: 0.029514551162719727 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -53631,7 +49821,7 @@ iteration 8: trace = 0.1023441112106413 (2.08823e-12% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.18095, 0.263821 -elapsed time for k point: 0.017813444137573242 +elapsed time for k point: 0.03467392921447754 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -53652,7 +49842,7 @@ iteration 8: trace = 0.111100487504477 (9.10609e-12% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.189456, 0.274239 -elapsed time for k point: 0.018041133880615234 +elapsed time for k point: 0.025464534759521484 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -53673,7 +49863,7 @@ iteration 8: trace = 0.1236552584709827 (3.22997e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.201452, 0.288223 -elapsed time for k point: 0.01886296272277832 +elapsed time for k point: 0.04251456260681152 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -53696,7 +49886,7 @@ iteration 9: trace = 0.1360211172747792 (1.04475e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.213244, 0.300912 -elapsed time for k point: 0.020048141479492188 +elapsed time for k point: 0.047269582748413086 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -53719,7 +49909,7 @@ iteration 9: trace = 0.1415827248187514 (3.31304e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.218623, 0.306246 -elapsed time for k point: 0.023064136505126953 +elapsed time for k point: 0.022341489791870117 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -53769,7 +49959,7 @@ iteration 21: trace = 0.1366069801386999 (1.81235e-11% change) Finished solving for bands 1 to 2 after 21 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.206544, 0.306507 -elapsed time for k point: 0.04490971565246582 +elapsed time for k point: 0.09594941139221191 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. @@ -53792,7 +49982,7 @@ iteration 9: trace = 0.1283044775563506 (4.1686e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.171233, 0.314617 -elapsed time for k point: 0.010895252227783203 +elapsed time for k point: 0.04679679870605469 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. @@ -53815,7 +50005,7 @@ iteration 9: trace = 0.125065286647159 (9.21004e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.120346, 0.332539 -elapsed time for k point: 0.023378610610961914 +elapsed time for k point: 0.047250986099243164 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. @@ -53838,7 +50028,7 @@ iteration 9: trace = 0.1287431504622698 (9.99038e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0617389, 0.353456 -elapsed time for k point: 0.011309623718261719 +elapsed time for k point: 0.03559088706970215 solve_kpoint (0,0,0): Solving for bands 2 to 2... linmin: converged after 4 iterations. @@ -53869,11 +50059,11 @@ iteration 13: trace = 0.1326529452608121 (4.34162e-11% change) Finished solving for bands 2 to 2 after 13 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.364216 -elapsed time for k point: 0.008889436721801758 +elapsed time for k point: 0.03242659568786621 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.21862256910517538 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.25999614437474894 at Vector3<0.5, 0.0, 0.0> to 0.3642155203458691 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.21862256910517538) to band 2 (0.25999614437474894), 17.288741164655264% -total elapsed time for run: 0.3199751377105713 +total elapsed time for run: 0.7242376804351807 done Initializing eigensolver data Computing 2 bands with 1e-12 tolerance @@ -53915,7 +50105,7 @@ 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: 0.0029201507568359375 +elapsed time for initialization: 0.014024972915649414 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... @@ -53962,7 +50152,7 @@ iteration 20: trace = 0.2982519551490028 (5.19652e-11% change) Finished solving for bands 2 to 2 after 20 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.546124 -elapsed time for k point: 0.013455629348754883 +elapsed time for k point: 0.04909348487854004 solve_kpoint (0.1,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -53999,7 +50189,7 @@ iteration 16: trace = 0.2795911378478675 (6.11119e-11% change) Finished solving for bands 1 to 2 after 16 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0654224, 0.524701 -elapsed time for k point: 0.019069910049438477 +elapsed time for k point: 0.06759428977966309 solve_kpoint (0.2,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54024,7 +50214,7 @@ iteration 10: trace = 0.2611842409470009 (6.08279e-11% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.128149, 0.494734 -elapsed time for k point: 0.012047529220581055 +elapsed time for k point: 0.0483396053314209 solve_kpoint (0.3,0,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. @@ -54047,7 +50237,7 @@ iteration 9: trace = 0.2490993774400128 (1.40394e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.184564, 0.463719 -elapsed time for k point: 0.025627613067626953 +elapsed time for k point: 0.04342007637023926 solve_kpoint (0.4,0,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -54068,7 +50258,7 @@ iteration 8: trace = 0.242445714489984 (6.61933e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.228088, 0.436373 -elapsed time for k point: 0.010522842407226562 +elapsed time for k point: 0.03350496292114258 solve_kpoint (0.5,0,0): Solving for bands 1 to 2... linmin: converged after 8 iterations. @@ -54089,7 +50279,7 @@ iteration 8: trace = 0.2403442724329473 (2.85473e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.245908, 0.424115 -elapsed time for k point: 0.009767532348632812 +elapsed time for k point: 0.042612552642822266 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -54110,7 +50300,7 @@ iteration 8: trace = 0.2478135698278215 (2.66564e-12% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.249363, 0.43085 -elapsed time for k point: 0.019945383071899414 +elapsed time for k point: 0.029718637466430664 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -54131,7 +50321,7 @@ iteration 8: trace = 0.2687921840070472 (1.5138e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.258652, 0.449323 -elapsed time for k point: 0.014445066452026367 +elapsed time for k point: 0.03802037239074707 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -54152,7 +50342,7 @@ iteration 8: trace = 0.2984106619036122 (7.5581e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.270746, 0.474454 -elapsed time for k point: 0.01174306869506836 +elapsed time for k point: 0.03756594657897949 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 2... linmin: converged after 8 iterations. @@ -54175,7 +50365,7 @@ iteration 9: trace = 0.3267691033102512 (4.28095e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.281204, 0.497688 -elapsed time for k point: 0.015270471572875977 +elapsed time for k point: 0.055299997329711914 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. @@ -54198,7 +50388,7 @@ iteration 9: trace = 0.3391341088633693 (2.86121e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.285404, 0.507621 -elapsed time for k point: 0.021020174026489258 +elapsed time for k point: 0.04752683639526367 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54237,7 +50427,7 @@ iteration 17: trace = 0.3215197827688707 (6.91127e-11% change) Finished solving for bands 1 to 2 after 17 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.275795, 0.495436 -elapsed time for k point: 0.030604124069213867 +elapsed time for k point: 0.07617950439453125 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. @@ -54260,7 +50450,7 @@ iteration 9: trace = 0.2901214013723645 (2.05688e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.240471, 0.48197 -elapsed time for k point: 0.021146059036254883 +elapsed time for k point: 0.03941774368286133 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54285,7 +50475,7 @@ iteration 10: trace = 0.270860725885171 (6.02534e-12% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.175771, 0.489863 -elapsed time for k point: 0.015651464462280273 +elapsed time for k point: 0.05634880065917969 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 2... linmin: converged after 9 iterations. @@ -54312,7 +50502,7 @@ iteration 11: trace = 0.2750943676881151 (3.41024e-12% change) Finished solving for bands 1 to 2 after 11 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0919053, 0.51638 -elapsed time for k point: 0.016209840774536133 +elapsed time for k point: 0.0625913143157959 solve_kpoint (0,0,0): Solving for bands 2 to 2... linmin: converged after 8 iterations. @@ -54349,11 +50539,11 @@ iteration 16: trace = 0.2982519551492238 (9.21674e-11% change) Finished solving for bands 2 to 2 after 16 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.546124 -elapsed time for k point: 0.011290788650512695 +elapsed time for k point: 0.03313159942626953 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.28540381057856934 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.42411505161943935 at Vector3<0.5, 0.0, 0.0> to 0.5461244868610301 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.28540381057856934) to band 2 (0.42411505161943935), 39.10008554562127% -total elapsed time for run: 0.27199649810791016 +total elapsed time for run: 0.7762680053710938 done Initializing eigensolver data Computing 2 bands with 1e-12 tolerance @@ -54395,7 +50585,7 @@ 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: 0.002717733383178711 +elapsed time for initialization: 0.021981239318847656 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... @@ -54430,7 +50620,7 @@ iteration 14: trace = 0.3025956959406486 (2.01428e-11% change) Finished solving for bands 2 to 2 after 14 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.550087 -elapsed time for k point: 0.009383916854858398 +elapsed time for k point: 0.033110857009887695 solve_kpoint (0.1,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54455,7 +50645,7 @@ iteration 10: trace = 0.3009297177018313 (7.17386e-11% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0721945, 0.543799 -elapsed time for k point: 0.02331852912902832 +elapsed time for k point: 0.04830336570739746 solve_kpoint (0.2,0,0): Solving for bands 1 to 2... linmin: converged after 8 iterations. @@ -54480,7 +50670,7 @@ iteration 10: trace = 0.2969598361818406 (3.31617e-11% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.141724, 0.526188 -elapsed time for k point: 0.017458677291870117 +elapsed time for k point: 0.03611397743225098 solve_kpoint (0.3,0,0): Solving for bands 1 to 2... linmin: converged after 10 iterations. @@ -54505,7 +50695,7 @@ iteration 10: trace = 0.2926449175807005 (3.60407e-12% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.204809, 0.500698 -elapsed time for k point: 0.026660442352294922 +elapsed time for k point: 0.04839944839477539 solve_kpoint (0.4,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54528,7 +50718,7 @@ iteration 9: trace = 0.2895143959121311 (5.52208e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.254113, 0.474279 -elapsed time for k point: 0.015651226043701172 +elapsed time for k point: 0.04740023612976074 solve_kpoint (0.5,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54549,7 +50739,7 @@ iteration 8: trace = 0.2883886767737717 (2.7006e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.274582, 0.461512 -elapsed time for k point: 0.017204999923706055 +elapsed time for k point: 0.03356671333312988 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -54570,7 +50760,7 @@ iteration 8: trace = 0.2982086196943479 (6.96196e-12% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.278369, 0.469808 -elapsed time for k point: 0.010922908782958984 +elapsed time for k point: 0.022728443145751953 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54591,7 +50781,7 @@ iteration 8: trace = 0.3264979228223411 (2.76112e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.288519, 0.493208 -elapsed time for k point: 0.012558937072753906 +elapsed time for k point: 0.03445911407470703 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -54612,7 +50802,7 @@ iteration 8: trace = 0.369066417318031 (8.31916e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.301662, 0.52732 -elapsed time for k point: 0.014170169830322266 +elapsed time for k point: 0.02158522605895996 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -54637,7 +50827,7 @@ iteration 10: trace = 0.4155447999210056 (5.90452e-12% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.312941, 0.563571 -elapsed time for k point: 0.023720979690551758 +elapsed time for k point: 0.06759881973266602 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54662,7 +50852,7 @@ iteration 10: trace = 0.4398182199057517 (3.20583e-11% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.317444, 0.582278 -elapsed time for k point: 0.026959896087646484 +elapsed time for k point: 0.07739758491516113 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54701,7 +50891,7 @@ iteration 17: trace = 0.402475438444692 (8.9237e-12% change) Finished solving for bands 1 to 2 after 17 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.307036, 0.555161 -elapsed time for k point: 0.02500629425048828 +elapsed time for k point: 0.06422185897827148 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54724,7 +50914,7 @@ iteration 9: trace = 0.3476919187043944 (6.05256e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.267668, 0.5254 -elapsed time for k point: 0.01984119415283203 +elapsed time for k point: 0.03556060791015625 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. @@ -54749,7 +50939,7 @@ iteration 10: trace = 0.312470185923318 (6.91069e-12% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.194886, 0.523918 -elapsed time for k point: 0.02231907844543457 +elapsed time for k point: 0.035970211029052734 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. @@ -54774,7 +50964,7 @@ iteration 10: trace = 0.3014386377955973 (5.1913e-11% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.101494, 0.539572 -elapsed time for k point: 0.01495361328125 +elapsed time for k point: 0.043875694274902344 solve_kpoint (0,0,0): Solving for bands 2 to 2... linmin: converged after 5 iterations. @@ -54803,15 +50993,15 @@ iteration 12: trace = 0.3025956959406542 (2.04547e-11% change) Finished solving for bands 2 to 2 after 12 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.550087 -.elapsed time for k point: 0.011008977890014648 +.elapsed time for k point: 0.0279695987701416 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.31744412297232133 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.46151218989969184 at Vector3<0.5, 0.0, 0.0> to 0.5822778105819287 at Vector3<0.5, 0.5, 0.0> Gap from band 1 (0.31744412297232133) to band 2 (0.46151218989969184), 36.990024869608234% -total elapsed time for run: 0.29578614234924316 +total elapsed time for run: 0.7021408081054688 done -/tmp/meepNmMUdV/test_maximize_first_tm_gap-0: 1.23s +/tmp/meep1SOGmO/test_maximize_first_tm_gap-0: 2.91s -/tmp/meepNmMUdV/test_multiply_bloch_in_mpb_data-0 +/tmp/meep1SOGmO/test_multiply_bloch_in_mpb_data-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -54854,7 +51044,7 @@ 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: 0.004980325698852539 +elapsed time for initialization: 0.014796972274780273 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... @@ -54965,7 +51155,7 @@ iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.39040255546569824 +elapsed time for k point: 1.0167651176452637 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -55216,7 +51406,7 @@ iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 1.2431378364562988 +elapsed time for k point: 2.8209683895111084 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55273,7 +51463,7 @@ iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.5789084434509277 +elapsed time for k point: 0.6216216087341309 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55326,7 +51516,7 @@ iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.33829641342163086 +elapsed time for k point: 0.5139515399932861 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55387,7 +51577,7 @@ iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.5216522216796875 +elapsed time for k point: 0.7098393440246582 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55480,7 +51670,7 @@ iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.8432421684265137 +elapsed time for k point: 0.7440927028656006 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -55551,7 +51741,7 @@ iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.3111135959625244 +elapsed time for k point: 0.6737544536590576 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55612,7 +51802,7 @@ iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.6148838996887207 +elapsed time for k point: 0.6377754211425781 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55665,7 +51855,7 @@ iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.5584976673126221 +elapsed time for k point: 0.6260573863983154 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55717,7 +51907,7 @@ iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.19626188278198242 +elapsed time for k point: 0.5895786285400391 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55769,7 +51959,7 @@ iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.24866056442260742 +elapsed time for k point: 0.6060481071472168 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55810,7 +52000,7 @@ iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.27300095558166504 +elapsed time for k point: 0.26529359817504883 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55857,7 +52047,7 @@ iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.16555070877075195 +elapsed time for k point: 0.15142226219177246 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55920,7 +52110,7 @@ iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.3617737293243408 +elapsed time for k point: 0.6599469184875488 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55993,7 +52183,7 @@ iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.42745065689086914 +elapsed time for k point: 0.8299527168273926 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -56188,7 +52378,7 @@ iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.7658050060272217 +elapsed time for k point: 1.5649714469909668 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> @@ -56200,7 +52390,7 @@ Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% -total elapsed time for run: 7.845916748046875 +total elapsed time for run: 13.057177782058716 done Fixing e-field (band 8) phase by 2.61271e-07 + 1i; max ampl. = 1.10099 real part range: -1.10098 .. 1.10098 @@ -56249,7 +52439,7 @@ 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: 0.003926753997802734 +elapsed time for initialization: 0.0028197765350341797 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... @@ -56360,7 +52550,7 @@ iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.44992852210998535 +elapsed time for k point: 0.8727450370788574 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -56611,7 +52801,7 @@ iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 2.0589277744293213 +elapsed time for k point: 2.9229464530944824 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -56668,7 +52858,7 @@ iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.1990339756011963 +elapsed time for k point: 0.6144239902496338 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -56721,7 +52911,7 @@ iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.6038510799407959 +elapsed time for k point: 0.6200928688049316 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -56782,7 +52972,7 @@ iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.30338573455810547 +elapsed time for k point: 0.7099313735961914 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -56875,7 +53065,7 @@ iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.34462976455688477 +elapsed time for k point: 1.114943504333496 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -56946,7 +53136,7 @@ iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.5698459148406982 +elapsed time for k point: 0.8366608619689941 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -57007,7 +53197,7 @@ iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.43701791763305664 +elapsed time for k point: 0.8089747428894043 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -57060,7 +53250,7 @@ iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.1944746971130371 +elapsed time for k point: 0.5867886543273926 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -57112,7 +53302,7 @@ iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.4669170379638672 +elapsed time for k point: 0.617825984954834 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -57164,7 +53354,7 @@ iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.18142175674438477 +elapsed time for k point: 0.6477601528167725 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -57205,7 +53395,7 @@ iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.1435682773590088 +elapsed time for k point: 0.450406551361084 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -57252,7 +53442,7 @@ iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.1942586898803711 +elapsed time for k point: 0.5725686550140381 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -57315,7 +53505,7 @@ iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.2997140884399414 +elapsed time for k point: 0.7884016036987305 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -57388,7 +53578,7 @@ iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.2672421932220459 +elapsed time for k point: 0.7623128890991211 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -57583,7 +53773,7 @@ iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.5406749248504639 +elapsed time for k point: 1.8161818981170654 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> @@ -57595,7 +53785,7 @@ Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% -total elapsed time for run: 7.260775804519653 +total elapsed time for run: 14.77621841430664 done Fixing e-field (band 8) phase by 2.61271e-07 + 1i; max ampl. = 1.10099 real part range: -1.10098 .. 1.10098 @@ -57604,9 +53794,9 @@ imag part range: -0.00766496 .. 0.00870069 real part range: 0 .. 0 imag part range: 0 .. 0 -./tmp/meepNmMUdV/test_multiply_bloch_in_mpb_data-0: 15.22s +./tmp/meep1SOGmO/test_multiply_bloch_in_mpb_data-0: 28.22s -/tmp/meepNmMUdV/test_multiply_bloch_phase-0 +/tmp/meep1SOGmO/test_multiply_bloch_phase-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -57649,7 +53839,7 @@ 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: 0.00399327278137207 +elapsed time for initialization: 0.010637044906616211 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... @@ -57760,7 +53950,7 @@ iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.4924945831298828 +elapsed time for k point: 1.0730741024017334 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -58011,7 +54201,7 @@ iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 1.4534051418304443 +elapsed time for k point: 3.0218162536621094 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58068,7 +54258,7 @@ iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.33231616020202637 +elapsed time for k point: 0.6269614696502686 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58121,7 +54311,7 @@ iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.19042110443115234 +elapsed time for k point: 0.6214921474456787 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58182,7 +54372,7 @@ iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.3025202751159668 +elapsed time for k point: 0.6878852844238281 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58275,7 +54465,7 @@ iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.5372359752655029 +elapsed time for k point: 1.1981747150421143 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -58346,7 +54536,7 @@ iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.34014010429382324 +elapsed time for k point: 0.7486557960510254 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58407,7 +54597,7 @@ iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.5297207832336426 +elapsed time for k point: 0.6130263805389404 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58460,7 +54650,7 @@ iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.18421220779418945 +elapsed time for k point: 0.6217992305755615 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58512,7 +54702,7 @@ iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.17995619773864746 +elapsed time for k point: 0.593482255935669 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58564,7 +54754,7 @@ iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.262453556060791 +elapsed time for k point: 0.5357406139373779 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58605,7 +54795,7 @@ iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.13794779777526855 +elapsed time for k point: 0.435483455657959 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58652,7 +54842,7 @@ iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.37728333473205566 +elapsed time for k point: 0.4988560676574707 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58715,7 +54905,7 @@ iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.30446791648864746 +elapsed time for k point: 0.6449012756347656 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58788,7 +54978,7 @@ iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.283383846282959 +elapsed time for k point: 0.7947835922241211 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -58983,7 +55173,7 @@ iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.8623027801513672 +elapsed time for k point: 1.780320167541504 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> @@ -58995,12 +55185,12 @@ Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% -total elapsed time for run: 6.776417255401611 +total elapsed time for run: 14.533467292785645 done Fixing e-field (band 8) phase by 2.61271e-07 + 1i; max ampl. = 1.10099 -./tmp/meepNmMUdV/test_multiply_bloch_phase-0: 6.78s +./tmp/meep1SOGmO/test_multiply_bloch_phase-0: 14.55s -/tmp/meepNmMUdV/test_output_charge_density-0 +/tmp/meep1SOGmO/test_output_charge_density-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -59043,7 +55233,7 @@ 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: 0.003939628601074219 +elapsed time for initialization: 0.014667034149169922 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... @@ -59154,7 +55344,7 @@ iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.49152660369873047 +elapsed time for k point: 0.9063184261322021 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -59405,7 +55595,7 @@ iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 1.254688024520874 +elapsed time for k point: 2.7364890575408936 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -59462,7 +55652,7 @@ iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.7589869499206543 +elapsed time for k point: 0.5463993549346924 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -59515,7 +55705,7 @@ iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.2057795524597168 +elapsed time for k point: 0.505352258682251 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -59576,7 +55766,7 @@ iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.23887324333190918 +elapsed time for k point: 0.6263248920440674 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -59669,7 +55859,7 @@ iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.5127837657928467 +elapsed time for k point: 1.067875623703003 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -59740,7 +55930,7 @@ iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.3739771842956543 +elapsed time for k point: 0.664909839630127 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -59801,7 +55991,7 @@ iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.28777337074279785 +elapsed time for k point: 0.5708408355712891 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -59854,7 +56044,7 @@ iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.21875 +elapsed time for k point: 0.49740171432495117 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -59906,7 +56096,7 @@ iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.23914122581481934 +elapsed time for k point: 0.5384552478790283 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -59958,7 +56148,7 @@ iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.22349095344543457 +elapsed time for k point: 0.5051822662353516 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -59999,7 +56189,7 @@ iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.2202439308166504 +elapsed time for k point: 0.3717305660247803 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -60046,7 +56236,7 @@ iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.23238825798034668 +elapsed time for k point: 0.42812585830688477 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -60109,7 +56299,7 @@ iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.4437863826751709 +elapsed time for k point: 0.5823559761047363 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -60182,7 +56372,7 @@ iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.4092066287994385 +elapsed time for k point: 0.756812572479248 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -60377,7 +56567,7 @@ iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 1.430375099182129 +elapsed time for k point: 1.705620288848877 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> @@ -60389,13 +56579,13 @@ Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% -total elapsed time for run: 7.5480756759643555 +total elapsed time for run: 13.027142763137817 done Fixing e-field (band 8) phase by 2.61271e-07 + 1i; max ampl. = 1.10099 -.Outputting complex scalar field to /tmp/meepNmMUdV/test_output_charge_density-0-C.k16.b08.te.h5... -/tmp/meepNmMUdV/test_output_charge_density-0: 7.56s +.Outputting complex scalar field to /tmp/meep1SOGmO/test_output_charge_density-0-C.k16.b08.te.h5... +/tmp/meep1SOGmO/test_output_charge_density-0: 13.10s -/tmp/meepNmMUdV/test_output_dpwr_in_objects-0 +/tmp/meep1SOGmO/test_output_dpwr_in_objects-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -60438,7 +56628,7 @@ 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: 0.003922939300537109 +elapsed time for initialization: 0.014674186706542969 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... @@ -60549,12 +56739,12 @@ iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.5646727085113525 +elapsed time for k point: 0.8309528827667236 D-energy-components:, 1, 1, 0, 0, 0 dpwr:, 1, 0.0, 0.0 D-energy-components:, 1, 2, 0.500003, 0.499997, 0 dpwr:, 2, 0.5527092320102558, 0.8567435000049138 -Outputting fields to /tmp/meepNmMUdV/test_output_dpwr_in_objects-0-d.k01.b02.te.h5... +Outputting fields to /tmp/meep1SOGmO/test_output_dpwr_in_objects-0-d.k01.b02.te.h5... D-energy-components:, 1, 3, 0.455928, 0.544072, 0 dpwr:, 3, 0.7732265593069425, 0.5288260557980025 D-energy-components:, 1, 4, 0.544076, 0.455924, 0 @@ -60817,7 +57007,7 @@ iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 1.6901142597198486 +elapsed time for k point: 2.7944061756134033 D-energy-components:, 2, 1, 0.0311142, 0.968886, 0 dpwr:, 1, 0.08973322605272535, 0.04603176936931879 D-energy-components:, 2, 2, 0.488088, 0.511912, 0 @@ -60890,7 +57080,7 @@ iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.24689865112304688 +elapsed time for k point: 0.7243313789367676 D-energy-components:, 3, 1, 0.0363561, 0.963644, 0 dpwr:, 1, 0.1786920044640263, 0.05442207262852542 D-energy-components:, 3, 2, 0.446363, 0.553637, 0 @@ -60959,7 +57149,7 @@ iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.21985173225402832 +elapsed time for k point: 0.6107699871063232 D-energy-components:, 4, 1, 0.0468976, 0.953102, 0 dpwr:, 1, 0.2657976067157466, 0.07189021130587141 D-energy-components:, 4, 2, 0.35602, 0.64398, 0 @@ -61036,7 +57226,7 @@ iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.2105119228363037 +elapsed time for k point: 0.5207123756408691 D-energy-components:, 5, 1, 0.0662302, 0.93377, 0 dpwr:, 1, 0.34895594992452517, 0.10384524472340306 D-energy-components:, 5, 2, 0.226367, 0.773633, 0 @@ -61145,7 +57335,7 @@ iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.47478389739990234 +elapsed time for k point: 0.8696086406707764 D-energy-components:, 6, 1, 0.0773009, 0.922699, 0 dpwr:, 1, 0.4127906712654537, 0.08603996686487969 D-energy-components:, 6, 2, 0.165167, 0.834833, 0 @@ -61232,7 +57422,7 @@ iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.4387693405151367 +elapsed time for k point: 0.7864079475402832 D-energy-components:, 7, 1, 0.12807, 0.87193, 0 dpwr:, 1, 0.42374146132378676, 0.08405292712340615 D-energy-components:, 7, 2, 0.190236, 0.809764, 0 @@ -61309,7 +57499,7 @@ iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.3891463279724121 +elapsed time for k point: 0.6328284740447998 D-energy-components:, 8, 1, 0.253956, 0.746044, 0 dpwr:, 1, 0.45478127251547096, 0.08020083733719105 D-energy-components:, 8, 2, 0.258536, 0.741464, 0 @@ -61378,7 +57568,7 @@ iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.20063447952270508 +elapsed time for k point: 0.604806661605835 D-energy-components:, 9, 1, 0.353246, 0.646754, 0 dpwr:, 1, 0.4737665959361228, 0.5125827722133006 D-energy-components:, 9, 2, 0.406264, 0.593736, 0 @@ -61446,7 +57636,7 @@ iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.24992632865905762 +elapsed time for k point: 0.6124200820922852 D-energy-components:, 10, 1, 0.450645, 0.549355, 0 dpwr:, 1, 0.4896492003298964, 0.6285469371617572 D-energy-components:, 10, 2, 0.55965, 0.44035, 0 @@ -61514,7 +57704,7 @@ iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.22509980201721191 +elapsed time for k point: 0.601048469543457 D-energy-components:, 11, 1, 0.500002, 0.499998, 0 dpwr:, 1, 0.49683586474489916, 0.698636026235475 D-energy-components:, 11, 2, 0.490408, 0.509592, 0 @@ -61571,7 +57761,7 @@ iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.16626739501953125 +elapsed time for k point: 0.4978008270263672 D-energy-components:, 12, 1, 0.500001, 0.499999, 0 dpwr:, 1, 0.4709868954434166, 0.4184573101716424 D-energy-components:, 12, 2, 0.5, 0.5, 0 @@ -61634,7 +57824,7 @@ iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.18665766716003418 +elapsed time for k point: 0.570239782333374 D-energy-components:, 13, 1, 0.499999, 0.500001, 0 dpwr:, 1, 0.37243467691290155, 0.12237408338139008 D-energy-components:, 13, 2, 0.500002, 0.499998, 0 @@ -61713,7 +57903,7 @@ iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.29447412490844727 +elapsed time for k point: 0.7095577716827393 D-energy-components:, 14, 1, 0.499999, 0.500001, 0 dpwr:, 1, 0.2520880962287429, 0.06537222988414773 D-energy-components:, 14, 2, 0.500003, 0.499997, 0 @@ -61802,7 +57992,7 @@ iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.3266482353210449 +elapsed time for k point: 0.831228494644165 D-energy-components:, 15, 1, 0.499999, 0.500001, 0 dpwr:, 1, 0.12684106903469353, 0.047952797705435486 D-energy-components:, 15, 2, 0.500003, 0.499997, 0 @@ -62013,12 +58203,12 @@ iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.7456645965576172 +elapsed time for k point: 1.7214009761810303 D-energy-components:, 16, 1, 0, 0, 0 dpwr:, 1, 0.0, 0.0 D-energy-components:, 16, 2, 0.500003, 0.499997, 0 dpwr:, 2, 0.5527092320101988, 0.8567434642215929 -Outputting fields to /tmp/meepNmMUdV/test_output_dpwr_in_objects-0-d.k16.b02.te.h5... +Outputting fields to /tmp/meep1SOGmO/test_output_dpwr_in_objects-0-d.k16.b02.te.h5... D-energy-components:, 16, 3, 0.455928, 0.544072, 0 dpwr:, 3, 0.7732265593069757, 0.5288260828563163 D-energy-components:, 16, 4, 0.544076, 0.455924, 0 @@ -62042,11 +58232,11 @@ Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% -total elapsed time for run: 6.990345239639282 +total elapsed time for run: 14.385923147201538 done -/tmp/meepNmMUdV/test_output_dpwr_in_objects-0: 6.99s +/tmp/meep1SOGmO/test_output_dpwr_in_objects-0: 14.41s -/tmp/meepNmMUdV/test_output_efield_z-0 +/tmp/meep1SOGmO/test_output_efield_z-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -62089,7 +58279,7 @@ 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: 0.005057573318481445 +elapsed time for initialization: 0.010643720626831055 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... @@ -62225,7 +58415,7 @@ iteration 61: trace = 4.373720851032911 (3.63295e-11% change) Finished solving for bands 2 to 8 after 61 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.546027, 0.552094, 0.552096, 0.812093, 0.854314, 0.951107, 1.08259 -elapsed time for k point: 0.6155688762664795 +elapsed time for k point: 1.0146582126617432 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62276,7 +58466,7 @@ iteration 23: trace = 4.290857263081686 (9.13875e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0643671, 0.518896, 0.552617, 0.579095, 0.812721, 0.852958, 0.941428, 1.04995 -elapsed time for k point: 0.275515079498291 +elapsed time for k point: 0.491718053817749 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -62307,7 +58497,7 @@ iteration 13: trace = 4.208307958519127 (3.8665e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.126061, 0.48795, 0.553991, 0.610359, 0.812384, 0.849484, 0.912816, 1.02959 -elapsed time for k point: 0.13847804069519043 +elapsed time for k point: 0.2757441997528076 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62338,7 +58528,7 @@ iteration 13: trace = 4.150444015828809 (1.02932e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.181523, 0.45665, 0.555709, 0.644685, 0.802314, 0.845326, 0.880698, 1.025 -elapsed time for k point: 0.1915879249572754 +elapsed time for k point: 0.30568408966064453 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62369,7 +58559,7 @@ iteration 13: trace = 4.119598598621691 (1.07368e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.224302, 0.429317, 0.557116, 0.682524, 0.772176, 0.842059, 0.865404, 1.0269 -elapsed time for k point: 0.1288290023803711 +elapsed time for k point: 0.33420324325561523 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62400,7 +58590,7 @@ iteration 13: trace = 4.110777242725125 (6.69573e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.241821, 0.417114, 0.557658, 0.713395, 0.741311, 0.84083, 0.862516, 1.02856 -elapsed time for k point: 0.15613055229187012 +elapsed time for k point: 0.3198120594024658 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62429,7 +58619,7 @@ iteration 12: trace = 4.099489964274799 (2.50671e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.245235, 0.4236, 0.551085, 0.711571, 0.749855, 0.841982, 0.862609, 1.01714 -elapsed time for k point: 0.26412343978881836 +elapsed time for k point: 0.2917599678039551 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62456,7 +58646,7 @@ iteration 11: trace = 4.07945289580348 (8.21458e-11% change) Finished solving for bands 1 to 8 after 11 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.25442, 0.441321, 0.535034, 0.706018, 0.772267, 0.845818, 0.862861, 0.989395 -elapsed time for k point: 0.22761130332946777 +elapsed time for k point: 0.27379918098449707 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62485,7 +58675,7 @@ iteration 12: trace = 4.068759276129137 (1.19188e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.266397, 0.465222, 0.516482, 0.697068, 0.802974, 0.853388, 0.863228, 0.954203 -elapsed time for k point: 0.11933565139770508 +elapsed time for k point: 0.2700200080871582 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62518,7 +58708,7 @@ iteration 14: trace = 4.075526949349669 (2.60644e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.276774, 0.48701, 0.501823, 0.687264, 0.837704, 0.86397, 0.865932, 0.916273 -elapsed time for k point: 0.14482450485229492 +elapsed time for k point: 0.31366705894470215 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62553,7 +58743,7 @@ iteration 15: trace = 4.092150433618242 (9.10284e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.280948, 0.496196, 0.496197, 0.682617, 0.859474, 0.878316, 0.878316, 0.879351 -elapsed time for k point: 0.15696978569030762 +elapsed time for k point: 0.32121896743774414 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62590,7 +58780,7 @@ iteration 16: trace = 4.046652183676479 (2.14217e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.27141, 0.485365, 0.501693, 0.689111, 0.830636, 0.844978, 0.893706, 0.898991 -elapsed time for k point: 0.15748262405395508 +elapsed time for k point: 0.304689884185791 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -62619,7 +58809,7 @@ iteration 12: trace = 4.04451323639685 (3.20398e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.236529, 0.473888, 0.515941, 0.679199, 0.819377, 0.829518, 0.897603, 0.933446 -elapsed time for k point: 0.14026713371276855 +elapsed time for k point: 0.2809934616088867 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -62648,7 +58838,7 @@ iteration 12: trace = 4.113415259755486 (2.54788e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.172884, 0.482973, 0.533242, 0.640233, 0.819202, 0.838111, 0.910409, 0.976551 -elapsed time for k point: 0.10754823684692383 +elapsed time for k point: 0.2647671699523926 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62681,7 +58871,7 @@ iteration 14: trace = 4.240749642028247 (2.11324e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0904174, 0.510404, 0.546943, 0.593803, 0.81373, 0.851132, 0.935551, 1.02882 -elapsed time for k point: 0.23502111434936523 +elapsed time for k point: 0.31384730339050293 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. @@ -62813,7 +59003,7 @@ iteration 59: trace = 4.373720851594716 (8.84783e-11% change) Finished solving for bands 2 to 8 after 59 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.546027, 0.552094, 0.552096, 0.812093, 0.854314, 0.951107, 1.08259 -elapsed time for k point: 0.4221816062927246 +elapsed time for k point: 1.0108599662780762 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2809479535253731 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.41711424932466257 at Vector3<0.5, 0.0, 0.0> to 0.5460267793370305 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.4961974527654614 at Vector3<0.5, 0.5, 0.0> to 0.5576576362977227 at Vector3<0.5, 0.0, 0.0> @@ -62824,13 +59014,13 @@ Band 8 range: 0.8793510958294791 at Vector3<0.5, 0.5, 0.0> to 1.0825923841452936 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.2809479535253731) to band 2 (0.41711424932466257), 39.01265395643889% Gap from band 4 (0.7133951516423507) to band 5 (0.7413109657068669), 3.838000504924635% -total elapsed time for run: 3.48861026763916 +total elapsed time for run: 6.400393962860107 done Fixing e-field (band 8) phase by 2.45827e-08 + -1i; max ampl. = 1.49941 -.Outputting fields to /tmp/meepNmMUdV/test_output_efield_z-0-e.k16.b08.z.tm.h5... -/tmp/meepNmMUdV/test_output_efield_z-0: 3.50s +.Outputting fields to /tmp/meep1SOGmO/test_output_efield_z-0-e.k16.b08.z.tm.h5... +/tmp/meep1SOGmO/test_output_efield_z-0: 6.45s -/tmp/meepNmMUdV/test_output_field_to_file-0 +/tmp/meep1SOGmO/test_output_field_to_file-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -62873,7 +59063,7 @@ 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: 0.007391691207885742 +elapsed time for initialization: 0.002660989761352539 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... @@ -62984,7 +59174,7 @@ iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.4694337844848633 +elapsed time for k point: 0.9270586967468262 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -63235,7 +59425,7 @@ iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 2.037583827972412 +elapsed time for k point: 2.9132959842681885 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63292,7 +59482,7 @@ iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.22953224182128906 +elapsed time for k point: 0.5534932613372803 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63345,7 +59535,7 @@ iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.21238183975219727 +elapsed time for k point: 0.5156795978546143 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63406,7 +59596,7 @@ iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.2526412010192871 +elapsed time for k point: 0.5642204284667969 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63499,7 +59689,7 @@ iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.40070319175720215 +elapsed time for k point: 0.9827961921691895 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -63570,7 +59760,7 @@ iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.6091735363006592 +elapsed time for k point: 0.7426791191101074 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63631,7 +59821,7 @@ iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.42769336700439453 +elapsed time for k point: 0.6351649761199951 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63684,7 +59874,7 @@ iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.2157740592956543 +elapsed time for k point: 0.6168045997619629 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63736,7 +59926,7 @@ iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.614647626876831 +elapsed time for k point: 0.5278048515319824 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63788,7 +59978,7 @@ iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.2506394386291504 +elapsed time for k point: 0.4894835948944092 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63829,7 +60019,7 @@ iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.16842317581176758 +elapsed time for k point: 0.38623762130737305 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63876,7 +60066,7 @@ iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.7054460048675537 +elapsed time for k point: 0.45720863342285156 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63939,7 +60129,7 @@ iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.3909482955932617 +elapsed time for k point: 0.7147643566131592 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -64012,7 +60202,7 @@ iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.33698534965515137 +elapsed time for k point: 0.8455321788787842 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -64207,7 +60397,7 @@ iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 1.076521873474121 +elapsed time for k point: 1.5262784957885742 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> @@ -64219,13 +60409,13 @@ Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% -total elapsed time for run: 8.40816593170166 +total elapsed time for run: 13.403539419174194 done epsilon: 1-12, mean 2.38229, harm. mean 1.1448, 14.5508% > 1, 12.5663% "fill" -.Outputting /tmp/meepNmMUdV/test_output_field_to_file-0-epsilon.h5... -/tmp/meepNmMUdV/test_output_field_to_file-0: 8.43s +.Outputting /tmp/meep1SOGmO/test_output_field_to_file-0-epsilon.h5... +/tmp/meep1SOGmO/test_output_field_to_file-0: 13.53s -/tmp/meepNmMUdV/test_output_tot_pwr-0 +/tmp/meep1SOGmO/test_output_tot_pwr-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -64268,7 +60458,7 @@ 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: 0.004061222076416016 +elapsed time for initialization: 0.018784284591674805 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... @@ -64379,7 +60569,7 @@ iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.40833401679992676 +elapsed time for k point: 1.0308418273925781 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -64630,7 +60820,7 @@ iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 1.4974946975708008 +elapsed time for k point: 2.9079227447509766 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -64687,7 +60877,7 @@ iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.5751307010650635 +elapsed time for k point: 0.6877069473266602 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -64740,7 +60930,7 @@ iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.41330742835998535 +elapsed time for k point: 0.624504566192627 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -64801,7 +60991,7 @@ iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.23911094665527344 +elapsed time for k point: 0.738408088684082 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -64894,7 +61084,7 @@ iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.3789100646972656 +elapsed time for k point: 1.024906873703003 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -64965,7 +61155,7 @@ iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.427487850189209 +elapsed time for k point: 0.752471923828125 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -65026,7 +61216,7 @@ iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.27251267433166504 +elapsed time for k point: 0.7032768726348877 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -65079,7 +61269,7 @@ iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.22340679168701172 +elapsed time for k point: 0.5748484134674072 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -65131,7 +61321,7 @@ iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.2190849781036377 +elapsed time for k point: 0.5698962211608887 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -65183,7 +61373,7 @@ iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.20781254768371582 +elapsed time for k point: 0.5657596588134766 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -65224,7 +61414,7 @@ iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.17391443252563477 +elapsed time for k point: 0.4730253219604492 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -65271,7 +61461,7 @@ iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.191664457321167 +elapsed time for k point: 0.5068814754486084 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -65334,7 +61524,7 @@ iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.2915384769439697 +elapsed time for k point: 0.760045051574707 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -65407,7 +61597,7 @@ iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.4982473850250244 +elapsed time for k point: 0.9356234073638916 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -65602,7 +61792,7 @@ iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 1.1750588417053223 +elapsed time for k point: 1.8847849369049072 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> @@ -65614,16 +61804,16 @@ Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% -total elapsed time for run: 7.199263095855713 +total elapsed time for run: 14.761947870254517 done D-energy-components:, 16, 8, 0.499991, 0.500009, 0 B-energy-components:, 16, 8, 0, 0, 1 -Outputting /tmp/meepNmMUdV/test_output_tot_pwr-0-tot.rpwr.k16.b08.te.h5... +Outputting /tmp/meep1SOGmO/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/meepNmMUdV/test_output_tot_pwr-0: 7.21s +./tmp/meep1SOGmO/test_output_tot_pwr-0: 14.83s -/tmp/meepNmMUdV/test_point_defect_state-0 +/tmp/meep1SOGmO/test_point_defect_state-0 ======================== Initializing eigensolver data Computing 50 bands with 1e-12 tolerance @@ -65701,7 +61891,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.10210609436035156 +elapsed time for initialization: 0.20542240142822266 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... @@ -66227,321 +62417,321 @@ linmin: converged after 5 iterations. iteration 7: trace = 2.173760379118843 (0.435545% change) linmin: converged after 5 iterations. - iteration 8: trace = 2.167774130834347 (0.275766% change) + iteration 8: trace = 2.167774130834345 (0.275766% change) linmin: converged after 5 iterations. - iteration 9: trace = 2.163580412369534 (0.193645% change) + iteration 9: trace = 2.163580412369531 (0.193645% change) linmin: converged after 5 iterations. - iteration 10: trace = 2.159739063083734 (0.177704% change) + iteration 10: trace = 2.159739063083735 (0.177704% change) linmin: converged after 4 iterations. - iteration 11: trace = 2.15702209820651 (0.12588% change) + iteration 11: trace = 2.157022098206512 (0.12588% change) linmin: converged after 4 iterations. - iteration 12: trace = 2.155362899544596 (0.0769504% change) + iteration 12: trace = 2.155362899544595 (0.0769504% change) linmin: converged after 4 iterations. - iteration 13: trace = 2.15417469574553 (0.055143% change) + iteration 13: trace = 2.154174695745531 (0.055143% change) linmin: converged after 5 iterations. - iteration 14: trace = 2.153097710199354 (0.0500078% change) + iteration 14: trace = 2.153097710199355 (0.0500078% change) linmin: converged after 5 iterations. iteration 15: trace = 2.152356410752688 (0.0344354% change) linmin: converged after 5 iterations. - iteration 16: trace = 2.151804496012086 (0.0256456% change) + iteration 16: trace = 2.151804496012085 (0.0256456% change) linmin: converged after 5 iterations. - iteration 17: trace = 2.151338213212585 (0.0216717% change) + iteration 17: trace = 2.151338213212591 (0.0216717% change) linmin: converged after 4 iterations. - iteration 18: trace = 2.151061655416886 (0.012856% change) - linmin: converged after 5 iterations. - iteration 19: trace = 2.150823285355221 (0.0110821% change) + iteration 18: trace = 2.151061655416888 (0.012856% change) linmin: converged after 5 iterations. - iteration 20: trace = 2.150656547787729 (0.00775257% change) + iteration 19: trace = 2.150823285355223 (0.0110821% change) linmin: converged after 4 iterations. - iteration 21: trace = 2.150547249174877 (0.00508223% change) + iteration 20: trace = 2.150656547787734 (0.00775257% change) linmin: converged after 4 iterations. - iteration 22: trace = 2.150480112751344 (0.00312188% change) + iteration 21: trace = 2.150547249174874 (0.00508223% change) linmin: converged after 4 iterations. - iteration 23: trace = 2.150447078138263 (0.00153616% change) + iteration 22: trace = 2.150480112751347 (0.00312188% change) + linmin: converged after 4 iterations. + iteration 23: trace = 2.150447078138262 (0.00153616% change) + linmin: converged after 6 iterations. + iteration 24: trace = 2.150426792532528 (0.000943325% change) linmin: converged after 5 iterations. - iteration 24: trace = 2.150426792532505 (0.000943325% change) + iteration 25: trace = 2.150415528122599 (0.000523823% change) linmin: converged after 4 iterations. - iteration 25: trace = 2.150415528122167 (0.000523823% change) + iteration 26: trace = 2.150409798893993 (0.000266425% change) linmin: converged after 4 iterations. - iteration 26: trace = 2.150409798893981 (0.000266425% change) - linmin: converged after 6 iterations. - iteration 27: trace = 2.150405289612916 (0.000209694% change) + iteration 27: trace = 2.150405289612995 (0.000209694% change) linmin: converged after 5 iterations. - iteration 28: trace = 2.150402141190802 (0.000146411% change) + iteration 28: trace = 2.150402141190848 (0.000146411% change) linmin: converged after 5 iterations. - iteration 29: trace = 2.150399522462351 (0.000121779% change) - linmin: converged after 8 iterations. - iteration 30: trace = 2.150396650386881 (0.00013356% change) + iteration 29: trace = 2.150399522462378 (0.000121779% change) + linmin: converged after 6 iterations. + iteration 30: trace = 2.15039665038708 (0.00013356% change) linmin: converged after 5 iterations. - iteration 31: trace = 2.150393099657709 (0.00016512% change) + iteration 31: trace = 2.150393099657722 (0.00016512% change) linmin: converged after 6 iterations. - iteration 32: trace = 2.150387655108673 (0.000253189% change) + iteration 32: trace = 2.150387655108852 (0.000253189% change) linmin: converged after 5 iterations. - iteration 33: trace = 2.1503807915581 (0.000319178% change) + iteration 33: trace = 2.150380791558313 (0.000319178% change) + linmin: converged after 6 iterations. + iteration 34: trace = 2.150373779754988 (0.000326073% change) + linmin: converged after 6 iterations. + iteration 35: trace = 2.150366764597099 (0.00032623% change) + linmin: converged after 7 iterations. + iteration 36: trace = 2.150359397062003 (0.000342618% change) linmin: converged after 5 iterations. - iteration 34: trace = 2.15037377975487 (0.000326073% change) + iteration 37: trace = 2.150351903688224 (0.000348471% change) linmin: converged after 5 iterations. - iteration 35: trace = 2.150366764596702 (0.00032623% change) + iteration 38: trace = 2.150343144581451 (0.000407334% change) linmin: converged after 6 iterations. - iteration 36: trace = 2.150359397061859 (0.000342618% change) + iteration 39: trace = 2.150335244515378 (0.000367387% change) linmin: converged after 6 iterations. - iteration 37: trace = 2.150351903689407 (0.000348471% change) - linmin: converged after 11 iterations. - iteration 38: trace = 2.150343144579903 (0.000407335% change) + iteration 40: trace = 2.150328828223113 (0.000298386% change) linmin: converged after 5 iterations. - iteration 39: trace = 2.15033524451654 (0.000367387% change) - linmin: converged after 4 iterations. - iteration 40: trace = 2.150328828221297 (0.000298386% change) + iteration 41: trace = 2.150323123442618 (0.000265298% change) linmin: converged after 5 iterations. - iteration 41: trace = 2.150323123441815 (0.000265298% change) + iteration 42: trace = 2.150319840871887 (0.000152655% change) linmin: converged after 3 iterations. - iteration 42: trace = 2.150319840871659 (0.000152655% change) - linmin: converged after 3 iterations. - iteration 43: trace = 2.150317369711702 (0.000114921% change) - linmin: converged after 6 iterations. - iteration 44: trace = 2.15031548574945 (8.76133e-05% change) + iteration 43: trace = 2.150317369712293 (0.000114921% change) + linmin: converged after 10 iterations. + iteration 44: trace = 2.150315485749122 (8.76133e-05% change) + linmin: converged after 4 iterations. + iteration 45: trace = 2.150314485103233 (4.65349e-05% change) linmin: converged after 3 iterations. - iteration 45: trace = 2.150314485103042 (4.65349e-05% change) - linmin: converged after 7 iterations. - iteration 46: trace = 2.150313850325226 (2.95202e-05% change) + iteration 46: trace = 2.150313850325438 (2.95202e-05% change) linmin: converged after 5 iterations. - iteration 47: trace = 2.150313567748621 (1.31412e-05% change) - linmin: converged after 7 iterations. - iteration 48: trace = 2.150313402389803 (7.68999e-06% change) + iteration 47: trace = 2.150313567748734 (1.31412e-05% change) linmin: converged after 5 iterations. - iteration 49: trace = 2.150313290594153 (5.19904e-06% change) - linmin: converged after 6 iterations. - iteration 50: trace = 2.150313233311027 (2.66394e-06% change) - linmin: converged after 8 iterations. - iteration 51: trace = 2.150313205104588 (1.31174e-06% change) - linmin: converged after 2 iterations. - iteration 52: trace = 2.150313191064193 (6.52947e-07% change) - linmin: converged after 2 iterations. - iteration 53: trace = 2.150313183156648 (3.67739e-07% change) + iteration 48: trace = 2.150313402389934 (7.68999e-06% change) + linmin: converged after 7 iterations. + iteration 49: trace = 2.150313290594287 (5.19904e-06% change) + linmin: converged after 7 iterations. + iteration 50: trace = 2.150313233313265 (2.66385e-06% change) + linmin: converged after 10 iterations. + iteration 51: trace = 2.150313205104854 (1.31183e-06% change) + linmin: converged after 3 iterations. + iteration 52: trace = 2.150313191064191 (6.52959e-07% change) linmin: converged after 2 iterations. - iteration 54: trace = 2.150313178006798 (2.39493e-07% change) + iteration 53: trace = 2.150313183156568 (3.67743e-07% change) linmin: converged after 4 iterations. - iteration 55: trace = 2.15031317468481 (1.54489e-07% change) + iteration 54: trace = 2.150313178006574 (2.395e-07% change) linmin: converged after 4 iterations. - iteration 56: trace = 2.150313172987311 (7.89419e-08% change) + iteration 55: trace = 2.150313174684764 (1.5448e-07% change) + linmin: converged after 4 iterations. + iteration 56: trace = 2.150313172987224 (7.89439e-08% change) + linmin: converged after 21 iterations. + iteration 57: trace = 2.150313171840691 (5.33193e-08% change) linmin: converged after 3 iterations. - iteration 57: trace = 2.150313171840801 (5.33183e-08% change) + iteration 58: trace = 2.150313171039512 (3.72587e-08% change) + linmin: converged after 13 iterations. + iteration 59: trace = 2.150313170619235 (1.95449e-08% change) linmin: converged after 2 iterations. - iteration 58: trace = 2.150313171039609 (3.72593e-08% change) - linmin: converged after 4 iterations. - iteration 59: trace = 2.150313170619346 (1.95442e-08% change) + iteration 60: trace = 2.15031317031079 (1.43442e-08% change) linmin: converged after 3 iterations. - iteration 60: trace = 2.150313170310902 (1.43442e-08% change) + iteration 61: trace = 2.150313170079609 (1.0751e-08% change) + linmin: converged after 3 iterations. + iteration 62: trace = 2.150313169877512 (9.39851e-09% change) linmin: converged after 2 iterations. - iteration 61: trace = 2.150313170079691 (1.07524e-08% change) + iteration 63: trace = 2.150313169681881 (9.09777e-09% change) linmin: converged after 2 iterations. - iteration 62: trace = 2.15031316987761 (9.39775e-09% change) - linmin: converged after 4 iterations. - iteration 63: trace = 2.150313169681972 (9.09815e-09% change) - linmin: converged after 6 iterations. - iteration 64: trace = 2.150313169527739 (7.17259e-09% change) - linmin: converged after 3 iterations. - iteration 65: trace = 2.15031316935002 (8.26478e-09% change) + iteration 64: trace = 2.150313169527683 (7.17098e-09% change) linmin: converged after 2 iterations. - iteration 66: trace = 2.150313169165146 (8.59755e-09% change) - linmin: converged after 5 iterations. - iteration 67: trace = 2.150313168972199 (8.97295e-09% change) - linmin: converged after 4 iterations. - iteration 68: trace = 2.150313168727388 (1.13849e-08% change) + iteration 65: trace = 2.150313169349942 (8.26582e-09% change) + linmin: converged after 2 iterations. + iteration 66: trace = 2.150313169165071 (8.59741e-09% change) + linmin: converged after 11 iterations. + iteration 67: trace = 2.150313168972158 (8.97138e-09% change) + linmin: converged after 2 iterations. + iteration 68: trace = 2.150313168727332 (1.13856e-08% change) linmin: converged after 3 iterations. - iteration 69: trace = 2.150313168488697 (1.11003e-08% change) + iteration 69: trace = 2.150313168488646 (1.11001e-08% change) resetting CG direction... - linmin: converged after 6 iterations. - iteration 70: trace = 2.15031316838449 (4.84615e-09% change) - linmin: converged after 3 iterations. - iteration 71: trace = 2.150313168200631 (8.55034e-09% change) + linmin: converged after 2 iterations. + iteration 70: trace = 2.150313168384446 (4.84579e-09% change) linmin: converged after 3 iterations. - iteration 72: trace = 2.150313168068283 (6.15482e-09% change) + iteration 71: trace = 2.150313168200573 (8.55098e-09% change) linmin: converged after 2 iterations. - iteration 73: trace = 2.150313167955831 (5.22958e-09% change) - linmin: converged after 4 iterations. - iteration 74: trace = 2.150313167849667 (4.93712e-09% change) + iteration 72: trace = 2.150313168068241 (6.1541e-09% change) linmin: converged after 2 iterations. - iteration 75: trace = 2.150313167775666 (3.44142e-09% change) + iteration 73: trace = 2.150313167955788 (5.22962e-09% change) linmin: converged after 3 iterations. - iteration 76: trace = 2.15031316769171 (3.90438e-09% change) - linmin: converged after 2 iterations. - iteration 77: trace = 2.150313167607504 (3.91597e-09% change) + iteration 74: trace = 2.150313167849613 (4.93761e-09% change) + linmin: converged after 3 iterations. + iteration 75: trace = 2.150313167775622 (3.44096e-09% change) + linmin: converged after 3 iterations. + iteration 76: trace = 2.150313167691678 (3.90378e-09% change) linmin: converged after 2 iterations. - iteration 78: trace = 2.150313167538014 (3.23163e-09% change) + iteration 77: trace = 2.150313167607472 (3.91603e-09% change) linmin: converged after 2 iterations. - iteration 79: trace = 2.150313167462598 (3.50719e-09% change) + iteration 78: trace = 2.150313167537983 (3.23157e-09% change) linmin: converged after 2 iterations. - iteration 80: trace = 2.150313167392543 (3.25792e-09% change) + iteration 79: trace = 2.150313167462588 (3.5062e-09% change) + linmin: converged after 6 iterations. + iteration 80: trace = 2.150313167392504 (3.25928e-09% change) linmin: converged after 2 iterations. - iteration 81: trace = 2.15031316730351 (4.14044e-09% change) - linmin: converged after 3 iterations. - iteration 82: trace = 2.150313167175226 (5.96583e-09% change) + iteration 81: trace = 2.150313167303481 (4.13996e-09% change) linmin: converged after 4 iterations. - iteration 83: trace = 2.150313167058024 (5.45049e-09% change) + iteration 82: trace = 2.150313167175205 (5.96546e-09% change) + linmin: converged after 2 iterations. + iteration 83: trace = 2.150313167058008 (5.45023e-09% change) linmin: converged after 6 iterations. - iteration 84: trace = 2.150313166920506 (6.39525e-09% change) + iteration 84: trace = 2.150313166920491 (6.39521e-09% change) linmin: converged after 2 iterations. - iteration 85: trace = 2.150313166761667 (7.38677e-09% change) + iteration 85: trace = 2.150313166761648 (7.38698e-09% change) linmin: converged after 3 iterations. - iteration 86: trace = 2.150313166661037 (4.67979e-09% change) - linmin: converged after 2 iterations. - iteration 87: trace = 2.150313166582903 (3.63359e-09% change) - linmin: converged after 7 iterations. - iteration 88: trace = 2.150313166516761 (3.07593e-09% change) - linmin: converged after 2 iterations. - iteration 89: trace = 2.150313166476429 (1.87564e-09% change) - linmin: converged after 4 iterations. - iteration 90: trace = 2.15031316645396 (1.0449e-09% change) + iteration 86: trace = 2.150313166661039 (4.67882e-09% change) + linmin: converged after 3 iterations. + iteration 87: trace = 2.150313166582913 (3.63324e-09% change) linmin: converged after 4 iterations. - iteration 91: trace = 2.150313166443228 (4.99104e-10% change) - linmin: converged after 6 iterations. - iteration 92: trace = 2.150313166437209 (2.79901e-10% change) + iteration 88: trace = 2.150313166516767 (3.0761e-09% change) + linmin: converged after 3 iterations. + iteration 89: trace = 2.150313166476436 (1.87558e-09% change) + linmin: converged after 3 iterations. + iteration 90: trace = 2.150313166453959 (1.04532e-09% change) linmin: converged after 4 iterations. - iteration 93: trace = 2.150313166432872 (2.0169e-10% change) + iteration 91: trace = 2.150313166443228 (4.99022e-10% change) + linmin: converged after 2 iterations. + iteration 92: trace = 2.150313166437208 (2.79963e-10% change) linmin: converged after 3 iterations. - iteration 94: trace = 2.150313166430776 (9.74995e-11% change) + iteration 93: trace = 2.150313166432881 (2.01236e-10% change) + linmin: converged after 7 iterations. + iteration 94: trace = 2.15031316643078 (9.7706e-11% change) Finished solving for bands 31 to 40 after 94 iterations. Solving for bands 41 to 50... near maximum in trace + linmin: converged after 13 iterations. + iteration 1: trace = 8.545615064988477 (191.103% change) linmin: converged after 8 iterations. - iteration 1: trace = 8.545615064955346 (191.103% change) - linmin: converged after 8 iterations. - iteration 2: trace = 3.261177021002489 (89.5152% change) + iteration 2: trace = 3.261177020959319 (89.5152% change) linmin: converged after 6 iterations. - iteration 3: trace = 2.735430573230346 (17.5348% change) - linmin: converged after 5 iterations. - iteration 4: trace = 2.599623175194042 (5.09114% change) + iteration 3: trace = 2.735430573200602 (17.5348% change) linmin: converged after 6 iterations. - iteration 5: trace = 2.527777768746663 (2.80241% change) + iteration 4: trace = 2.599623175177841 (5.09114% change) linmin: converged after 6 iterations. - iteration 6: trace = 2.486971986915944 (1.62743% change) - linmin: converged after 5 iterations. - iteration 7: trace = 2.468814644289866 (0.732773% change) + iteration 5: trace = 2.527777768730765 (2.80241% change) + linmin: converged after 6 iterations. + iteration 6: trace = 2.486971986894361 (1.62743% change) linmin: converged after 5 iterations. - iteration 8: trace = 2.458530008775574 (0.417451% change) + iteration 7: trace = 2.468814644263359 (0.732773% change) + linmin: converged after 7 iterations. + iteration 8: trace = 2.458530008747287 (0.417451% change) linmin: converged after 5 iterations. - iteration 9: trace = 2.452010604897636 (0.265527% change) + iteration 9: trace = 2.452010604792638 (0.265527% change) linmin: converged after 5 iterations. - iteration 10: trace = 2.446951935982947 (0.20652% change) + iteration 10: trace = 2.446951935961674 (0.20652% change) linmin: converged after 5 iterations. - iteration 11: trace = 2.443000264868221 (0.161624% change) + iteration 11: trace = 2.443000264878866 (0.161624% change) linmin: converged after 4 iterations. - iteration 12: trace = 2.440801958887805 (0.0900244% change) + iteration 12: trace = 2.440801958902615 (0.0900244% change) linmin: converged after 4 iterations. - iteration 13: trace = 2.439651917262315 (0.0471285% change) + iteration 13: trace = 2.439651917245068 (0.0471285% change) linmin: converged after 5 iterations. - iteration 14: trace = 2.438794386057058 (0.0351559% change) + iteration 14: trace = 2.438794386046162 (0.0351559% change) linmin: converged after 5 iterations. - iteration 15: trace = 2.43802281526741 (0.0316424% change) + iteration 15: trace = 2.438022815245383 (0.0316424% change) linmin: converged after 5 iterations. - iteration 16: trace = 2.437314214189137 (0.0290688% change) + iteration 16: trace = 2.437314214162286 (0.0290688% change) linmin: converged after 5 iterations. - iteration 17: trace = 2.436427434798389 (0.0363901% change) + iteration 17: trace = 2.436427434786529 (0.0363901% change) linmin: converged after 5 iterations. - iteration 18: trace = 2.435606064887636 (0.0337177% change) + iteration 18: trace = 2.435606064883372 (0.0337177% change) linmin: converged after 5 iterations. - iteration 19: trace = 2.435080522321182 (0.0215798% change) + iteration 19: trace = 2.435080522313934 (0.0215798% change) linmin: converged after 5 iterations. - iteration 20: trace = 2.434730903995121 (0.0143586% change) + iteration 20: trace = 2.434730903992929 (0.0143586% change) linmin: converged after 5 iterations. - iteration 21: trace = 2.434515489424045 (0.00884796% change) + iteration 21: trace = 2.434515489420207 (0.00884796% change) linmin: converged after 4 iterations. - iteration 22: trace = 2.434390156492517 (0.0051483% change) + iteration 22: trace = 2.43439015648767 (0.0051483% change) linmin: converged after 4 iterations. - iteration 23: trace = 2.434289942129963 (0.0041167% change) + iteration 23: trace = 2.43428994212513 (0.0041167% change) linmin: converged after 4 iterations. - iteration 24: trace = 2.434215166718979 (0.0030718% change) + iteration 24: trace = 2.434215166715971 (0.0030718% change) linmin: converged after 4 iterations. - iteration 25: trace = 2.43415114846057 (0.00262997% change) - linmin: converged after 5 iterations. - iteration 26: trace = 2.434099388359106 (0.00212644% change) + iteration 25: trace = 2.43415114845797 (0.00262997% change) linmin: converged after 4 iterations. - iteration 27: trace = 2.434069520682713 (0.00122706% change) - linmin: converged after 6 iterations. - iteration 28: trace = 2.434051894177385 (0.00072416% change) + iteration 26: trace = 2.434099388359072 (0.00212644% change) + linmin: converged after 4 iterations. + iteration 27: trace = 2.434069520683534 (0.00122706% change) + linmin: converged after 4 iterations. + iteration 28: trace = 2.434051894177866 (0.00072416% change) linmin: converged after 6 iterations. - iteration 29: trace = 2.434040920659748 (0.000450834% change) + iteration 29: trace = 2.434040920660008 (0.000450834% change) linmin: converged after 6 iterations. - iteration 30: trace = 2.434034872115986 (0.000248498% change) + iteration 30: trace = 2.434034872116067 (0.000248498% change) linmin: converged after 5 iterations. - iteration 31: trace = 2.434031134496804 (0.000153557% change) + iteration 31: trace = 2.434031134496718 (0.000153557% change) linmin: converged after 5 iterations. - iteration 32: trace = 2.434028967612147 (8.90246e-05% change) + iteration 32: trace = 2.434028967612021 (8.90246e-05% change) linmin: converged after 5 iterations. - iteration 33: trace = 2.434027725302595 (5.10392e-05% change) - linmin: converged after 6 iterations. - iteration 34: trace = 2.434026886520718 (3.44607e-05% change) + iteration 33: trace = 2.434027725302496 (5.10392e-05% change) linmin: converged after 5 iterations. - iteration 35: trace = 2.43402613865067 (3.07256e-05% change) + iteration 34: trace = 2.43402688652064 (3.44607e-05% change) linmin: converged after 5 iterations. - iteration 36: trace = 2.4340254509205 (2.82548e-05% change) + iteration 35: trace = 2.434026138650661 (3.07256e-05% change) linmin: converged after 5 iterations. - iteration 37: trace = 2.434024951043304 (2.05371e-05% change) + iteration 36: trace = 2.434025450920533 (2.82548e-05% change) linmin: converged after 5 iterations. - iteration 38: trace = 2.434024674066363 (1.13794e-05% change) + iteration 37: trace = 2.434024951043302 (2.05371e-05% change) linmin: converged after 5 iterations. - iteration 39: trace = 2.434024546234761 (5.25186e-06% change) + iteration 38: trace = 2.434024674066367 (1.13794e-05% change) + linmin: converged after 11 iterations. + iteration 39: trace = 2.434024546234764 (5.25186e-06% change) linmin: converged after 4 iterations. - iteration 40: trace = 2.434024472707927 (3.02079e-06% change) - linmin: converged after 7 iterations. - iteration 41: trace = 2.434024422642368 (2.0569e-06% change) + iteration 40: trace = 2.434024472708239 (3.02078e-06% change) + linmin: converged after 16 iterations. + iteration 41: trace = 2.434024422641628 (2.05695e-06% change) linmin: converged after 5 iterations. - iteration 42: trace = 2.434024388298618 (1.41099e-06% change) - linmin: converged after 7 iterations. - iteration 43: trace = 2.434024363245329 (1.02929e-06% change) - linmin: converged after 2 iterations. - iteration 44: trace = 2.434024345052931 (7.47421e-07% change) - linmin: converged after 3 iterations. - iteration 45: trace = 2.434024334362956 (4.39189e-07% change) - linmin: converged after 7 iterations. - iteration 46: trace = 2.434024326948149 (3.04632e-07% change) + iteration 42: trace = 2.434024388298194 (1.41097e-06% change) + linmin: converged after 10 iterations. + iteration 43: trace = 2.434024363245127 (1.02929e-06% change) linmin: converged after 2 iterations. - iteration 47: trace = 2.434024320899215 (2.48516e-07% change) + iteration 44: trace = 2.434024345052513 (7.47429e-07% change) linmin: converged after 2 iterations. - iteration 48: trace = 2.434024317216479 (1.51302e-07% change) + iteration 45: trace = 2.434024334362809 (4.39178e-07% change) linmin: converged after 2 iterations. - iteration 49: trace = 2.434024315166997 (8.42014e-08% change) + iteration 46: trace = 2.434024326947982 (3.04632e-07% change) linmin: converged after 2 iterations. - iteration 50: trace = 2.434024314138602 (4.22508e-08% change) + iteration 47: trace = 2.434024320899082 (2.48514e-07% change) + linmin: converged after 3 iterations. + iteration 48: trace = 2.434024317216461 (1.51298e-07% change) linmin: converged after 2 iterations. - iteration 51: trace = 2.434024313589948 (2.2541e-08% change) + iteration 49: trace = 2.434024315166989 (8.4201e-08% change) linmin: converged after 2 iterations. - iteration 52: trace = 2.434024313234822 (1.45901e-08% change) + iteration 50: trace = 2.434024314138627 (4.22495e-08% change) + linmin: converged after 3 iterations. + iteration 51: trace = 2.434024313589964 (2.25414e-08% change) + linmin: converged after 3 iterations. + iteration 52: trace = 2.434024313234834 (1.45902e-08% change) + linmin: converged after 3 iterations. + iteration 53: trace = 2.434024312971761 (1.08082e-08% change) + linmin: converged after 5 iterations. + iteration 54: trace = 2.434024312719699 (1.03558e-08% change) linmin: converged after 2 iterations. - iteration 53: trace = 2.434024312971753 (1.0808e-08% change) + iteration 55: trace = 2.434024312512227 (8.5238e-09% change) linmin: converged after 2 iterations. - iteration 54: trace = 2.434024312719689 (1.03559e-08% change) - linmin: converged after 4 iterations. - iteration 55: trace = 2.434024312512236 (8.52303e-09% change) + iteration 56: trace = 2.434024312381284 (5.3797e-09% change) linmin: converged after 4 iterations. - iteration 56: trace = 2.434024312381283 (5.38009e-09% change) + iteration 57: trace = 2.434024312305171 (3.12702e-09% change) linmin: converged after 3 iterations. - iteration 57: trace = 2.434024312305164 (3.12729e-09% change) - linmin: converged after 4 iterations. - iteration 58: trace = 2.434024312262389 (1.7574e-09% change) - linmin: converged after 6 iterations. - iteration 59: trace = 2.434024312237017 (1.0424e-09% change) - linmin: converged after 5 iterations. - iteration 60: trace = 2.434024312222584 (5.92946e-10% change) + iteration 58: trace = 2.434024312262395 (1.75746e-09% change) + linmin: converged after 3 iterations. + iteration 59: trace = 2.434024312237022 (1.04241e-09% change) linmin: converged after 4 iterations. - iteration 61: trace = 2.434024312214287 (3.40891e-10% change) + iteration 60: trace = 2.434024312222581 (5.93293e-10% change) linmin: converged after 3 iterations. - iteration 62: trace = 2.434024312207971 (2.59463e-10% change) - linmin: converged after 6 iterations. - iteration 63: trace = 2.434024312203509 (1.83326e-10% change) + iteration 61: trace = 2.434024312214297 (3.40325e-10% change) + linmin: converged after 3 iterations. + iteration 62: trace = 2.434024312207981 (2.59518e-10% change) linmin: converged after 3 iterations. - iteration 64: trace = 2.434024312200225 (1.34922e-10% change) + iteration 63: trace = 2.434024312203503 (1.83983e-10% change) linmin: converged after 3 iterations. - iteration 65: trace = 2.434024312197838 (9.80672e-11% change) + iteration 64: trace = 2.434024312200226 (1.3463e-10% change) + linmin: converged after 3 iterations. + iteration 65: trace = 2.43402431219786 (9.72097e-11% change) Finished solving for bands 41 to 50 after 65 iterations. Finished k-point with 79.8 mean iterations/band. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.0904454, 0.0904609, 0.0904609, 0.0944816, 0.190067, 0.190067, 0.190067, 0.190068, 0.19007, 0.190245, 0.190245, 0.203237, 0.237196, 0.237298, 0.237298, 0.240872, 0.246066, 0.246066, 0.246066, 0.257408, 0.267453, 0.26748, 0.26748, 0.279812, 0.3773, 0.423294, 0.423305, 0.426098, 0.426099, 0.460406, 0.460406, 0.460407, 0.460423, 0.460426, 0.46271, 0.462711, 0.465484, 0.465538, 0.469456, 0.469457, 0.469856, 0.474575, 0.480164, 0.480164, 0.490505, 0.499359, 0.49936, 0.511689, 0.51273, 0.51273 -elapsed time for k point: 100.2739486694336 -total elapsed time for run: 100.37641787528992 +elapsed time for k point: 266.27387714385986 +total elapsed time for run: 266.47976636886597 done Fixing e-field (band 25) phase by -0.243926 + -0.969794i; max ampl. = 0.816569 -Outputting fields to /tmp/meepNmMUdV/test_point_defect_state-0-e.k01.b25.z.tm.h5... +Outputting fields to /tmp/meep1SOGmO/test_point_defect_state-0-e.k01.b25.z.tm.h5... Fixing d-field (band 25) phase by -1 + -3.2103e-07i; max ampl. = 3.30563 D-energy-components:, 1, 25, 0, 0, 1 Initializing eigensolver data @@ -66621,7 +62811,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.024844884872436523 +elapsed time for initialization: 0.06142425537109375 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -66758,245 +62948,245 @@ iteration 58: trace = 0.00104513236917925 (1.91429% change) large trace change predicted (5.01463%) linmin: converged after 3 iterations. - iteration 59: trace = 0.0009893701135198292 (5.48166% change) + iteration 59: trace = 0.0009893701135198281 (5.48166% change) linmin: converged after 4 iterations. - iteration 60: trace = 0.0009134884190754299 (7.97555% change) + iteration 60: trace = 0.0009134884190754318 (7.97555% change) linmin: converged after 3 iterations. - iteration 61: trace = 0.0008747574426590694 (4.33173% change) + iteration 61: trace = 0.0008747574426590745 (4.33173% change) linmin: converged after 4 iterations. - iteration 62: trace = 0.000858354469847563 (1.89289% change) + iteration 62: trace = 0.000858354469847565 (1.89289% change) linmin: converged after 4 iterations. - iteration 63: trace = 0.0008424113301520909 (1.87482% change) + iteration 63: trace = 0.0008424113301520901 (1.87482% change) linmin: converged after 3 iterations. - iteration 64: trace = 0.0008152380191264975 (3.27854% change) + iteration 64: trace = 0.0008152380191264982 (3.27854% change) linmin: converged after 3 iterations. - iteration 65: trace = 0.0007878477209784779 (3.4172% change) + iteration 65: trace = 0.0007878477209784786 (3.4172% change) linmin: converged after 4 iterations. - iteration 66: trace = 0.0007745627297707618 (1.70058% change) + iteration 66: trace = 0.0007745627297707628 (1.70058% change) linmin: converged after 4 iterations. - iteration 67: trace = 0.0007672194415439325 (0.952571% change) + iteration 67: trace = 0.0007672194415439306 (0.952571% change) linmin: converged after 4 iterations. - iteration 68: trace = 0.0007562123534745165 (1.44504% change) + iteration 68: trace = 0.0007562123534745159 (1.44504% change) large trace change predicted (3.45965%) linmin: converged after 3 iterations. - iteration 69: trace = 0.0007292232463818413 (3.63383% change) + iteration 69: trace = 0.0007292232463818434 (3.63383% change) resetting CG direction... linmin: converged after 3 iterations. - iteration 70: trace = 0.0007201718788796592 (1.24899% change) + iteration 70: trace = 0.000720171878879658 (1.24899% change) large trace change predicted (5.3862%) linmin: converged after 3 iterations. - iteration 71: trace = 0.0006820040470914168 (5.44409% change) + iteration 71: trace = 0.0006820040470914096 (5.44409% change) linmin: converged after 3 iterations. - iteration 72: trace = 0.0006742704060955676 (1.14042% change) + iteration 72: trace = 0.0006742704060955606 (1.14042% change) large trace change predicted (28.309%) linmin: converged after 4 iterations. - iteration 73: trace = 0.0005003027005612641 (29.6223% change) + iteration 73: trace = 0.0005003027005619296 (29.6223% change) linmin: converged after 3 iterations. - iteration 74: trace = 0.0004903658384017742 (2.00609% change) + iteration 74: trace = 0.000490365838401777 (2.00609% change) large trace change predicted (6.19981%) linmin: converged after 4 iterations. - iteration 75: trace = 0.0004599272329149532 (6.40615% change) + iteration 75: trace = 0.0004599272329149868 (6.40615% change) linmin: converged after 3 iterations. - iteration 76: trace = 0.0004555356683804523 (0.959419% change) + iteration 76: trace = 0.0004555356683804556 (0.959419% change) linmin: converged after 3 iterations. - iteration 77: trace = 0.0004549395883227713 (0.130938% change) + iteration 77: trace = 0.00045493958832287 (0.130938% change) large trace change predicted (0.67778%) linmin: converged after 3 iterations. - iteration 78: trace = 0.0004518602134421152 (0.679174% change) + iteration 78: trace = 0.0004518602134421153 (0.679174% change) linmin: converged after 3 iterations. - iteration 79: trace = 0.0004469389689295624 (1.09507% change) + iteration 79: trace = 0.0004469389689300242 (1.09507% change) linmin: converged after 3 iterations. - iteration 80: trace = 0.0004430305347444902 (0.87833% change) + iteration 80: trace = 0.0004430305347445143 (0.87833% change) linmin: converged after 3 iterations. - iteration 81: trace = 0.000442607425356213 (0.0955491% change) + iteration 81: trace = 0.0004426074253562628 (0.0955491% change) large trace change predicted (1.38401%) linmin: converged after 3 iterations. - iteration 82: trace = 0.0004365008052143807 (1.38928% change) + iteration 82: trace = 0.0004365008052143844 (1.38928% change) linmin: converged after 2 iterations. - iteration 83: trace = 0.0004357919435499626 (0.162528% change) + iteration 83: trace = 0.0004357919435503435 (0.162528% change) large trace change predicted (0.763752%) linmin: converged after 4 iterations. - iteration 84: trace = 0.0004324623297514571 (0.766967% change) + iteration 84: trace = 0.0004324623297514738 (0.766967% change) linmin: converged after 2 iterations. - iteration 85: trace = 0.0004322890730010333 (0.0400709% change) + iteration 85: trace = 0.000432289073001036 (0.0400709% change) large trace change predicted (1.24372%) linmin: converged after 4 iterations. - iteration 86: trace = 0.0004268775609671831 (1.25971% change) + iteration 86: trace = 0.0004268775609673482 (1.25971% change) linmin: converged after 2 iterations. - iteration 87: trace = 0.000426488620218934 (0.0911545% change) + iteration 87: trace = 0.000426488620218929 (0.0911545% change) large trace change predicted (0.708716%) linmin: converged after 4 iterations. - iteration 88: trace = 0.0004234535788968159 (0.714176% change) + iteration 88: trace = 0.0004234535788968569 (0.714176% change) linmin: converged after 2 iterations. - iteration 89: trace = 0.0004232426024739935 (0.0498352% change) + iteration 89: trace = 0.0004232426024739949 (0.0498352% change) large trace change predicted (0.349643%) linmin: converged after 4 iterations. - iteration 90: trace = 0.0004217579218232346 (0.351403% change) + iteration 90: trace = 0.0004217579218241389 (0.351403% change) linmin: converged after 4 iterations. - iteration 91: trace = 0.0004207658759738886 (0.235494% change) + iteration 91: trace = 0.0004207658759738874 (0.235494% change) linmin: converged after 4 iterations. - iteration 92: trace = 0.000419643806578354 (0.267029% change) + iteration 92: trace = 0.0004196438065784965 (0.267029% change) linmin: converged after 4 iterations. - iteration 93: trace = 0.0004186306125287615 (0.241733% change) + iteration 93: trace = 0.0004186306125287541 (0.241733% change) linmin: converged after 2 iterations. - iteration 94: trace = 0.0004184953846838694 (0.0323076% change) + iteration 94: trace = 0.0004184953846839999 (0.0323076% change) large trace change predicted (0.125504%) linmin: converged after 4 iterations. - iteration 95: trace = 0.0004179692102346542 (0.125809% change) + iteration 95: trace = 0.0004179692102346515 (0.125809% change) linmin: converged after 4 iterations. - iteration 96: trace = 0.0004174146485233506 (0.132768% change) + iteration 96: trace = 0.0004174146485235401 (0.132768% change) linmin: converged after 4 iterations. - iteration 97: trace = 0.0004169210653863518 (0.118318% change) + iteration 97: trace = 0.0004169210653863607 (0.118318% change) linmin: converged after 2 iterations. - iteration 98: trace = 0.000416895351652614 (0.00616772% change) + iteration 98: trace = 0.0004168953516526212 (0.00616772% change) large trace change predicted (0.194111%) linmin: converged after 4 iterations. - iteration 99: trace = 0.0004160835439875391 (0.194917% change) + iteration 99: trace = 0.0004160835439875339 (0.194917% change) linmin: converged after 2 iterations. - iteration 100: trace = 0.0004159547361826709 (0.030962% change) + iteration 100: trace = 0.0004159547361828121 (0.030962% change) linmin: converged after 2 iterations. - iteration 101: trace = 0.0004157198047668428 (0.056496% change) + iteration 101: trace = 0.0004157198047668405 (0.056496% change) linmin: converged after 2 iterations. - iteration 102: trace = 0.0004156861673653842 (0.00809169% change) + iteration 102: trace = 0.0004156861673654086 (0.00809169% change) large trace change predicted (0.161367%) linmin: converged after 3 iterations. - iteration 103: trace = 0.0004150157701166503 (0.161405% change) + iteration 103: trace = 0.0004150157701166531 (0.161405% change) linmin: converged after 2 iterations. - iteration 104: trace = 0.0004149907929756055 (0.00601854% change) + iteration 104: trace = 0.0004149907929756343 (0.00601854% change) large trace change predicted (0.0549512%) linmin: converged after 3 iterations. - iteration 105: trace = 0.0004147628363877637 (0.0549456% change) + iteration 105: trace = 0.0004147628363877602 (0.0549456% change) linmin: converged after 2 iterations. - iteration 106: trace = 0.00041473941894106 (0.00564614% change) + iteration 106: trace = 0.0004147394189410975 (0.00564614% change) large trace change predicted (0.0338928%) linmin: converged after 3 iterations. - iteration 107: trace = 0.000414598893949622 (0.0338885% change) + iteration 107: trace = 0.0004145988939496256 (0.0338885% change) linmin: converged after 2 iterations. - iteration 108: trace = 0.0004145923269926535 (0.00158394% change) + iteration 108: trace = 0.0004145923269926584 (0.00158394% change) large trace change predicted (0.0368808%) linmin: converged after 3 iterations. - iteration 109: trace = 0.0004144394960417982 (0.0368697% change) + iteration 109: trace = 0.0004144394960417955 (0.0368697% change) linmin: converged after 3 iterations. - iteration 110: trace = 0.0004143662526703229 (0.0176744% change) + iteration 110: trace = 0.0004143662526703303 (0.0176744% change) linmin: converged after 3 iterations. - iteration 111: trace = 0.0004143003725873108 (0.0159003% change) + iteration 111: trace = 0.0004143003725873115 (0.0159003% change) linmin: converged after 2 iterations. - iteration 112: trace = 0.0004142972990297597 (0.00074187% change) + iteration 112: trace = 0.0004142972990297622 (0.00074187% change) large trace change predicted (0.0409684%) linmin: converged after 3 iterations. - iteration 113: trace = 0.000414127940130185 (0.0408869% change) + iteration 113: trace = 0.0004141279401301865 (0.0408869% change) linmin: converged after 2 iterations. - iteration 114: trace = 0.0004141257884175342 (0.000519578% change) + iteration 114: trace = 0.0004141257884175344 (0.000519578% change) large trace change predicted (0.00468265%) linmin: converged after 3 iterations. - iteration 115: trace = 0.0004141063987730488 (0.00468218% change) + iteration 115: trace = 0.0004141063987730476 (0.00468218% change) linmin: converged after 2 iterations. - iteration 116: trace = 0.0004141042374139382 (0.000521935% change) + iteration 116: trace = 0.0004141042374139381 (0.000521935% change) large trace change predicted (0.0181301%) linmin: converged after 2 iterations. - iteration 117: trace = 0.0004140291493707971 (0.0181343% change) + iteration 117: trace = 0.000414029149370798 (0.0181343% change) linmin: converged after 2 iterations. - iteration 118: trace = 0.0004140277758762924 (0.000331739% change) + iteration 118: trace = 0.0004140277758762922 (0.000331739% change) large trace change predicted (0.00913413%) linmin: converged after 2 iterations. - iteration 119: trace = 0.0004139899444001971 (0.00913784% change) + iteration 119: trace = 0.0004139899444001901 (0.00913784% change) linmin: converged after 2 iterations. - iteration 120: trace = 0.0004139873451098017 (0.000627865% change) + iteration 120: trace = 0.0004139873451097992 (0.000627865% change) large trace change predicted (0.00364927%) linmin: converged after 2 iterations. - iteration 121: trace = 0.0004139722345276518 (0.00365008% change) + iteration 121: trace = 0.0004139722345276474 (0.00365008% change) linmin: converged after 2 iterations. - iteration 122: trace = 0.0004139689704135331 (0.000788489% change) + iteration 122: trace = 0.0004139689704135286 (0.000788489% change) large trace change predicted (0.00587122%) linmin: converged after 2 iterations. - iteration 123: trace = 0.0004139446555861704 (0.00587376% change) + iteration 123: trace = 0.000413944655586168 (0.00587376% change) linmin: converged after 2 iterations. - iteration 124: trace = 0.0004139442371920818 (0.000101075% change) + iteration 124: trace = 0.000413944237192082 (0.000101075% change) large trace change predicted (0.000893311%) linmin: converged after 2 iterations. - iteration 125: trace = 0.0004139405390532763 (0.000893395% change) + iteration 125: trace = 0.0004139405390532732 (0.000893395% change) linmin: converged after 2 iterations. - iteration 126: trace = 0.0004139381541982404 (0.000576136% change) + iteration 126: trace = 0.0004139381541982378 (0.000576136% change) linmin: converged after 2 iterations. - iteration 127: trace = 0.0004139350539611409 (0.000748964% change) + iteration 127: trace = 0.0004139350539611391 (0.000748964% change) linmin: converged after 2 iterations. - iteration 128: trace = 0.0004139349273143466 (3.05958e-05% change) + iteration 128: trace = 0.0004139349273143458 (3.05958e-05% change) large trace change predicted (0.000511258%) linmin: converged after 2 iterations. - iteration 129: trace = 0.0004139328107957864 (0.000511318% change) + iteration 129: trace = 0.0004139328107957841 (0.000511318% change) linmin: converged after 2 iterations. - iteration 130: trace = 0.0004139318232555436 (0.000238575% change) + iteration 130: trace = 0.0004139318232555446 (0.000238575% change) linmin: converged after 2 iterations. - iteration 131: trace = 0.0004139304983430069 (0.00032008% change) + iteration 131: trace = 0.0004139304983430083 (0.00032008% change) linmin: converged after 2 iterations. - iteration 132: trace = 0.000413930426336523 (1.73958e-05% change) + iteration 132: trace = 0.0004139304263365201 (1.73958e-05% change) large trace change predicted (0.000339426%) linmin: converged after 2 iterations. - iteration 133: trace = 0.000413929021229246 (0.000339456% change) + iteration 133: trace = 0.0004139290212292437 (0.000339456% change) linmin: converged after 2 iterations. - iteration 134: trace = 0.000413928869425541 (3.66739e-05% change) + iteration 134: trace = 0.0004139288694255449 (3.66739e-05% change) large trace change predicted (0.000224736%) linmin: converged after 2 iterations. - iteration 135: trace = 0.0004139279391458814 (0.000224744% change) + iteration 135: trace = 0.0004139279391458783 (0.000224744% change) linmin: converged after 2 iterations. - iteration 136: trace = 0.0004139270056164055 (0.00022553% change) + iteration 136: trace = 0.0004139270056164049 (0.00022553% change) linmin: converged after 2 iterations. - iteration 137: trace = 0.0004139264559420506 (0.000132795% change) + iteration 137: trace = 0.0004139264559420514 (0.000132795% change) linmin: converged after 2 iterations. - iteration 138: trace = 0.0004139264207779527 (8.49525e-06% change) + iteration 138: trace = 0.0004139264207779513 (8.49525e-06% change) large trace change predicted (7.61595e-05%) linmin: converged after 2 iterations. - iteration 139: trace = 0.0004139261055340373 (7.61594e-05% change) + iteration 139: trace = 0.0004139261055340439 (7.61594e-05% change) resetting CG direction... linmin: converged after 2 iterations. - iteration 140: trace = 0.0004139258681095767 (5.73592e-05% change) + iteration 140: trace = 0.0004139258681095789 (5.73592e-05% change) linmin: converged after 2 iterations. - iteration 141: trace = 0.0004139258431681084 (6.02559e-06% change) + iteration 141: trace = 0.0004139258431681121 (6.02559e-06% change) large trace change predicted (7.23448e-05%) linmin: converged after 2 iterations. - iteration 142: trace = 0.0004139255437176683 (7.2344e-05% change) + iteration 142: trace = 0.0004139255437176716 (7.2344e-05% change) linmin: converged after 2 iterations. - iteration 143: trace = 0.0004139249894461562 (0.000133906% change) + iteration 143: trace = 0.0004139249894461593 (0.000133906% change) linmin: converged after 2 iterations. - iteration 144: trace = 0.0004139249792129146 (2.47225e-06% change) + iteration 144: trace = 0.0004139249792129126 (2.47225e-06% change) large trace change predicted (7.06562e-05%) linmin: converged after 2 iterations. - iteration 145: trace = 0.0004139246867594979 (7.06538e-05% change) + iteration 145: trace = 0.0004139246867595031 (7.06537e-05% change) linmin: converged after 2 iterations. - iteration 146: trace = 0.0004139245182543499 (4.07091e-05% change) + iteration 146: trace = 0.000413924518254658 (4.07091e-05% change) linmin: converged after 2 iterations. - iteration 147: trace = 0.0004139244454850215 (1.75803e-05% change) + iteration 147: trace = 0.0004139244454850266 (1.75804e-05% change) linmin: converged after 2 iterations. - iteration 148: trace = 0.0004139244240451057 (5.17967e-06% change) + iteration 148: trace = 0.0004139244240452606 (5.17963e-06% change) large trace change predicted (4.81328e-05%) linmin: converged after 2 iterations. - iteration 149: trace = 0.0004139242248159992 (4.81318e-05% change) + iteration 149: trace = 0.0004139242248160028 (4.81318e-05% change) linmin: converged after 2 iterations. - iteration 150: trace = 0.0004139240693342946 (3.75628e-05% change) + iteration 150: trace = 0.0004139240693342984 (3.75628e-05% change) linmin: converged after 2 iterations. - iteration 151: trace = 0.0004139239641619101 (2.54086e-05% change) + iteration 151: trace = 0.0004139239641619481 (2.54086e-05% change) linmin: converged after 2 iterations. - iteration 152: trace = 0.0004139239522114461 (2.88712e-06% change) - large trace change predicted (2.76653e-05%) + iteration 152: trace = 0.0004139239522114494 (2.88712e-06% change) + large trace change predicted (2.7665e-05%) linmin: converged after 2 iterations. - iteration 153: trace = 0.0004139238376982467 (2.76653e-05% change) + iteration 153: trace = 0.0004139238376993716 (2.7665e-05% change) linmin: converged after 2 iterations. - iteration 154: trace = 0.0004139237782389009 (1.43648e-05% change) + iteration 154: trace = 0.0004139237782389006 (1.43651e-05% change) linmin: converged after 2 iterations. - iteration 155: trace = 0.0004139236861952396 (2.22369e-05% change) + iteration 155: trace = 0.0004139236861952543 (2.22369e-05% change) linmin: converged after 2 iterations. - iteration 156: trace = 0.0004139236797092943 (1.56694e-06% change) + iteration 156: trace = 0.0004139236797092934 (1.56695e-06% change) large trace change predicted (1.2381e-05%) linmin: converged after 2 iterations. - iteration 157: trace = 0.0004139236284611274 (1.23811e-05% change) + iteration 157: trace = 0.0004139236284611265 (1.23811e-05% change) linmin: converged after 2 iterations. - iteration 158: trace = 0.0004139236190765908 (2.26721e-06% change) + iteration 158: trace = 0.0004139236190766696 (2.2672e-06% change) linmin: converged after 2 iterations. - iteration 159: trace = 0.0004139236165391871 (6.13013e-07% change) + iteration 159: trace = 0.0004139236165391864 (6.13032e-07% change) Finished solving for bands 1 to 1 after 159 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.3773 -elapsed time for k point: 2.555441379547119 -total elapsed time for run: 2.5804591178894043 +elapsed time for k point: 6.5643932819366455 +total elapsed time for run: 6.625992774963379 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -67076,7 +63266,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.024846315383911133 +elapsed time for initialization: 0.06112861633300781 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -67213,245 +63403,245 @@ iteration 58: trace = 0.00104513236917925 (1.91429% change) large trace change predicted (5.01463%) linmin: converged after 3 iterations. - iteration 59: trace = 0.0009893701135198292 (5.48166% change) + iteration 59: trace = 0.0009893701135198281 (5.48166% change) linmin: converged after 4 iterations. - iteration 60: trace = 0.0009134884190754299 (7.97555% change) + iteration 60: trace = 0.0009134884190754318 (7.97555% change) linmin: converged after 3 iterations. - iteration 61: trace = 0.0008747574426590694 (4.33173% change) + iteration 61: trace = 0.0008747574426590745 (4.33173% change) linmin: converged after 4 iterations. - iteration 62: trace = 0.000858354469847563 (1.89289% change) + iteration 62: trace = 0.000858354469847565 (1.89289% change) linmin: converged after 4 iterations. - iteration 63: trace = 0.0008424113301520909 (1.87482% change) + iteration 63: trace = 0.0008424113301520901 (1.87482% change) linmin: converged after 3 iterations. - iteration 64: trace = 0.0008152380191264975 (3.27854% change) + iteration 64: trace = 0.0008152380191264982 (3.27854% change) linmin: converged after 3 iterations. - iteration 65: trace = 0.0007878477209784779 (3.4172% change) + iteration 65: trace = 0.0007878477209784786 (3.4172% change) linmin: converged after 4 iterations. - iteration 66: trace = 0.0007745627297707618 (1.70058% change) + iteration 66: trace = 0.0007745627297707628 (1.70058% change) linmin: converged after 4 iterations. - iteration 67: trace = 0.0007672194415439325 (0.952571% change) + iteration 67: trace = 0.0007672194415439306 (0.952571% change) linmin: converged after 4 iterations. - iteration 68: trace = 0.0007562123534745165 (1.44504% change) + iteration 68: trace = 0.0007562123534745159 (1.44504% change) large trace change predicted (3.45965%) linmin: converged after 3 iterations. - iteration 69: trace = 0.0007292232463818413 (3.63383% change) + iteration 69: trace = 0.0007292232463818434 (3.63383% change) resetting CG direction... linmin: converged after 3 iterations. - iteration 70: trace = 0.0007201718788796592 (1.24899% change) + iteration 70: trace = 0.000720171878879658 (1.24899% change) large trace change predicted (5.3862%) linmin: converged after 3 iterations. - iteration 71: trace = 0.0006820040470914168 (5.44409% change) + iteration 71: trace = 0.0006820040470914096 (5.44409% change) linmin: converged after 3 iterations. - iteration 72: trace = 0.0006742704060955676 (1.14042% change) + iteration 72: trace = 0.0006742704060955606 (1.14042% change) large trace change predicted (28.309%) linmin: converged after 4 iterations. - iteration 73: trace = 0.0005003027005612641 (29.6223% change) + iteration 73: trace = 0.0005003027005619296 (29.6223% change) linmin: converged after 3 iterations. - iteration 74: trace = 0.0004903658384017742 (2.00609% change) + iteration 74: trace = 0.000490365838401777 (2.00609% change) large trace change predicted (6.19981%) linmin: converged after 4 iterations. - iteration 75: trace = 0.0004599272329149532 (6.40615% change) + iteration 75: trace = 0.0004599272329149868 (6.40615% change) linmin: converged after 3 iterations. - iteration 76: trace = 0.0004555356683804523 (0.959419% change) + iteration 76: trace = 0.0004555356683804556 (0.959419% change) linmin: converged after 3 iterations. - iteration 77: trace = 0.0004549395883227713 (0.130938% change) + iteration 77: trace = 0.00045493958832287 (0.130938% change) large trace change predicted (0.67778%) linmin: converged after 3 iterations. - iteration 78: trace = 0.0004518602134421152 (0.679174% change) + iteration 78: trace = 0.0004518602134421153 (0.679174% change) linmin: converged after 3 iterations. - iteration 79: trace = 0.0004469389689295624 (1.09507% change) + iteration 79: trace = 0.0004469389689300242 (1.09507% change) linmin: converged after 3 iterations. - iteration 80: trace = 0.0004430305347444902 (0.87833% change) + iteration 80: trace = 0.0004430305347445143 (0.87833% change) linmin: converged after 3 iterations. - iteration 81: trace = 0.000442607425356213 (0.0955491% change) + iteration 81: trace = 0.0004426074253562628 (0.0955491% change) large trace change predicted (1.38401%) linmin: converged after 3 iterations. - iteration 82: trace = 0.0004365008052143807 (1.38928% change) + iteration 82: trace = 0.0004365008052143844 (1.38928% change) linmin: converged after 2 iterations. - iteration 83: trace = 0.0004357919435499626 (0.162528% change) + iteration 83: trace = 0.0004357919435503435 (0.162528% change) large trace change predicted (0.763752%) linmin: converged after 4 iterations. - iteration 84: trace = 0.0004324623297514571 (0.766967% change) + iteration 84: trace = 0.0004324623297514738 (0.766967% change) linmin: converged after 2 iterations. - iteration 85: trace = 0.0004322890730010333 (0.0400709% change) + iteration 85: trace = 0.000432289073001036 (0.0400709% change) large trace change predicted (1.24372%) linmin: converged after 4 iterations. - iteration 86: trace = 0.0004268775609671831 (1.25971% change) + iteration 86: trace = 0.0004268775609673482 (1.25971% change) linmin: converged after 2 iterations. - iteration 87: trace = 0.000426488620218934 (0.0911545% change) + iteration 87: trace = 0.000426488620218929 (0.0911545% change) large trace change predicted (0.708716%) linmin: converged after 4 iterations. - iteration 88: trace = 0.0004234535788968159 (0.714176% change) + iteration 88: trace = 0.0004234535788968569 (0.714176% change) linmin: converged after 2 iterations. - iteration 89: trace = 0.0004232426024739935 (0.0498352% change) + iteration 89: trace = 0.0004232426024739949 (0.0498352% change) large trace change predicted (0.349643%) linmin: converged after 4 iterations. - iteration 90: trace = 0.0004217579218232346 (0.351403% change) + iteration 90: trace = 0.0004217579218241389 (0.351403% change) linmin: converged after 4 iterations. - iteration 91: trace = 0.0004207658759738886 (0.235494% change) + iteration 91: trace = 0.0004207658759738874 (0.235494% change) linmin: converged after 4 iterations. - iteration 92: trace = 0.000419643806578354 (0.267029% change) + iteration 92: trace = 0.0004196438065784965 (0.267029% change) linmin: converged after 4 iterations. - iteration 93: trace = 0.0004186306125287615 (0.241733% change) + iteration 93: trace = 0.0004186306125287541 (0.241733% change) linmin: converged after 2 iterations. - iteration 94: trace = 0.0004184953846838694 (0.0323076% change) + iteration 94: trace = 0.0004184953846839999 (0.0323076% change) large trace change predicted (0.125504%) linmin: converged after 4 iterations. - iteration 95: trace = 0.0004179692102346542 (0.125809% change) + iteration 95: trace = 0.0004179692102346515 (0.125809% change) linmin: converged after 4 iterations. - iteration 96: trace = 0.0004174146485233506 (0.132768% change) + iteration 96: trace = 0.0004174146485235401 (0.132768% change) linmin: converged after 4 iterations. - iteration 97: trace = 0.0004169210653863518 (0.118318% change) + iteration 97: trace = 0.0004169210653863607 (0.118318% change) linmin: converged after 2 iterations. - iteration 98: trace = 0.000416895351652614 (0.00616772% change) + iteration 98: trace = 0.0004168953516526212 (0.00616772% change) large trace change predicted (0.194111%) linmin: converged after 4 iterations. - iteration 99: trace = 0.0004160835439875391 (0.194917% change) + iteration 99: trace = 0.0004160835439875339 (0.194917% change) linmin: converged after 2 iterations. - iteration 100: trace = 0.0004159547361826709 (0.030962% change) + iteration 100: trace = 0.0004159547361828121 (0.030962% change) linmin: converged after 2 iterations. - iteration 101: trace = 0.0004157198047668428 (0.056496% change) + iteration 101: trace = 0.0004157198047668405 (0.056496% change) linmin: converged after 2 iterations. - iteration 102: trace = 0.0004156861673653842 (0.00809169% change) + iteration 102: trace = 0.0004156861673654086 (0.00809169% change) large trace change predicted (0.161367%) linmin: converged after 3 iterations. - iteration 103: trace = 0.0004150157701166503 (0.161405% change) + iteration 103: trace = 0.0004150157701166531 (0.161405% change) linmin: converged after 2 iterations. - iteration 104: trace = 0.0004149907929756055 (0.00601854% change) + iteration 104: trace = 0.0004149907929756343 (0.00601854% change) large trace change predicted (0.0549512%) linmin: converged after 3 iterations. - iteration 105: trace = 0.0004147628363877637 (0.0549456% change) + iteration 105: trace = 0.0004147628363877602 (0.0549456% change) linmin: converged after 2 iterations. - iteration 106: trace = 0.00041473941894106 (0.00564614% change) + iteration 106: trace = 0.0004147394189410975 (0.00564614% change) large trace change predicted (0.0338928%) linmin: converged after 3 iterations. - iteration 107: trace = 0.000414598893949622 (0.0338885% change) + iteration 107: trace = 0.0004145988939496256 (0.0338885% change) linmin: converged after 2 iterations. - iteration 108: trace = 0.0004145923269926535 (0.00158394% change) + iteration 108: trace = 0.0004145923269926584 (0.00158394% change) large trace change predicted (0.0368808%) linmin: converged after 3 iterations. - iteration 109: trace = 0.0004144394960417982 (0.0368697% change) + iteration 109: trace = 0.0004144394960417955 (0.0368697% change) linmin: converged after 3 iterations. - iteration 110: trace = 0.0004143662526703229 (0.0176744% change) + iteration 110: trace = 0.0004143662526703303 (0.0176744% change) linmin: converged after 3 iterations. - iteration 111: trace = 0.0004143003725873108 (0.0159003% change) + iteration 111: trace = 0.0004143003725873115 (0.0159003% change) linmin: converged after 2 iterations. - iteration 112: trace = 0.0004142972990297597 (0.00074187% change) + iteration 112: trace = 0.0004142972990297622 (0.00074187% change) large trace change predicted (0.0409684%) linmin: converged after 3 iterations. - iteration 113: trace = 0.000414127940130185 (0.0408869% change) + iteration 113: trace = 0.0004141279401301865 (0.0408869% change) linmin: converged after 2 iterations. - iteration 114: trace = 0.0004141257884175342 (0.000519578% change) + iteration 114: trace = 0.0004141257884175344 (0.000519578% change) large trace change predicted (0.00468265%) linmin: converged after 3 iterations. - iteration 115: trace = 0.0004141063987730488 (0.00468218% change) + iteration 115: trace = 0.0004141063987730476 (0.00468218% change) linmin: converged after 2 iterations. - iteration 116: trace = 0.0004141042374139382 (0.000521935% change) + iteration 116: trace = 0.0004141042374139381 (0.000521935% change) large trace change predicted (0.0181301%) linmin: converged after 2 iterations. - iteration 117: trace = 0.0004140291493707971 (0.0181343% change) + iteration 117: trace = 0.000414029149370798 (0.0181343% change) linmin: converged after 2 iterations. - iteration 118: trace = 0.0004140277758762924 (0.000331739% change) + iteration 118: trace = 0.0004140277758762922 (0.000331739% change) large trace change predicted (0.00913413%) linmin: converged after 2 iterations. - iteration 119: trace = 0.0004139899444001971 (0.00913784% change) + iteration 119: trace = 0.0004139899444001901 (0.00913784% change) linmin: converged after 2 iterations. - iteration 120: trace = 0.0004139873451098017 (0.000627865% change) + iteration 120: trace = 0.0004139873451097992 (0.000627865% change) large trace change predicted (0.00364927%) linmin: converged after 2 iterations. - iteration 121: trace = 0.0004139722345276518 (0.00365008% change) + iteration 121: trace = 0.0004139722345276474 (0.00365008% change) linmin: converged after 2 iterations. - iteration 122: trace = 0.0004139689704135331 (0.000788489% change) + iteration 122: trace = 0.0004139689704135286 (0.000788489% change) large trace change predicted (0.00587122%) linmin: converged after 2 iterations. - iteration 123: trace = 0.0004139446555861704 (0.00587376% change) + iteration 123: trace = 0.000413944655586168 (0.00587376% change) linmin: converged after 2 iterations. - iteration 124: trace = 0.0004139442371920818 (0.000101075% change) + iteration 124: trace = 0.000413944237192082 (0.000101075% change) large trace change predicted (0.000893311%) linmin: converged after 2 iterations. - iteration 125: trace = 0.0004139405390532763 (0.000893395% change) + iteration 125: trace = 0.0004139405390532732 (0.000893395% change) linmin: converged after 2 iterations. - iteration 126: trace = 0.0004139381541982404 (0.000576136% change) + iteration 126: trace = 0.0004139381541982378 (0.000576136% change) linmin: converged after 2 iterations. - iteration 127: trace = 0.0004139350539611409 (0.000748964% change) + iteration 127: trace = 0.0004139350539611391 (0.000748964% change) linmin: converged after 2 iterations. - iteration 128: trace = 0.0004139349273143466 (3.05958e-05% change) + iteration 128: trace = 0.0004139349273143458 (3.05958e-05% change) large trace change predicted (0.000511258%) linmin: converged after 2 iterations. - iteration 129: trace = 0.0004139328107957864 (0.000511318% change) + iteration 129: trace = 0.0004139328107957841 (0.000511318% change) linmin: converged after 2 iterations. - iteration 130: trace = 0.0004139318232555436 (0.000238575% change) + iteration 130: trace = 0.0004139318232555446 (0.000238575% change) linmin: converged after 2 iterations. - iteration 131: trace = 0.0004139304983430069 (0.00032008% change) + iteration 131: trace = 0.0004139304983430083 (0.00032008% change) linmin: converged after 2 iterations. - iteration 132: trace = 0.000413930426336523 (1.73958e-05% change) + iteration 132: trace = 0.0004139304263365201 (1.73958e-05% change) large trace change predicted (0.000339426%) linmin: converged after 2 iterations. - iteration 133: trace = 0.000413929021229246 (0.000339456% change) + iteration 133: trace = 0.0004139290212292437 (0.000339456% change) linmin: converged after 2 iterations. - iteration 134: trace = 0.000413928869425541 (3.66739e-05% change) + iteration 134: trace = 0.0004139288694255449 (3.66739e-05% change) large trace change predicted (0.000224736%) linmin: converged after 2 iterations. - iteration 135: trace = 0.0004139279391458814 (0.000224744% change) + iteration 135: trace = 0.0004139279391458783 (0.000224744% change) linmin: converged after 2 iterations. - iteration 136: trace = 0.0004139270056164055 (0.00022553% change) + iteration 136: trace = 0.0004139270056164049 (0.00022553% change) linmin: converged after 2 iterations. - iteration 137: trace = 0.0004139264559420506 (0.000132795% change) + iteration 137: trace = 0.0004139264559420514 (0.000132795% change) linmin: converged after 2 iterations. - iteration 138: trace = 0.0004139264207779527 (8.49525e-06% change) + iteration 138: trace = 0.0004139264207779513 (8.49525e-06% change) large trace change predicted (7.61595e-05%) linmin: converged after 2 iterations. - iteration 139: trace = 0.0004139261055340373 (7.61594e-05% change) + iteration 139: trace = 0.0004139261055340439 (7.61594e-05% change) resetting CG direction... linmin: converged after 2 iterations. - iteration 140: trace = 0.0004139258681095767 (5.73592e-05% change) + iteration 140: trace = 0.0004139258681095789 (5.73592e-05% change) linmin: converged after 2 iterations. - iteration 141: trace = 0.0004139258431681084 (6.02559e-06% change) + iteration 141: trace = 0.0004139258431681121 (6.02559e-06% change) large trace change predicted (7.23448e-05%) linmin: converged after 2 iterations. - iteration 142: trace = 0.0004139255437176683 (7.2344e-05% change) + iteration 142: trace = 0.0004139255437176716 (7.2344e-05% change) linmin: converged after 2 iterations. - iteration 143: trace = 0.0004139249894461562 (0.000133906% change) + iteration 143: trace = 0.0004139249894461593 (0.000133906% change) linmin: converged after 2 iterations. - iteration 144: trace = 0.0004139249792129146 (2.47225e-06% change) + iteration 144: trace = 0.0004139249792129126 (2.47225e-06% change) large trace change predicted (7.06562e-05%) linmin: converged after 2 iterations. - iteration 145: trace = 0.0004139246867594979 (7.06538e-05% change) + iteration 145: trace = 0.0004139246867595031 (7.06537e-05% change) linmin: converged after 2 iterations. - iteration 146: trace = 0.0004139245182543499 (4.07091e-05% change) + iteration 146: trace = 0.000413924518254658 (4.07091e-05% change) linmin: converged after 2 iterations. - iteration 147: trace = 0.0004139244454850215 (1.75803e-05% change) + iteration 147: trace = 0.0004139244454850266 (1.75804e-05% change) linmin: converged after 2 iterations. - iteration 148: trace = 0.0004139244240451057 (5.17967e-06% change) + iteration 148: trace = 0.0004139244240452606 (5.17963e-06% change) large trace change predicted (4.81328e-05%) linmin: converged after 2 iterations. - iteration 149: trace = 0.0004139242248159992 (4.81318e-05% change) + iteration 149: trace = 0.0004139242248160028 (4.81318e-05% change) linmin: converged after 2 iterations. - iteration 150: trace = 0.0004139240693342946 (3.75628e-05% change) + iteration 150: trace = 0.0004139240693342984 (3.75628e-05% change) linmin: converged after 2 iterations. - iteration 151: trace = 0.0004139239641619101 (2.54086e-05% change) + iteration 151: trace = 0.0004139239641619481 (2.54086e-05% change) linmin: converged after 2 iterations. - iteration 152: trace = 0.0004139239522114461 (2.88712e-06% change) - large trace change predicted (2.76653e-05%) + iteration 152: trace = 0.0004139239522114494 (2.88712e-06% change) + large trace change predicted (2.7665e-05%) linmin: converged after 2 iterations. - iteration 153: trace = 0.0004139238376982467 (2.76653e-05% change) + iteration 153: trace = 0.0004139238376993716 (2.7665e-05% change) linmin: converged after 2 iterations. - iteration 154: trace = 0.0004139237782389009 (1.43648e-05% change) + iteration 154: trace = 0.0004139237782389006 (1.43651e-05% change) linmin: converged after 2 iterations. - iteration 155: trace = 0.0004139236861952396 (2.22369e-05% change) + iteration 155: trace = 0.0004139236861952543 (2.22369e-05% change) linmin: converged after 2 iterations. - iteration 156: trace = 0.0004139236797092943 (1.56694e-06% change) + iteration 156: trace = 0.0004139236797092934 (1.56695e-06% change) large trace change predicted (1.2381e-05%) linmin: converged after 2 iterations. - iteration 157: trace = 0.0004139236284611274 (1.23811e-05% change) + iteration 157: trace = 0.0004139236284611265 (1.23811e-05% change) linmin: converged after 2 iterations. - iteration 158: trace = 0.0004139236190765908 (2.26721e-06% change) + iteration 158: trace = 0.0004139236190766696 (2.2672e-06% change) linmin: converged after 2 iterations. - iteration 159: trace = 0.0004139236165391871 (6.13013e-07% change) + iteration 159: trace = 0.0004139236165391864 (6.13032e-07% change) Finished solving for bands 1 to 1 after 159 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.3773 -elapsed time for k point: 2.0361547470092773 -total elapsed time for run: 2.061166524887085 +elapsed time for k point: 4.126333236694336 +total elapsed time for run: 4.187606334686279 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -67531,7 +63721,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.02043008804321289 +elapsed time for initialization: 0.026699542999267578 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -67976,8 +64166,8 @@ iteration 187: trace = 0.001795102514608241 (4.93553e-07% change) Finished solving for bands 1 to 1 after 187 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.282209 -elapsed time for k point: 2.61398983001709 -total elapsed time for run: 2.634540319442749 +elapsed time for k point: 6.153330326080322 +total elapsed time for run: 6.180211067199707 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -68057,7 +64247,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.023279190063476562 +elapsed time for initialization: 0.04489421844482422 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -68390,8 +64580,8 @@ iteration 144: trace = 0.0009724596426331909 (7.79284e-07% change) Finished solving for bands 1 to 1 after 144 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.301374 -elapsed time for k point: 2.082120180130005 -total elapsed time for run: 2.105523109436035 +elapsed time for k point: 8.387190580368042 +total elapsed time for run: 8.432234525680542 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -68471,309 +64661,309 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.022374391555786133 +elapsed time for initialization: 0.07735013961791992 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. - iteration 1: trace = 0.01396244070952001 (199.998% change) + iteration 1: trace = 0.01396244070952 (199.998% change) linmin: converged after 7 iterations. - iteration 2: trace = 0.01327734802514242 (5.03009% change) + iteration 2: trace = 0.01327734802514248 (5.03009% change) linmin: converged after 6 iterations. - iteration 3: trace = 0.01312938938238878 (1.12061% change) + iteration 3: trace = 0.0131293893823858 (1.12061% change) near maximum in trace linmin: converged after 7 iterations. - iteration 4: trace = 0.01143971570304361 (13.7545% change) + iteration 4: trace = 0.01143971570355348 (13.7545% change) linmin: converged after 8 iterations. - iteration 5: trace = 0.0105661862593834 (7.93905% change) + iteration 5: trace = 0.01056618625955219 (7.93905% change) linmin: converged after 6 iterations. - iteration 6: trace = 0.01008942352517646 (4.6163% change) + iteration 6: trace = 0.01008942352510294 (4.6163% change) linmin: converged after 6 iterations. - iteration 7: trace = 0.009853432414314828 (2.36667% change) + iteration 7: trace = 0.009853432413979776 (2.36667% change) linmin: converged after 9 iterations. - iteration 8: trace = 0.00879644737201061 (11.335% change) + iteration 8: trace = 0.008796447371257093 (11.335% change) linmin: converged after 6 iterations. - iteration 9: trace = 0.008458573892327015 (3.91623% change) + iteration 9: trace = 0.008458573891971312 (3.91623% change) linmin: converged after 5 iterations. - iteration 10: trace = 0.008228863765741978 (2.75309% change) + iteration 10: trace = 0.008228863764865695 (2.75309% change) large trace change predicted (6.26136%) linmin: converged after 8 iterations. - iteration 11: trace = 0.006959104853007302 (16.7206% change) + iteration 11: trace = 0.006959104851833582 (16.7206% change) linmin: converged after 5 iterations. - iteration 12: trace = 0.006731675903006996 (3.32237% change) + iteration 12: trace = 0.006731675902091234 (3.32237% change) linmin: converged after 5 iterations. - iteration 13: trace = 0.006525014650750336 (3.11784% change) + iteration 13: trace = 0.006525014650039604 (3.11784% change) linmin: converged after 8 iterations. - iteration 14: trace = 0.005693152944302004 (13.6168% change) + iteration 14: trace = 0.005693152944034019 (13.6168% change) linmin: converged after 5 iterations. - iteration 15: trace = 0.005504795126336618 (3.36415% change) + iteration 15: trace = 0.005504795126198728 (3.36415% change) linmin: converged after 5 iterations. - iteration 16: trace = 0.005182224286438158 (6.03668% change) + iteration 16: trace = 0.005182224286211165 (6.03668% change) linmin: converged after 6 iterations. - iteration 17: trace = 0.0044105513144986 (16.0886% change) + iteration 17: trace = 0.004410551313957203 (16.0886% change) linmin: converged after 4 iterations. - iteration 18: trace = 0.004283910858601568 (2.91313% change) + iteration 18: trace = 0.004283910857964777 (2.91313% change) linmin: converged after 4 iterations. - iteration 19: trace = 0.004224603984099812 (1.39406% change) + iteration 19: trace = 0.004224603983516382 (1.39406% change) large trace change predicted (9.32565%) linmin: converged after 6 iterations. - iteration 20: trace = 0.003556460288349742 (17.1736% change) + iteration 20: trace = 0.003556460288217489 (17.1736% change) linmin: converged after 6 iterations. - iteration 21: trace = 0.003124334182308876 (12.9364% change) + iteration 21: trace = 0.003124334182198492 (12.9364% change) linmin: converged after 3 iterations. - iteration 22: trace = 0.003069228500307204 (1.77945% change) + iteration 22: trace = 0.003069228500164921 (1.77945% change) large trace change predicted (3.71325%) linmin: converged after 5 iterations. - iteration 23: trace = 0.002934336283155909 (4.49374% change) + iteration 23: trace = 0.002934336282977529 (4.49374% change) linmin: converged after 6 iterations. - iteration 24: trace = 0.002642331733349835 (10.4724% change) + iteration 24: trace = 0.002642331733109301 (10.4724% change) linmin: converged after 4 iterations. - iteration 25: trace = 0.002571579567560927 (2.71398% change) + iteration 25: trace = 0.002571579567296367 (2.71398% change) linmin: converged after 3 iterations. - iteration 26: trace = 0.002533478245051361 (1.49269% change) + iteration 26: trace = 0.002533478244822608 (1.49269% change) large trace change predicted (7.65005%) linmin: converged after 5 iterations. - iteration 27: trace = 0.002278678035451331 (10.5899% change) + iteration 27: trace = 0.002278678035550776 (10.5899% change) linmin: converged after 6 iterations. - iteration 28: trace = 0.001883039953371402 (19.0132% change) + iteration 28: trace = 0.001883039953470738 (19.0132% change) linmin: converged after 4 iterations. - iteration 29: trace = 0.001791571188527097 (4.97842% change) + iteration 29: trace = 0.001791571188514256 (4.97842% change) linmin: converged after 3 iterations. - iteration 30: trace = 0.001767270133760926 (1.36567% change) + iteration 30: trace = 0.001767270133717624 (1.36567% change) large trace change predicted (3.86857%) linmin: converged after 4 iterations. - iteration 31: trace = 0.00169217116213239 (4.34168% change) + iteration 31: trace = 0.001692171162079923 (4.34168% change) linmin: converged after 5 iterations. - iteration 32: trace = 0.001555831949242743 (8.39526% change) + iteration 32: trace = 0.001555831949295193 (8.39526% change) linmin: converged after 3 iterations. - iteration 33: trace = 0.001511411252227819 (2.89646% change) + iteration 33: trace = 0.001511411252322982 (2.89646% change) linmin: converged after 3 iterations. - iteration 34: trace = 0.001486905418488265 (1.63464% change) + iteration 34: trace = 0.001486905418586345 (1.63464% change) large trace change predicted (5.92327%) linmin: converged after 4 iterations. - iteration 35: trace = 0.001387435430266622 (6.92124% change) + iteration 35: trace = 0.001387435430383476 (6.92124% change) linmin: converged after 5 iterations. - iteration 36: trace = 0.001194026458912932 (14.9845% change) + iteration 36: trace = 0.001194026459233489 (14.9845% change) linmin: converged after 4 iterations. - iteration 37: trace = 0.001122562342795258 (6.16977% change) + iteration 37: trace = 0.001122562343185326 (6.16977% change) linmin: converged after 3 iterations. - iteration 38: trace = 0.001099956477072608 (2.03426% change) + iteration 38: trace = 0.001099956477416706 (2.03426% change) linmin: converged after 3 iterations. - iteration 39: trace = 0.00105918224033337 (3.7769% change) + iteration 39: trace = 0.001059182240507967 (3.7769% change) linmin: converged after 4 iterations. - iteration 40: trace = 0.0009866837678476393 (7.08731% change) + iteration 40: trace = 0.0009866837678978412 (7.08731% change) linmin: converged after 3 iterations. - iteration 41: trace = 0.0009558629207720003 (3.17324% change) + iteration 41: trace = 0.0009558629208429826 (3.17324% change) linmin: converged after 4 iterations. - iteration 42: trace = 0.0009452267883513073 (1.11895% change) + iteration 42: trace = 0.0009452267884322843 (1.11895% change) linmin: converged after 3 iterations. - iteration 43: trace = 0.0009243211031386557 (2.23644% change) + iteration 43: trace = 0.0009243211032308202 (2.23644% change) large trace change predicted (6.26126%) linmin: converged after 4 iterations. - iteration 44: trace = 0.0008615593030195791 (7.02867% change) + iteration 44: trace = 0.0008615593031014585 (7.02867% change) linmin: converged after 3 iterations. - iteration 45: trace = 0.0008134176826142257 (5.74833% change) + iteration 45: trace = 0.0008134176826396069 (5.74833% change) linmin: converged after 4 iterations. - iteration 46: trace = 0.0007986283255294427 (1.83486% change) + iteration 46: trace = 0.0007986283255416237 (1.83486% change) linmin: converged after 4 iterations. - iteration 47: trace = 0.0007852627945361737 (1.68768% change) + iteration 47: trace = 0.0007852627945719087 (1.68768% change) large trace change predicted (4.77797%) linmin: converged after 3 iterations. - iteration 48: trace = 0.0007461125162184888 (5.11309% change) + iteration 48: trace = 0.0007461125163351396 (5.11309% change) linmin: converged after 3 iterations. - iteration 49: trace = 0.0006970945356581758 (6.79292% change) + iteration 49: trace = 0.0006970945357448248 (6.79292% change) linmin: converged after 4 iterations. - iteration 50: trace = 0.000680892618314573 (2.35153% change) + iteration 50: trace = 0.0006808926183553205 (2.35153% change) linmin: converged after 4 iterations. - iteration 51: trace = 0.0006752932687554085 (0.82575% change) + iteration 51: trace = 0.0006752932687859413 (0.82575% change) linmin: converged after 4 iterations. - iteration 52: trace = 0.0006660950936085674 (1.37144% change) + iteration 52: trace = 0.0006660950936463082 (1.37144% change) large trace change predicted (3.11166%) linmin: converged after 3 iterations. - iteration 53: trace = 0.0006448656202478612 (3.23877% change) + iteration 53: trace = 0.0006448656203004086 (3.23877% change) linmin: converged after 4 iterations. - iteration 54: trace = 0.0006304610544060703 (2.25896% change) + iteration 54: trace = 0.0006304610544456774 (2.25896% change) linmin: converged after 4 iterations. - iteration 55: trace = 0.0006258397561453801 (0.735699% change) + iteration 55: trace = 0.0006258397561783084 (0.735699% change) linmin: converged after 4 iterations. - iteration 56: trace = 0.0006213724158296615 (0.716372% change) + iteration 56: trace = 0.0006213724158638193 (0.716372% change) large trace change predicted (2.22111%) linmin: converged after 4 iterations. - iteration 57: trace = 0.0006073554438713578 (2.28154% change) + iteration 57: trace = 0.0006073554439271515 (2.28154% change) linmin: converged after 3 iterations. - iteration 58: trace = 0.0005849991897674963 (3.74993% change) + iteration 58: trace = 0.000584999189852645 (3.74993% change) linmin: converged after 4 iterations. - iteration 59: trace = 0.0005750384420439861 (1.71731% change) + iteration 59: trace = 0.0005750384421320456 (1.71731% change) linmin: converged after 4 iterations. - iteration 60: trace = 0.0005705355312084113 (0.786141% change) + iteration 60: trace = 0.0005705355312929826 (0.786141% change) linmin: converged after 4 iterations. - iteration 61: trace = 0.000562775909447368 (1.36937% change) + iteration 61: trace = 0.0005627759095208225 (1.36937% change) linmin: converged after 4 iterations. - iteration 62: trace = 0.0005488357744973057 (2.50809% change) + iteration 62: trace = 0.0005488357745383402 (2.50809% change) linmin: converged after 4 iterations. - iteration 63: trace = 0.0005415218645897253 (1.34156% change) + iteration 63: trace = 0.0005415218646077653 (1.34156% change) linmin: converged after 4 iterations. - iteration 64: trace = 0.0005394069954582029 (0.391306% change) + iteration 64: trace = 0.0005394069954724528 (0.391306% change) linmin: converged after 4 iterations. - iteration 65: trace = 0.0005374974140522867 (0.354643% change) + iteration 65: trace = 0.0005374974140712973 (0.354643% change) large trace change predicted (1.05234%) linmin: converged after 4 iterations. - iteration 66: trace = 0.0005318034220926464 (1.06499% change) + iteration 66: trace = 0.0005318034221285828 (1.06499% change) linmin: converged after 4 iterations. - iteration 67: trace = 0.0005225513688305628 (1.75502% change) + iteration 67: trace = 0.0005225513688545946 (1.75502% change) linmin: converged after 4 iterations. - iteration 68: trace = 0.0005182232127259536 (0.831718% change) + iteration 68: trace = 0.0005182232127305461 (0.831718% change) linmin: converged after 4 iterations. - iteration 69: trace = 0.0005162072680176623 (0.389769% change) + iteration 69: trace = 0.0005162072680208836 (0.389769% change) resetting CG direction... linmin: converged after 3 iterations. - iteration 70: trace = 0.0005155092907289642 (0.135304% change) + iteration 70: trace = 0.0005155092907333682 (0.135304% change) large trace change predicted (0.688124%) linmin: converged after 3 iterations. - iteration 71: trace = 0.0005119637368328733 (0.69015% change) + iteration 71: trace = 0.0005119637368370328 (0.69015% change) linmin: converged after 2 iterations. - iteration 72: trace = 0.0005116082162739982 (0.0694666% change) + iteration 72: trace = 0.000511608216276014 (0.0694666% change) large trace change predicted (2.65047%) linmin: converged after 3 iterations. - iteration 73: trace = 0.0004980720955543454 (2.68127% change) + iteration 73: trace = 0.0004980720955581589 (2.68127% change) linmin: converged after 2 iterations. - iteration 74: trace = 0.0004962593830382443 (0.364609% change) + iteration 74: trace = 0.0004962593830389853 (0.364609% change) large trace change predicted (4.18178%) linmin: converged after 3 iterations. - iteration 75: trace = 0.0004755685305139867 (4.25813% change) + iteration 75: trace = 0.0004755685305169946 (4.25813% change) linmin: converged after 4 iterations. - iteration 76: trace = 0.0004613074630933708 (3.04439% change) + iteration 76: trace = 0.0004613074630958849 (3.04439% change) linmin: converged after 3 iterations. - iteration 77: trace = 0.0004610867968600356 (0.0478464% change) + iteration 77: trace = 0.0004610867968616982 (0.0478464% change) large trace change predicted (0.213803%) linmin: converged after 3 iterations. - iteration 78: trace = 0.0004601018611141185 (0.21384% change) + iteration 78: trace = 0.0004601018611165299 (0.21384% change) large trace change predicted (1.00026%) linmin: converged after 3 iterations. - iteration 79: trace = 0.000455517535446558 (1.00136% change) + iteration 79: trace = 0.0004555175354524354 (1.00136% change) linmin: converged after 3 iterations. - iteration 80: trace = 0.0004514547054348013 (0.895911% change) + iteration 80: trace = 0.0004514547054383692 (0.895911% change) linmin: converged after 3 iterations. - iteration 81: trace = 0.0004512636246026654 (0.0423345% change) + iteration 81: trace = 0.0004512636246070159 (0.0423345% change) large trace change predicted (0.206391%) linmin: converged after 3 iterations. - iteration 82: trace = 0.0004503349945079216 (0.205996% change) + iteration 82: trace = 0.0004503349945087943 (0.205996% change) linmin: converged after 3 iterations. - iteration 83: trace = 0.0004501374789161126 (0.0438693% change) + iteration 83: trace = 0.0004501374789180884 (0.0438693% change) large trace change predicted (0.562754%) linmin: converged after 3 iterations. - iteration 84: trace = 0.0004476360710489421 (0.557247% change) + iteration 84: trace = 0.0004476360710491528 (0.557247% change) linmin: converged after 3 iterations. - iteration 85: trace = 0.0004475864327809164 (0.0110896% change) + iteration 85: trace = 0.0004475864327812387 (0.0110896% change) large trace change predicted (0.12546%) linmin: converged after 3 iterations. - iteration 86: trace = 0.0004470257239679656 (0.125352% change) + iteration 86: trace = 0.0004470257239678319 (0.125352% change) linmin: converged after 2 iterations. - iteration 87: trace = 0.000446982566757198 (0.00965477% change) + iteration 87: trace = 0.0004469825667574598 (0.00965477% change) large trace change predicted (0.115451%) linmin: converged after 2 iterations. - iteration 88: trace = 0.0004464661248476459 (0.115606% change) + iteration 88: trace = 0.0004464661248477418 (0.115606% change) linmin: converged after 2 iterations. - iteration 89: trace = 0.0004464504551904783 (0.00350977% change) + iteration 89: trace = 0.0004464504551906056 (0.00350977% change) large trace change predicted (0.177837%) linmin: converged after 4 iterations. - iteration 90: trace = 0.000445653874635074 (0.178585% change) + iteration 90: trace = 0.0004456538746356611 (0.178585% change) linmin: converged after 2 iterations. - iteration 91: trace = 0.0004456257171310337 (0.00631844% change) + iteration 91: trace = 0.0004456257171318294 (0.00631844% change) large trace change predicted (0.074741%) linmin: converged after 4 iterations. - iteration 92: trace = 0.0004452924589946991 (0.0748123% change) + iteration 92: trace = 0.0004452924589956872 (0.0748123% change) linmin: converged after 2 iterations. - iteration 93: trace = 0.0004452687856051591 (0.00531651% change) + iteration 93: trace = 0.0004452687856061341 (0.00531651% change) large trace change predicted (0.113007%) linmin: converged after 3 iterations. - iteration 94: trace = 0.0004447657260541854 (0.113043% change) + iteration 94: trace = 0.0004447657260542244 (0.113043% change) linmin: converged after 2 iterations. - iteration 95: trace = 0.0004447267673626513 (0.00875976% change) + iteration 95: trace = 0.0004447267673611256 (0.00875976% change) large trace change predicted (0.105917%) linmin: converged after 2 iterations. - iteration 96: trace = 0.0004442556986459031 (0.105979% change) + iteration 96: trace = 0.0004442556986457235 (0.105979% change) linmin: converged after 2 iterations. - iteration 97: trace = 0.0004442455806050875 (0.00227755% change) + iteration 97: trace = 0.0004442455806051777 (0.00227755% change) large trace change predicted (0.0817138%) linmin: converged after 3 iterations. - iteration 98: trace = 0.0004438810888302759 (0.082081% change) + iteration 98: trace = 0.0004438810888303385 (0.082081% change) linmin: converged after 2 iterations. - iteration 99: trace = 0.0004438500905870567 (0.0069837% change) + iteration 99: trace = 0.0004438500905857432 (0.0069837% change) large trace change predicted (0.0240443%) linmin: converged after 2 iterations. - iteration 100: trace = 0.000443743225500739 (0.0240797% change) + iteration 100: trace = 0.0004437432255006679 (0.0240797% change) linmin: converged after 2 iterations. - iteration 101: trace = 0.0004437391651983485 (0.000915016% change) + iteration 101: trace = 0.0004437391651983482 (0.000915016% change) large trace change predicted (0.0185711%) linmin: converged after 2 iterations. - iteration 102: trace = 0.0004436567046655403 (0.0185848% change) + iteration 102: trace = 0.000443656704665559 (0.0185848% change) linmin: converged after 2 iterations. - iteration 103: trace = 0.0004436180975635375 (0.0087024% change) + iteration 103: trace = 0.0004436180975620899 (0.0087024% change) linmin: converged after 2 iterations. - iteration 104: trace = 0.000443596595424942 (0.00484711% change) + iteration 104: trace = 0.000443596595424909 (0.00484711% change) linmin: converged after 2 iterations. - iteration 105: trace = 0.0004435901010888418 (0.00146403% change) + iteration 105: trace = 0.0004435901010882656 (0.00146403% change) large trace change predicted (0.0143213%) linmin: converged after 3 iterations. - iteration 106: trace = 0.000443526612158538 (0.0143135% change) + iteration 106: trace = 0.0004435266121585284 (0.0143135% change) linmin: converged after 3 iterations. - iteration 107: trace = 0.0004434983515584871 (0.006372% change) + iteration 107: trace = 0.0004434983515570951 (0.006372% change) linmin: converged after 3 iterations. - iteration 108: trace = 0.00044347610051672 (0.00501729% change) + iteration 108: trace = 0.0004434761005167245 (0.00501729% change) linmin: converged after 2 iterations. - iteration 109: trace = 0.0004434714731017632 (0.00104345% change) + iteration 109: trace = 0.0004434714731012338 (0.00104345% change) large trace change predicted (0.00742987%) linmin: converged after 2 iterations. - iteration 110: trace = 0.0004434385151230384 (0.00743209% change) + iteration 110: trace = 0.0004434385151230344 (0.00743209% change) linmin: converged after 2 iterations. - iteration 111: trace = 0.0004434252055768146 (0.00300149% change) + iteration 111: trace = 0.0004434252055763201 (0.00300149% change) linmin: converged after 2 iterations. - iteration 112: trace = 0.0004434206868132168 (0.00101906% change) + iteration 112: trace = 0.0004434206868132256 (0.00101906% change) linmin: converged after 2 iterations. - iteration 113: trace = 0.0004434136924359412 (0.00157738% change) + iteration 113: trace = 0.0004434136924350159 (0.00157738% change) linmin: converged after 2 iterations. - iteration 114: trace = 0.0004434078981872004 (0.00130675% change) + iteration 114: trace = 0.0004434078981872072 (0.00130674% change) linmin: converged after 2 iterations. - iteration 115: trace = 0.0004434060803082016 (0.00040998% change) + iteration 115: trace = 0.0004434060803079899 (0.00040998% change) linmin: converged after 2 iterations. - iteration 116: trace = 0.0004434035864054641 (0.000562444% change) + iteration 116: trace = 0.0004434035864054671 (0.000562444% change) linmin: converged after 2 iterations. - iteration 117: trace = 0.0004433997721779338 (0.000860219% change) + iteration 117: trace = 0.0004433997721778282 (0.000860219% change) linmin: converged after 2 iterations. - iteration 118: trace = 0.0004433993922834479 (8.56777e-05% change) + iteration 118: trace = 0.0004433993922834515 (8.56777e-05% change) large trace change predicted (0.000765319%) linmin: converged after 2 iterations. - iteration 119: trace = 0.0004433959989794154 (0.000765296% change) + iteration 119: trace = 0.0004433959989790834 (0.000765296% change) linmin: converged after 2 iterations. - iteration 120: trace = 0.0004433937107530648 (0.00051607% change) + iteration 120: trace = 0.0004433937107530678 (0.00051607% change) linmin: converged after 2 iterations. - iteration 121: trace = 0.0004433925552247438 (0.00026061% change) + iteration 121: trace = 0.0004433925552247387 (0.00026061% change) linmin: converged after 2 iterations. - iteration 122: trace = 0.0004433924380077825 (2.64364e-05% change) + iteration 122: trace = 0.0004433924380077601 (2.64364e-05% change) large trace change predicted (0.000654702%) linmin: converged after 2 iterations. - iteration 123: trace = 0.0004433895351568387 (0.000654693% change) + iteration 123: trace = 0.0004433895351566106 (0.000654693% change) linmin: converged after 2 iterations. - iteration 124: trace = 0.0004433889271465965 (0.000137128% change) + iteration 124: trace = 0.0004433889271465956 (0.000137128% change) linmin: converged after 2 iterations. - iteration 125: trace = 0.0004433880632293187 (0.000194844% change) + iteration 125: trace = 0.0004433880632293131 (0.000194844% change) linmin: converged after 2 iterations. - iteration 126: trace = 0.000443388031228047 (7.21744e-06% change) + iteration 126: trace = 0.0004433880312280502 (7.21744e-06% change) large trace change predicted (9.11993e-05%) linmin: converged after 2 iterations. - iteration 127: trace = 0.0004433876268651143 (9.11985e-05% change) + iteration 127: trace = 0.0004433876268650312 (9.11985e-05% change) linmin: converged after 2 iterations. - iteration 128: trace = 0.0004433874490725925 (4.00987e-05% change) + iteration 128: trace = 0.0004433874490725963 (4.00987e-05% change) linmin: converged after 2 iterations. - iteration 129: trace = 0.0004433873033573263 (3.28641e-05% change) + iteration 129: trace = 0.0004433873033573288 (3.28641e-05% change) linmin: converged after 2 iterations. - iteration 130: trace = 0.0004433872992476704 (9.26877e-07% change) + iteration 130: trace = 0.0004433872992476687 (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: 1.8730266094207764 -total elapsed time for run: 1.8955237865447998 +elapsed time for k point: 4.365717172622681 +total elapsed time for run: 4.4432079792022705 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -68853,7 +65043,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.023560285568237305 +elapsed time for initialization: 0.0576024055480957 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -68863,333 +65053,333 @@ linmin: converged after 7 iterations. iteration 2: trace = 0.01327582341516153 (5.0468% change) linmin: converged after 5 iterations. - iteration 3: trace = 0.01313921802708362 (1.0343% change) + iteration 3: trace = 0.01313921802708361 (1.0343% change) near maximum in trace linmin: converged after 6 iterations. - iteration 4: trace = 0.01142281205553351 (13.9761% change) + iteration 4: trace = 0.01142281205553266 (13.9761% change) linmin: converged after 8 iterations. - iteration 5: trace = 0.01058525607493297 (7.61135% change) + iteration 5: trace = 0.01058525607493082 (7.61135% change) linmin: converged after 6 iterations. - iteration 6: trace = 0.0101589837044347 (4.10979% change) + iteration 6: trace = 0.01015898370443547 (4.10979% change) linmin: converged after 6 iterations. - iteration 7: trace = 0.009918237309329864 (2.3982% change) + iteration 7: trace = 0.009918237309330053 (2.3982% change) linmin: converged after 8 iterations. - iteration 8: trace = 0.00892797107728269 (10.5089% change) + iteration 8: trace = 0.008927971077283768 (10.5089% change) linmin: converged after 6 iterations. - iteration 9: trace = 0.008614717280223476 (3.57133% change) + iteration 9: trace = 0.008614717280225186 (3.57133% change) linmin: converged after 4 iterations. - iteration 10: trace = 0.008466233313485243 (1.73859% change) + iteration 10: trace = 0.008466233313486501 (1.73859% change) large trace change predicted (5.78164%) linmin: converged after 8 iterations. - iteration 11: trace = 0.007282511329325394 (15.0326% change) + iteration 11: trace = 0.007282511329332547 (15.0326% change) linmin: converged after 5 iterations. - iteration 12: trace = 0.007044999189471032 (3.31547% change) + iteration 12: trace = 0.007044999189450767 (3.31547% change) linmin: converged after 5 iterations. - iteration 13: trace = 0.006874592947715286 (2.44844% change) + iteration 13: trace = 0.006874592947690497 (2.44844% change) linmin: converged after 8 iterations. - iteration 14: trace = 0.006133148163368856 (11.4001% change) + iteration 14: trace = 0.006133148163447735 (11.4001% change) linmin: converged after 5 iterations. - iteration 15: trace = 0.005961549769357523 (2.83758% change) + iteration 15: trace = 0.005961549769472903 (2.83758% change) linmin: converged after 5 iterations. - iteration 16: trace = 0.005645565245526819 (5.44467% change) + iteration 16: trace = 0.005645565245604592 (5.44467% change) linmin: converged after 5 iterations. - iteration 17: trace = 0.004830936611883179 (15.5515% change) + iteration 17: trace = 0.004830936611878811 (15.5515% change) linmin: converged after 4 iterations. - iteration 18: trace = 0.004686994044926179 (3.02466% change) + iteration 18: trace = 0.004686994044893297 (3.02466% change) linmin: converged after 3 iterations. - iteration 19: trace = 0.004633898350181182 (1.13928% change) + iteration 19: trace = 0.004633898350157841 (1.13928% change) large trace change predicted (8.32154%) linmin: converged after 6 iterations. - iteration 20: trace = 0.003985702634698927 (15.04% change) + iteration 20: trace = 0.003985702634746582 (15.04% change) linmin: converged after 6 iterations. - iteration 21: trace = 0.003535474708241069 (11.9723% change) + iteration 21: trace = 0.003535474708253777 (11.9723% change) linmin: converged after 3 iterations. - iteration 22: trace = 0.003476369469699929 (1.68587% change) + iteration 22: trace = 0.003476369469704832 (1.68587% change) linmin: converged after 5 iterations. - iteration 23: trace = 0.00333818592248314 (4.05554% change) + iteration 23: trace = 0.003338185922505572 (4.05554% change) linmin: converged after 6 iterations. - iteration 24: trace = 0.003040239886137003 (9.34231% change) + iteration 24: trace = 0.003040239886136103 (9.34231% change) linmin: converged after 4 iterations. - iteration 25: trace = 0.002968314177935729 (2.39411% change) + iteration 25: trace = 0.002968314177918705 (2.39411% change) linmin: converged after 3 iterations. - iteration 26: trace = 0.002929179324696153 (1.32717% change) + iteration 26: trace = 0.002929179324685609 (1.32717% change) large trace change predicted (6.73473%) linmin: converged after 5 iterations. - iteration 27: trace = 0.002665163221220175 (9.43868% change) + iteration 27: trace = 0.002665163221273504 (9.43868% change) linmin: converged after 6 iterations. - iteration 28: trace = 0.002263716107325872 (16.2896% change) + iteration 28: trace = 0.002263716107366163 (16.2896% change) linmin: converged after 4 iterations. - iteration 29: trace = 0.00216893450910269 (4.27652% change) + iteration 29: trace = 0.002168934509122882 (4.27652% change) linmin: converged after 3 iterations. - iteration 30: trace = 0.002140776398946851 (1.30673% change) + iteration 30: trace = 0.002140776398965061 (1.30673% change) large trace change predicted (3.62381%) linmin: converged after 4 iterations. - iteration 31: trace = 0.002054832936078479 (4.09683% change) + iteration 31: trace = 0.002054832936099284 (4.09683% change) linmin: converged after 4 iterations. - iteration 32: trace = 0.001928675147038835 (6.334% change) + iteration 32: trace = 0.001928675147047012 (6.334% change) linmin: converged after 3 iterations. - iteration 33: trace = 0.001891060683027584 (1.96948% change) + iteration 33: trace = 0.001891060683030569 (1.96948% change) linmin: converged after 3 iterations. - iteration 34: trace = 0.001863419993304216 (1.47241% change) + iteration 34: trace = 0.001863419993311022 (1.47241% change) large trace change predicted (5.5606%) linmin: converged after 5 iterations. - iteration 35: trace = 0.001742904242518234 (6.68358% change) + iteration 35: trace = 0.001742904242548188 (6.68358% change) linmin: converged after 5 iterations. - iteration 36: trace = 0.001553603641478992 (11.4849% change) + iteration 36: trace = 0.001553603641508177 (11.4849% change) linmin: converged after 4 iterations. - iteration 37: trace = 0.001490518358322988 (4.14473% change) + iteration 37: trace = 0.001490518358344507 (4.14473% change) linmin: converged after 3 iterations. - iteration 38: trace = 0.001465056863302722 (1.72295% change) + iteration 38: trace = 0.001465056863323182 (1.72295% change) large trace change predicted (3.54511%) linmin: converged after 4 iterations. - iteration 39: trace = 0.001409511515969067 (3.8646% change) + iteration 39: trace = 0.001409511515989721 (3.8646% change) linmin: converged after 4 iterations. - iteration 40: trace = 0.001324643606815046 (6.20798% change) + iteration 40: trace = 0.001324643606828225 (6.20798% change) linmin: converged after 3 iterations. - iteration 41: trace = 0.001293109867277146 (2.40922% change) + iteration 41: trace = 0.001293109867285795 (2.40922% change) linmin: converged after 4 iterations. - iteration 42: trace = 0.001281892836851446 (0.871225% change) + iteration 42: trace = 0.001281892836859725 (0.871225% change) linmin: converged after 3 iterations. - iteration 43: trace = 0.001258915302635903 (1.80868% change) + iteration 43: trace = 0.001258915302646228 (1.80868% change) large trace change predicted (4.91517%) linmin: converged after 4 iterations. - iteration 44: trace = 0.001191045275692942 (5.5405% change) + iteration 44: trace = 0.001191045275704825 (5.5405% change) linmin: converged after 4 iterations. - iteration 45: trace = 0.001138499727044202 (4.51123% change) + iteration 45: trace = 0.001138499727051532 (4.51123% change) linmin: converged after 3 iterations. - iteration 46: trace = 0.001122170058270399 (1.44468% change) + iteration 46: trace = 0.00112217005827625 (1.44468% change) linmin: converged after 4 iterations. - iteration 47: trace = 0.001108595699023488 (1.21701% change) + iteration 47: trace = 0.00110859569902975 (1.21701% change) large trace change predicted (3.33729%) linmin: converged after 3 iterations. - iteration 48: trace = 0.00106990137210023 (3.55239% change) + iteration 48: trace = 0.001069901372108893 (3.55239% change) linmin: converged after 3 iterations. - iteration 49: trace = 0.001014621259077012 (5.30386% change) + iteration 49: trace = 0.001014621259085611 (5.30386% change) linmin: converged after 3 iterations. - iteration 50: trace = 0.0009931819911279671 (2.13559% change) + iteration 50: trace = 0.0009931819911355253 (2.13559% change) linmin: converged after 4 iterations. - iteration 51: trace = 0.0009855932451830235 (0.767014% change) + iteration 51: trace = 0.0009855932451903935 (0.767014% change) linmin: converged after 4 iterations. - iteration 52: trace = 0.000974719876304833 (1.10935% change) + iteration 52: trace = 0.0009747198763121587 (1.10935% change) large trace change predicted (2.27865%) linmin: converged after 3 iterations. - iteration 53: trace = 0.0009518762290181694 (2.3714% change) + iteration 53: trace = 0.0009518762290240061 (2.3714% change) linmin: converged after 3 iterations. - iteration 54: trace = 0.0009362068768610649 (1.65982% change) + iteration 54: trace = 0.0009362068768647573 (1.65982% change) linmin: converged after 4 iterations. - iteration 55: trace = 0.0009309620733688387 (0.561792% change) + iteration 55: trace = 0.000930962073371916 (0.561792% change) linmin: converged after 4 iterations. - iteration 56: trace = 0.0009261399277447124 (0.519319% change) + iteration 56: trace = 0.0009261399277477792 (0.519319% change) large trace change predicted (1.55474%) linmin: converged after 4 iterations. - iteration 57: trace = 0.0009114740520546793 (1.59619% change) + iteration 57: trace = 0.0009114740520585527 (1.59619% change) linmin: converged after 3 iterations. - iteration 58: trace = 0.0008851577234215649 (2.92952% change) + iteration 58: trace = 0.0008851577234266234 (2.92952% change) linmin: converged after 4 iterations. - iteration 59: trace = 0.000871693071461078 (1.53282% change) + iteration 59: trace = 0.000871693071466451 (1.53282% change) linmin: converged after 4 iterations. - iteration 60: trace = 0.0008661342145254756 (0.639748% change) + iteration 60: trace = 0.0008661342145308695 (0.639748% change) linmin: converged after 4 iterations. - iteration 61: trace = 0.0008582710079949929 (0.911991% change) + iteration 61: trace = 0.0008582710080001816 (0.911991% change) linmin: converged after 3 iterations. - iteration 62: trace = 0.00084222830201513 (1.88682% change) + iteration 62: trace = 0.0008422283020192667 (1.88682% change) linmin: converged after 4 iterations. - iteration 63: trace = 0.0008310961553877375 (1.33054% change) + iteration 63: trace = 0.0008310961553908193 (1.33054% change) linmin: converged after 4 iterations. - iteration 64: trace = 0.0008278256094743229 (0.394298% change) + iteration 64: trace = 0.0008278256094771208 (0.394298% change) linmin: converged after 4 iterations. - iteration 65: trace = 0.0008259581513410663 (0.225841% change) + iteration 65: trace = 0.0008259581513437934 (0.225841% change) large trace change predicted (0.54409%) linmin: converged after 4 iterations. - iteration 66: trace = 0.0008214375661512261 (0.548816% change) + iteration 66: trace = 0.0008214375661539716 (0.548816% change) large trace change predicted (1.31796%) linmin: converged after 4 iterations. - iteration 67: trace = 0.0008104570891759209 (1.34573% change) + iteration 67: trace = 0.0008104570891788135 (1.34573% change) linmin: converged after 4 iterations. - iteration 68: trace = 0.0008022185029139933 (1.02173% change) + iteration 68: trace = 0.0008022185029169372 (1.02173% change) linmin: converged after 4 iterations. - iteration 69: trace = 0.0007990641591545313 (0.393977% change) + iteration 69: trace = 0.0007990641591574285 (0.393977% change) resetting CG direction... linmin: converged after 3 iterations. - iteration 70: trace = 0.000798267427250896 (0.0997579% change) + iteration 70: trace = 0.0007982674272537656 (0.0997579% change) large trace change predicted (0.511106%) linmin: converged after 3 iterations. - iteration 71: trace = 0.0007941909653984683 (0.511971% change) + iteration 71: trace = 0.000794190965401303 (0.511971% change) linmin: converged after 3 iterations. - iteration 72: trace = 0.0007934194265270598 (0.097195% change) + iteration 72: trace = 0.0007934194265299957 (0.097195% change) large trace change predicted (2.05123%) linmin: converged after 3 iterations. - iteration 73: trace = 0.0007771906069316093 (2.06656% change) + iteration 73: trace = 0.0007771906069306927 (2.06656% change) linmin: converged after 3 iterations. - iteration 74: trace = 0.0007749505868597712 (0.288636% change) + iteration 74: trace = 0.0007749505868584082 (0.288636% change) large trace change predicted (3.32417%) linmin: converged after 3 iterations. - iteration 75: trace = 0.0007492994743128429 (3.36574% change) + iteration 75: trace = 0.0007492994743112499 (3.36574% change) linmin: converged after 4 iterations. - iteration 76: trace = 0.0007303048045879829 (2.56753% change) + iteration 76: trace = 0.0007303048045869264 (2.56753% change) linmin: converged after 2 iterations. - iteration 77: trace = 0.0007296260899938505 (0.092979% change) + iteration 77: trace = 0.0007296260899939187 (0.092979% change) linmin: converged after 3 iterations. - iteration 78: trace = 0.0007286441023556302 (0.134678% change) + iteration 78: trace = 0.000728644102354961 (0.134678% change) large trace change predicted (0.558198%) linmin: converged after 3 iterations. - iteration 79: trace = 0.0007245873406325023 (0.558309% change) + iteration 79: trace = 0.0007245873406317841 (0.558309% change) linmin: converged after 3 iterations. - iteration 80: trace = 0.0007180771875012872 (0.902518% change) + iteration 80: trace = 0.000718077187500906 (0.902518% change) linmin: converged after 3 iterations. - iteration 81: trace = 0.0007177753846878525 (0.0420381% change) + iteration 81: trace = 0.0007177753846879655 (0.0420381% change) large trace change predicted (0.226857%) linmin: converged after 3 iterations. - iteration 82: trace = 0.0007161515296069531 (0.226491% change) + iteration 82: trace = 0.0007161515296068739 (0.226491% change) linmin: converged after 3 iterations. - iteration 83: trace = 0.0007160330404420501 (0.0165466% change) + iteration 83: trace = 0.0007160330404422598 (0.0165466% change) large trace change predicted (0.465216%) linmin: converged after 3 iterations. - iteration 84: trace = 0.0007127367071705165 (0.461423% change) + iteration 84: trace = 0.0007127367071703376 (0.461423% change) linmin: converged after 3 iterations. - iteration 85: trace = 0.0007126620769586315 (0.0104715% change) + iteration 85: trace = 0.000712662076958642 (0.0104715% change) large trace change predicted (0.165499%) linmin: converged after 3 iterations. - iteration 86: trace = 0.0007114852716353512 (0.165265% change) + iteration 86: trace = 0.0007114852716358145 (0.165265% change) linmin: converged after 2 iterations. - iteration 87: trace = 0.0007114282832188135 (0.0080101% change) + iteration 87: trace = 0.0007114282832196567 (0.0080101% change) large trace change predicted (0.095004%) linmin: converged after 2 iterations. - iteration 88: trace = 0.0007107523356494787 (0.0950579% change) + iteration 88: trace = 0.000710752335649579 (0.0950579% change) linmin: converged after 2 iterations. - iteration 89: trace = 0.0007107286747959787 (0.00332904% change) + iteration 89: trace = 0.0007107286747960747 (0.00332904% change) large trace change predicted (0.213089%) linmin: converged after 4 iterations. - iteration 90: trace = 0.0007092078344343416 (0.214212% change) + iteration 90: trace = 0.0007092078344343849 (0.214212% change) linmin: converged after 2 iterations. - iteration 91: trace = 0.0007089701515770342 (0.0335195% change) + iteration 91: trace = 0.0007089701515805088 (0.0335195% change) linmin: converged after 4 iterations. - iteration 92: trace = 0.0007085829024920111 (0.0546363% change) + iteration 92: trace = 0.0007085829024921158 (0.0546363% change) linmin: converged after 2 iterations. - iteration 93: trace = 0.0007085381993791572 (0.006309% change) + iteration 93: trace = 0.0007085381993797611 (0.006309% change) large trace change predicted (0.0927125%) linmin: converged after 4 iterations. - iteration 94: trace = 0.0007078806538428434 (0.0928462% change) + iteration 94: trace = 0.0007078806538428688 (0.0928462% change) linmin: converged after 4 iterations. - iteration 95: trace = 0.0007072074075475011 (0.0951526% change) + iteration 95: trace = 0.0007072074075466887 (0.0951526% change) linmin: converged after 4 iterations. - iteration 96: trace = 0.0007068181437308895 (0.0550575% change) + iteration 96: trace = 0.0007068181437309847 (0.0550575% change) linmin: converged after 2 iterations. - iteration 97: trace = 0.0007067093274571758 (0.0153964% change) + iteration 97: trace = 0.0007067093274637296 (0.0153964% change) large trace change predicted (0.0560665%) linmin: converged after 4 iterations. - iteration 98: trace = 0.0007063118363022213 (0.0562612% change) + iteration 98: trace = 0.0007063118363022342 (0.0562612% change) linmin: converged after 2 iterations. - iteration 99: trace = 0.0007061403184934812 (0.0242865% change) + iteration 99: trace = 0.000706140318493618 (0.0242865% change) linmin: converged after 2 iterations. - iteration 100: trace = 0.0007060950996107473 (0.00640387% change) + iteration 100: trace = 0.000706095099610728 (0.00640387% change) large trace change predicted (0.0267454%) linmin: converged after 2 iterations. - iteration 101: trace = 0.0007059060330952891 (0.0267799% change) + iteration 101: trace = 0.0007059060330946713 (0.0267799% change) linmin: converged after 2 iterations. - iteration 102: trace = 0.0007058881454630703 (0.00253403% change) + iteration 102: trace = 0.0007058881454630741 (0.00253403% change) large trace change predicted (0.0136289%) linmin: converged after 3 iterations. - iteration 103: trace = 0.000705791958119235 (0.0136274% change) + iteration 103: trace = 0.0007057919581192479 (0.0136274% change) linmin: converged after 3 iterations. - iteration 104: trace = 0.0007057842514746187 (0.00109192% change) + iteration 104: trace = 0.0007057842514747325 (0.00109192% change) large trace change predicted (0.0186307%) linmin: converged after 3 iterations. - iteration 105: trace = 0.0007056529475522983 (0.0186057% change) + iteration 105: trace = 0.0007056529475522372 (0.0186057% change) linmin: converged after 2 iterations. - iteration 106: trace = 0.0007056483369617469 (0.000653381% change) + iteration 106: trace = 0.000705648336961321 (0.000653382% change) large trace change predicted (0.0148068%) linmin: converged after 3 iterations. - iteration 107: trace = 0.0007055439182104608 (0.0147987% change) + iteration 107: trace = 0.0007055439182104818 (0.0147987% change) linmin: converged after 2 iterations. - iteration 108: trace = 0.0007055329035967619 (0.00156116% change) + iteration 108: trace = 0.0007055329035974612 (0.00156116% change) large trace change predicted (0.0110758%) linmin: converged after 2 iterations. - iteration 109: trace = 0.0007054546515591708 (0.0110918% change) + iteration 109: trace = 0.0007054546515591156 (0.0110918% change) linmin: converged after 2 iterations. - iteration 110: trace = 0.000705450274352933 (0.000620482% change) + iteration 110: trace = 0.0007054502743522219 (0.000620482% change) large trace change predicted (0.00195447%) linmin: converged after 2 iterations. - iteration 111: trace = 0.0007054364838128093 (0.00195488% change) + iteration 111: trace = 0.0007054364838128185 (0.00195488% change) linmin: converged after 3 iterations. - iteration 112: trace = 0.0007054238644720394 (0.00178889% change) + iteration 112: trace = 0.0007054238644731049 (0.00178889% change) linmin: converged after 3 iterations. - iteration 113: trace = 0.0007054118291849954 (0.00170612% change) + iteration 113: trace = 0.0007054118291849887 (0.00170612% change) linmin: converged after 2 iterations. - iteration 114: trace = 0.0007054065895967991 (0.000742773% change) + iteration 114: trace = 0.0007054065895959976 (0.000742773% change) linmin: converged after 2 iterations. - iteration 115: trace = 0.000705402295244772 (0.000608779% change) + iteration 115: trace = 0.0007054022952447704 (0.000608779% change) large trace change predicted (0.00136007%) linmin: converged after 2 iterations. - iteration 116: trace = 0.0007053927001434934 (0.00136024% change) + iteration 116: trace = 0.0007053927001434995 (0.00136024% change) linmin: converged after 2 iterations. - iteration 117: trace = 0.0007053920786220416 (8.811e-05% change) + iteration 117: trace = 0.0007053920786220366 (8.811e-05% change) large trace change predicted (0.00165021%) linmin: converged after 2 iterations. - iteration 118: trace = 0.0007053804353968566 (0.00165062% change) + iteration 118: trace = 0.000705380435396726 (0.00165062% change) linmin: converged after 2 iterations. - iteration 119: trace = 0.0007053797879385811 (9.17886e-05% change) + iteration 119: trace = 0.0007053797879385828 (9.17885e-05% change) large trace change predicted (0.000677675%) linmin: converged after 3 iterations. - iteration 120: trace = 0.0007053750082369959 (0.000677609% change) + iteration 120: trace = 0.0007053750082369695 (0.000677609% change) linmin: converged after 2 iterations. - iteration 121: trace = 0.000705374208098857 (0.000113434% change) + iteration 121: trace = 0.0007053742080981112 (0.000113435% change) large trace change predicted (0.000715979%) linmin: converged after 3 iterations. - iteration 122: trace = 0.0007053691586075307 (0.000715862% change) + iteration 122: trace = 0.0007053691586075282 (0.000715862% change) linmin: converged after 2 iterations. - iteration 123: trace = 0.0007053690877136454 (1.00506e-05% change) + iteration 123: trace = 0.0007053690877136415 (1.00506e-05% change) large trace change predicted (0.000338665%) linmin: converged after 2 iterations. - iteration 124: trace = 0.0007053666990218499 (0.000338645% change) + iteration 124: trace = 0.0007053666990218474 (0.000338645% change) linmin: converged after 2 iterations. - iteration 125: trace = 0.0007053665919396272 (1.51811e-05% change) + iteration 125: trace = 0.0007053665919394984 (1.51811e-05% change) large trace change predicted (0.000210995%) linmin: converged after 2 iterations. - iteration 126: trace = 0.0007053651035997163 (0.000211003% change) + iteration 126: trace = 0.000705365103599717 (0.000211003% change) linmin: converged after 2 iterations. - iteration 127: trace = 0.0007053650603494894 (6.13161e-06% change) + iteration 127: trace = 0.000705365060349489 (6.13161e-06% change) large trace change predicted (3.74998e-05%) linmin: converged after 2 iterations. - iteration 128: trace = 0.0007053647958367643 (3.75001e-05% change) + iteration 128: trace = 0.0007053647958367642 (3.75001e-05% change) linmin: converged after 2 iterations. - iteration 129: trace = 0.0007053645526031884 (3.44834e-05% change) + iteration 129: trace = 0.0007053645526031727 (3.44834e-05% change) linmin: converged after 2 iterations. - iteration 130: trace = 0.0007053644026624995 (2.12572e-05% change) + iteration 130: trace = 0.0007053644026624981 (2.12572e-05% change) linmin: converged after 2 iterations. - iteration 131: trace = 0.0007053642119763969 (2.70337e-05% change) + iteration 131: trace = 0.0007053642119763955 (2.70337e-05% change) linmin: converged after 2 iterations. - iteration 132: trace = 0.0007053641295694905 (1.16829e-05% change) + iteration 132: trace = 0.0007053641295694901 (1.16829e-05% change) large trace change predicted (3.47577e-05%) linmin: converged after 2 iterations. - iteration 133: trace = 0.0007053638844030214 (3.47574e-05% change) + iteration 133: trace = 0.0007053638844030073 (3.47574e-05% change) linmin: converged after 2 iterations. - iteration 134: trace = 0.000705363876868119 (1.06823e-06% change) + iteration 134: trace = 0.0007053638768681161 (1.06823e-06% change) large trace change predicted (6.4584e-05%) linmin: converged after 2 iterations. - iteration 135: trace = 0.0007053634213077374 (6.45852e-05% change) + iteration 135: trace = 0.0007053634213077343 (6.45852e-05% change) linmin: converged after 2 iterations. - iteration 136: trace = 0.0007053633820806043 (5.56127e-06% change) + iteration 136: trace = 0.0007053633820806049 (5.56127e-06% change) large trace change predicted (2.17913e-05%) linmin: converged after 2 iterations. - iteration 137: trace = 0.0007053632283731598 (2.17912e-05% change) + iteration 137: trace = 0.0007053632283731594 (2.17912e-05% change) linmin: converged after 2 iterations. iteration 138: trace = 0.000705363220373406 (1.13413e-06% change) large trace change predicted (1.65302e-05%) linmin: converged after 2 iterations. - iteration 139: trace = 0.0007053631037760407 (1.65301e-05% change) + iteration 139: trace = 0.0007053631037760427 (1.65301e-05% change) resetting CG direction... linmin: converged after 2 iterations. - iteration 140: trace = 0.0007053630961879911 (1.07577e-06% change) + iteration 140: trace = 0.0007053630961879917 (1.07577e-06% change) large trace change predicted (8.44799e-06%) linmin: converged after 2 iterations. - iteration 141: trace = 0.000705363036599132 (8.44797e-06% change) + iteration 141: trace = 0.0007053630365991339 (8.44797e-06% change) linmin: converged after 2 iterations. - iteration 142: trace = 0.0007053630328314592 (5.34147e-07% change) + iteration 142: trace = 0.000705363032831463 (5.34146e-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: 2.0084526538848877 -total elapsed time for run: 2.0321455001831055 +elapsed time for k point: 5.317932605743408 +total elapsed time for run: 5.375673294067383 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -69269,7 +65459,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.02211618423461914 +elapsed time for initialization: 0.06130266189575195 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -69277,325 +65467,325 @@ linmin: converged after 7 iterations. iteration 1: trace = 0.01396271668064178 (199.998% change) linmin: converged after 7 iterations. - iteration 2: trace = 0.01327684595598253 (5.03584% change) + iteration 2: trace = 0.01327684595598249 (5.03584% change) linmin: converged after 5 iterations. - iteration 3: trace = 0.01313324005126112 (1.08751% change) + iteration 3: trace = 0.01313324005125724 (1.08751% change) near maximum in trace linmin: converged after 6 iterations. - iteration 4: trace = 0.01143110159363475 (13.8586% change) + iteration 4: trace = 0.01143110159436247 (13.8586% change) linmin: converged after 8 iterations. - iteration 5: trace = 0.01057166476712294 (7.81208% change) + iteration 5: trace = 0.01057166476739567 (7.81208% change) linmin: converged after 6 iterations. - iteration 6: trace = 0.01011480006992648 (4.41704% change) + iteration 6: trace = 0.01011480006982954 (4.41704% change) linmin: converged after 6 iterations. - iteration 7: trace = 0.009876896507187892 (2.38002% change) + iteration 7: trace = 0.009876896506772561 (2.38002% change) linmin: converged after 8 iterations. - iteration 8: trace = 0.008845869822923064 (11.0136% change) + iteration 8: trace = 0.008845869821944279 (11.0136% change) linmin: converged after 6 iterations. - iteration 9: trace = 0.008516806987200545 (3.79046% change) + iteration 9: trace = 0.008516806986723392 (3.79046% change) linmin: converged after 5 iterations. - iteration 10: trace = 0.008325902737333319 (2.26691% change) + iteration 10: trace = 0.008325902736362793 (2.26691% change) large trace change predicted (6.10025%) linmin: converged after 8 iterations. - iteration 11: trace = 0.007074435670628136 (16.2525% change) + iteration 11: trace = 0.007074435668898778 (16.2525% change) linmin: converged after 5 iterations. - iteration 12: trace = 0.006841983820928351 (3.34068% change) + iteration 12: trace = 0.006841983819601372 (3.34068% change) linmin: converged after 5 iterations. - iteration 13: trace = 0.006643948104078183 (2.93692% change) + iteration 13: trace = 0.006643948102592079 (2.93692% change) linmin: converged after 8 iterations. - iteration 14: trace = 0.005865142910627932 (12.4518% change) + iteration 14: trace = 0.00586514291060854 (12.4518% change) linmin: converged after 5 iterations. - iteration 15: trace = 0.005690265827323177 (3.02676% change) + iteration 15: trace = 0.005690265827790274 (3.02676% change) linmin: converged after 5 iterations. - iteration 16: trace = 0.005358817859046534 (5.99956% change) + iteration 16: trace = 0.005358817859069506 (5.99956% change) linmin: converged after 6 iterations. - iteration 17: trace = 0.004559992561182125 (16.1073% change) + iteration 17: trace = 0.004559992560398251 (16.1073% change) linmin: converged after 4 iterations. - iteration 18: trace = 0.004422633267909758 (3.05833% change) + iteration 18: trace = 0.004422633266784209 (3.05833% change) linmin: converged after 3 iterations. - iteration 19: trace = 0.004367501598838224 (1.2544% change) + iteration 19: trace = 0.004367501597863202 (1.2544% change) large trace change predicted (8.81855%) linmin: converged after 6 iterations. - iteration 20: trace = 0.003725260303643653 (15.872% change) + iteration 20: trace = 0.003725260304068634 (15.872% change) linmin: converged after 6 iterations. - iteration 21: trace = 0.003275912354827932 (12.8364% change) + iteration 21: trace = 0.003275912354748756 (12.8364% change) linmin: converged after 3 iterations. - iteration 22: trace = 0.00321729191426386 (1.80559% change) + iteration 22: trace = 0.003217291914038384 (1.80559% change) linmin: converged after 5 iterations. - iteration 23: trace = 0.003089322841901015 (4.05825% change) + iteration 23: trace = 0.00308932284200158 (4.05825% change) linmin: converged after 6 iterations. - iteration 24: trace = 0.002788506790121337 (10.2356% change) + iteration 24: trace = 0.002788506789923117 (10.2356% change) linmin: converged after 4 iterations. - iteration 25: trace = 0.002710327276137733 (2.84349% change) + iteration 25: trace = 0.002710327275611987 (2.84349% change) linmin: converged after 3 iterations. - iteration 26: trace = 0.002673641018410782 (1.3628% change) + iteration 26: trace = 0.002673641017994111 (1.3628% change) large trace change predicted (6.80645%) linmin: converged after 5 iterations. - iteration 27: trace = 0.002438399819800866 (9.20342% change) + iteration 27: trace = 0.00243839982068261 (9.20342% change) linmin: converged after 6 iterations. - iteration 28: trace = 0.002033628117893882 (18.1024% change) + iteration 28: trace = 0.002033628118501227 (18.1024% change) linmin: converged after 4 iterations. - iteration 29: trace = 0.001932625575540724 (5.0931% change) + iteration 29: trace = 0.001932625575621425 (5.0931% change) linmin: converged after 3 iterations. - iteration 30: trace = 0.001907447121682367 (1.31135% change) + iteration 30: trace = 0.00190744712172359 (1.31135% change) large trace change predicted (3.49617%) linmin: converged after 4 iterations. - iteration 31: trace = 0.001834380521748458 (3.9054% change) + iteration 31: trace = 0.001834380521982554 (3.9054% change) linmin: converged after 5 iterations. - iteration 32: trace = 0.001693627002757739 (7.97921% change) + iteration 32: trace = 0.001693627002882612 (7.97921% change) linmin: converged after 3 iterations. - iteration 33: trace = 0.001645862013277153 (2.86062% change) + iteration 33: trace = 0.001645862013250786 (2.86062% change) linmin: converged after 3 iterations. - iteration 34: trace = 0.001621572416332617 (1.48677% change) + iteration 34: trace = 0.00162157241635545 (1.48677% change) large trace change predicted (5.19604%) linmin: converged after 4 iterations. - iteration 35: trace = 0.001526837304743273 (6.01797% change) + iteration 35: trace = 0.001526837305204811 (6.01797% change) linmin: converged after 5 iterations. - iteration 36: trace = 0.001331181622065788 (13.6917% change) + iteration 36: trace = 0.001331181622609916 (13.6917% change) linmin: converged after 4 iterations. - iteration 37: trace = 0.001255055950375255 (5.88698% change) + iteration 37: trace = 0.001255055950679983 (5.88698% change) linmin: converged after 3 iterations. - iteration 38: trace = 0.001231638631463513 (1.88341% change) + iteration 38: trace = 0.001231638631723321 (1.88341% change) linmin: converged after 3 iterations. - iteration 39: trace = 0.001191185578571564 (3.33933% change) + iteration 39: trace = 0.001191185578855174 (3.33933% change) linmin: converged after 4 iterations. - iteration 40: trace = 0.001115731224187569 (6.54158% change) + iteration 40: trace = 0.001115731224371966 (6.54158% change) linmin: converged after 3 iterations. - iteration 41: trace = 0.001081930559026527 (3.07606% change) + iteration 41: trace = 0.001081930559096441 (3.07606% change) linmin: converged after 4 iterations. - iteration 42: trace = 0.001070713334854979 (1.04218% change) + iteration 42: trace = 0.001070713334915742 (1.04218% change) linmin: converged after 3 iterations. - iteration 43: trace = 0.001050332277628762 (1.92179% change) + iteration 43: trace = 0.001050332277760946 (1.92179% change) large trace change predicted (5.53461%) linmin: converged after 4 iterations. - iteration 44: trace = 0.000987163372203733 (6.20064% change) + iteration 44: trace = 0.0009871633724335882 (6.20064% change) linmin: converged after 4 iterations. - iteration 45: trace = 0.0009348499846542396 (5.4436% change) + iteration 45: trace = 0.0009348499847442413 (5.4436% change) linmin: converged after 3 iterations. - iteration 46: trace = 0.0009186091628691179 (1.75249% change) + iteration 46: trace = 0.0009186091629092011 (1.75249% change) linmin: converged after 4 iterations. - iteration 47: trace = 0.0009053624949987563 (1.45251% change) + iteration 47: trace = 0.0009053624950684855 (1.45251% change) large trace change predicted (4.01003%) linmin: converged after 3 iterations. - iteration 48: trace = 0.0008674888830445566 (4.27262% change) + iteration 48: trace = 0.0008674888832388871 (4.27262% change) linmin: converged after 3 iterations. - iteration 49: trace = 0.0008159178080335557 (6.12699% change) + iteration 49: trace = 0.0008159178081785649 (6.12699% change) linmin: converged after 4 iterations. - iteration 50: trace = 0.0007976349713781021 (2.26616% change) + iteration 50: trace = 0.0007976349714469041 (2.26616% change) linmin: converged after 4 iterations. - iteration 51: trace = 0.000791617209769586 (0.757307% change) + iteration 51: trace = 0.0007916172098281029 (0.757307% change) linmin: converged after 4 iterations. - iteration 52: trace = 0.000782647637445911 (1.13953% change) + iteration 52: trace = 0.0007826476375286576 (1.13953% change) large trace change predicted (2.68833%) linmin: converged after 3 iterations. - iteration 53: trace = 0.0007610683319941925 (2.79576% change) + iteration 53: trace = 0.0007610683320960094 (2.79576% change) linmin: converged after 4 iterations. - iteration 54: trace = 0.0007448033462511633 (2.16021% change) + iteration 54: trace = 0.0007448033462970293 (2.16021% change) linmin: converged after 4 iterations. - iteration 55: trace = 0.0007395059081910645 (0.713792% change) + iteration 55: trace = 0.000739505908216725 (0.713792% change) linmin: converged after 4 iterations. - iteration 56: trace = 0.000734989723014633 (0.612574% change) + iteration 56: trace = 0.0007349897230470808 (0.612574% change) large trace change predicted (1.82366%) linmin: converged after 4 iterations. - iteration 57: trace = 0.0007213725308981069 (1.87003% change) + iteration 57: trace = 0.0007213725309782331 (1.87003% change) linmin: converged after 3 iterations. - iteration 58: trace = 0.0006974056183843871 (3.37853% change) + iteration 58: trace = 0.0006974056184775189 (3.37853% change) linmin: converged after 4 iterations. - iteration 59: trace = 0.0006857685871166295 (1.68266% change) + iteration 59: trace = 0.0006857685871829858 (1.68266% change) linmin: converged after 4 iterations. - iteration 60: trace = 0.0006809629613303769 (0.703229% change) + iteration 60: trace = 0.0006809629613935993 (0.703229% change) linmin: converged after 4 iterations. - iteration 61: trace = 0.0006737065008076734 (1.07133% change) + iteration 61: trace = 0.0006737065008860163 (1.07133% change) linmin: converged after 4 iterations. - iteration 62: trace = 0.0006595597907065947 (2.12211% change) + iteration 62: trace = 0.0006595597907799842 (2.12211% change) linmin: converged after 4 iterations. - iteration 63: trace = 0.0006509089490059122 (1.32027% change) + iteration 63: trace = 0.0006509089490420431 (1.32027% change) linmin: converged after 4 iterations. - iteration 64: trace = 0.0006483901390092811 (0.387718% change) + iteration 64: trace = 0.0006483901390349978 (0.387718% change) linmin: converged after 4 iterations. - iteration 65: trace = 0.0006465124061345836 (0.290019% change) + iteration 65: trace = 0.0006465124061633615 (0.290019% change) large trace change predicted (0.811341%) linmin: converged after 4 iterations. - iteration 66: trace = 0.0006412331173909334 (0.819927% change) + iteration 66: trace = 0.0006412331174397599 (0.819927% change) linmin: converged after 4 iterations. - iteration 67: trace = 0.0006311167036627953 (1.59019% change) + iteration 67: trace = 0.0006311167037102374 (1.59019% change) linmin: converged after 4 iterations. - iteration 68: trace = 0.0006255870591604881 (0.880024% change) + iteration 68: trace = 0.0006255870591854515 (0.880024% change) linmin: converged after 4 iterations. - iteration 69: trace = 0.0006232810581683197 (0.369295% change) + iteration 69: trace = 0.0006232810581896288 (0.369295% change) resetting CG direction... linmin: converged after 3 iterations. - iteration 70: trace = 0.0006225571732045051 (0.116209% change) + iteration 70: trace = 0.0006225571732264831 (0.116209% change) large trace change predicted (0.609983%) linmin: converged after 3 iterations. - iteration 71: trace = 0.0006187620007070495 (0.611474% change) + iteration 71: trace = 0.0006187620007288117 (0.611474% change) large trace change predicted (1.73973%) linmin: converged after 3 iterations. - iteration 72: trace = 0.0006080141759784033 (1.75221% change) + iteration 72: trace = 0.0006080141758252813 (1.75221% change) linmin: converged after 3 iterations. - iteration 73: trace = 0.0006035622678304225 (0.734895% change) + iteration 73: trace = 0.0006035622678293295 (0.734895% change) linmin: converged after 3 iterations. - iteration 74: trace = 0.0005956759415962494 (1.31522% change) + iteration 74: trace = 0.0005956759405356759 (1.31522% change) large trace change predicted (2.85632%) linmin: converged after 3 iterations. - iteration 75: trace = 0.0005786878970640165 (2.89315% change) + iteration 75: trace = 0.0005786878970390575 (2.89315% change) linmin: converged after 4 iterations. - iteration 76: trace = 0.0005632744308316242 (2.69947% change) + iteration 76: trace = 0.0005632744308099269 (2.69947% change) linmin: converged after 2 iterations. - iteration 77: trace = 0.0005628726027648138 (0.0713633% change) + iteration 77: trace = 0.0005628726027656716 (0.0713633% change) large trace change predicted (0.145053%) linmin: converged after 3 iterations. - iteration 78: trace = 0.0005620566909256537 (0.14506% change) + iteration 78: trace = 0.0005620566908716946 (0.14506% change) large trace change predicted (0.920718%) linmin: converged after 3 iterations. - iteration 79: trace = 0.0005569012686996278 (0.921468% change) + iteration 79: trace = 0.000556901268681292 (0.921468% change) linmin: converged after 3 iterations. - iteration 80: trace = 0.0005530168479597191 (0.699947% change) + iteration 80: trace = 0.0005530168479425287 (0.699947% change) linmin: converged after 3 iterations. - iteration 81: trace = 0.0005523447937986331 (0.121599% change) + iteration 81: trace = 0.0005523447938003187 (0.121599% change) linmin: converged after 3 iterations. - iteration 82: trace = 0.0005519201577228758 (0.0769084% change) + iteration 82: trace = 0.0005519201577309775 (0.0769084% change) linmin: converged after 3 iterations. - iteration 83: trace = 0.0005511154675307357 (0.145905% change) + iteration 83: trace = 0.0005511154675313521 (0.145905% change) large trace change predicted (0.454137%) linmin: converged after 3 iterations. - iteration 84: trace = 0.0005486399805369761 (0.450189% change) + iteration 84: trace = 0.0005486399805239931 (0.450189% change) linmin: converged after 3 iterations. - iteration 85: trace = 0.0005483001043197841 (0.0619681% change) + iteration 85: trace = 0.0005483001043171835 (0.0619681% change) linmin: converged after 3 iterations. - iteration 86: trace = 0.0005481437586088394 (0.0285187% change) + iteration 86: trace = 0.0005481437586181073 (0.0285187% change) large trace change predicted (0.103654%) linmin: converged after 3 iterations. - iteration 87: trace = 0.000547576267321679 (0.103583% change) + iteration 87: trace = 0.0005475762673197047 (0.103583% change) linmin: converged after 2 iterations. - iteration 88: trace = 0.0005471173775082813 (0.0838389% change) + iteration 88: trace = 0.0005471173774945857 (0.0838389% change) linmin: converged after 2 iterations. - iteration 89: trace = 0.0005469543549641757 (0.0298011% change) + iteration 89: trace = 0.0005469543549642727 (0.0298011% change) linmin: converged after 2 iterations. - iteration 90: trace = 0.0005468753842767918 (0.0144393% change) + iteration 90: trace = 0.000546875384289591 (0.0144393% change) large trace change predicted (0.179336%) linmin: converged after 4 iterations. - iteration 91: trace = 0.0005458908535778842 (0.180191% change) + iteration 91: trace = 0.0005458908535788506 (0.180191% change) linmin: converged after 2 iterations. - iteration 92: trace = 0.0005457402125965552 (0.0275992% change) + iteration 92: trace = 0.0005457402125763122 (0.0275993% change) linmin: converged after 2 iterations. - iteration 93: trace = 0.0005454536841269865 (0.0525165% change) + iteration 93: trace = 0.0005454536841279952 (0.0525165% change) linmin: converged after 2 iterations. - iteration 94: trace = 0.0005453725909077288 (0.0148682% change) + iteration 94: trace = 0.0005453725909287778 (0.0148682% change) large trace change predicted (0.0882481%) linmin: converged after 3 iterations. - iteration 95: trace = 0.0005448913918826236 (0.088272% change) + iteration 95: trace = 0.0005448913918828333 (0.088272% change) linmin: converged after 2 iterations. - iteration 96: trace = 0.0005447734720807123 (0.0216433% change) + iteration 96: trace = 0.0005447734720489816 (0.0216433% change) large trace change predicted (0.0981658%) linmin: converged after 2 iterations. - iteration 97: trace = 0.0005442386144210216 (0.098228% change) + iteration 97: trace = 0.0005442386144224826 (0.098228% change) linmin: converged after 2 iterations. - iteration 98: trace = 0.0005442276851013754 (0.00200821% change) + iteration 98: trace = 0.0005442276851037333 (0.00200821% change) large trace change predicted (0.082279%) linmin: converged after 3 iterations. - iteration 99: trace = 0.0005437776922384293 (0.0827189% change) + iteration 99: trace = 0.0005437776922351673 (0.0827189% change) linmin: converged after 2 iterations. - iteration 100: trace = 0.0005437640368084018 (0.00251125% change) + iteration 100: trace = 0.0005437640368040438 (0.00251125% change) large trace change predicted (0.0242661%) linmin: converged after 2 iterations. - iteration 101: trace = 0.000543631878746202 (0.0243073% change) + iteration 101: trace = 0.0005436318787471159 (0.0243073% change) linmin: converged after 2 iterations. - iteration 102: trace = 0.0005436266544387058 (0.000961006% change) + iteration 102: trace = 0.0005436266544394643 (0.000961006% change) large trace change predicted (0.0202723%) linmin: converged after 2 iterations. - iteration 103: trace = 0.000543516378075383 (0.0202874% change) + iteration 103: trace = 0.0005435163780747022 (0.0202874% change) linmin: converged after 2 iterations. - iteration 104: trace = 0.0005435111183287109 (0.00096773% change) + iteration 104: trace = 0.0005435111183271093 (0.00096773% change) large trace change predicted (0.0121753%) linmin: converged after 3 iterations. - iteration 105: trace = 0.0005434449567638206 (0.0121737% change) + iteration 105: trace = 0.0005434449567639252 (0.0121737% change) linmin: converged after 2 iterations. - iteration 106: trace = 0.0005434410274727657 (0.000723036% change) + iteration 106: trace = 0.0005434410274737952 (0.000723036% change) large trace change predicted (0.0153686%) linmin: converged after 3 iterations. - iteration 107: trace = 0.000543357583724769 (0.0153559% change) + iteration 107: trace = 0.0005433575837246235 (0.0153559% change) linmin: converged after 2 iterations. - iteration 108: trace = 0.0005433559425934892 (0.000302036% change) + iteration 108: trace = 0.0005433559425933261 (0.000302036% change) large trace change predicted (0.0117648%) linmin: converged after 3 iterations. - iteration 109: trace = 0.0005432920431473641 (0.0117608% change) + iteration 109: trace = 0.0005432920431488091 (0.0117608% change) linmin: converged after 2 iterations. - iteration 110: trace = 0.0005432896628366341 (0.000438128% change) + iteration 110: trace = 0.0005432896628367583 (0.000438128% change) large trace change predicted (0.00949573%) linmin: converged after 2 iterations. - iteration 111: trace = 0.0005432380426682869 (0.00950186% change) + iteration 111: trace = 0.0005432380426651576 (0.00950186% change) linmin: converged after 2 iterations. - iteration 112: trace = 0.0005432331257739402 (0.000905113% change) + iteration 112: trace = 0.0005432331257739019 (0.000905112% change) large trace change predicted (0.00221037%) linmin: converged after 2 iterations. - iteration 113: trace = 0.000543221116361951 (0.00221075% change) + iteration 113: trace = 0.0005432211163624255 (0.00221075% change) linmin: converged after 2 iterations. - iteration 114: trace = 0.0005432204746704915 (0.000118127% change) + iteration 114: trace = 0.0005432204746705343 (0.000118127% change) large trace change predicted (0.00265795%) linmin: converged after 2 iterations. - iteration 115: trace = 0.0005432060353813971 (0.00265813% change) + iteration 115: trace = 0.000543206035379607 (0.00265813% change) linmin: converged after 2 iterations. - iteration 116: trace = 0.0005432036139747397 (0.000445763% change) + iteration 116: trace = 0.0005432036139747121 (0.000445763% change) linmin: converged after 2 iterations. - iteration 117: trace = 0.0005431990785116193 (0.000834951% change) + iteration 117: trace = 0.0005431990785126204 (0.00083495% change) linmin: converged after 2 iterations. - iteration 118: trace = 0.0005431979264061372 (0.000212097% change) - large trace change predicted (0.000723263%) + iteration 118: trace = 0.0005431979264061089 (0.000212097% change) + large trace change predicted (0.000723264%) linmin: converged after 2 iterations. - iteration 119: trace = 0.0005431939976704792 (0.000723263% change) + iteration 119: trace = 0.0005431939976693067 (0.000723263% change) linmin: converged after 2 iterations. - iteration 120: trace = 0.0005431920389551275 (0.000360593% change) + iteration 120: trace = 0.0005431920389550877 (0.000360593% change) large trace change predicted (0.00103864%) linmin: converged after 2 iterations. - iteration 121: trace = 0.0005431863971834095 (0.00103864% change) + iteration 121: trace = 0.0005431863971846128 (0.00103864% change) linmin: converged after 2 iterations. - iteration 122: trace = 0.0005431852869783227 (0.000204388% change) + iteration 122: trace = 0.0005431852869783292 (0.000204388% change) linmin: converged after 2 iterations. - iteration 123: trace = 0.000543184531099469 (0.000139157% change) + iteration 123: trace = 0.0005431845310989704 (0.000139157% change) large trace change predicted (0.000337847%) linmin: converged after 2 iterations. - iteration 124: trace = 0.0005431826959961891 (0.000337842% change) + iteration 124: trace = 0.000543182695996188 (0.000337842% change) linmin: converged after 2 iterations. - iteration 125: trace = 0.0005431795216100968 (0.000584407% change) + iteration 125: trace = 0.0005431795216108391 (0.000584406% change) linmin: converged after 2 iterations. - iteration 126: trace = 0.000543178894063383 (0.000115532% change) + iteration 126: trace = 0.0005431788940633859 (0.000115532% change) linmin: converged after 2 iterations. - iteration 127: trace = 0.0005431787781330419 (2.13429e-05% change) + iteration 127: trace = 0.0005431787781329483 (2.1343e-05% change) large trace change predicted (0.000240786%) linmin: converged after 2 iterations. - iteration 128: trace = 0.0005431774702791114 (0.000240778% change) + iteration 128: trace = 0.000543177470279114 (0.000240778% change) linmin: converged after 2 iterations. - iteration 129: trace = 0.0005431773353971021 (2.4832e-05% change) + iteration 129: trace = 0.0005431773353972532 (2.4832e-05% change) large trace change predicted (0.000112502%) linmin: converged after 2 iterations. - iteration 130: trace = 0.0005431767243155096 (0.000112501% change) + iteration 130: trace = 0.0005431767243155095 (0.000112501% change) linmin: converged after 2 iterations. - iteration 131: trace = 0.0005431767142489135 (1.85328e-06% change) + iteration 131: trace = 0.0005431767142489163 (1.85328e-06% change) large trace change predicted (2.02553e-05%) linmin: converged after 2 iterations. - iteration 132: trace = 0.0005431766042266818 (2.02553e-05% change) + iteration 132: trace = 0.000543176604226685 (2.02553e-05% change) linmin: converged after 2 iterations. - iteration 133: trace = 0.0005431765741613696 (5.53509e-06% change) + iteration 133: trace = 0.0005431765741614099 (5.53508e-06% change) large trace change predicted (3.94766e-05%) linmin: converged after 2 iterations. - iteration 134: trace = 0.0005431763597343467 (3.94765e-05% change) + iteration 134: trace = 0.0005431763597343488 (3.94765e-05% change) linmin: converged after 2 iterations. - iteration 135: trace = 0.000543176350304105 (1.73613e-06% change) + iteration 135: trace = 0.0005431763503041036 (1.73613e-06% change) large trace change predicted (2.12872e-05%) linmin: converged after 2 iterations. - iteration 136: trace = 0.0005431762346775087 (2.12871e-05% change) + iteration 136: trace = 0.000543176234677511 (2.12871e-05% change) linmin: converged after 2 iterations. - iteration 137: trace = 0.0005431762149597989 (3.63008e-06% change) + iteration 137: trace = 0.0005431762149598218 (3.63007e-06% change) large trace change predicted (1.89982e-05%) linmin: converged after 2 iterations. - iteration 138: trace = 0.0005431761117660975 (1.89982e-05% change) + iteration 138: trace = 0.0005431761117660984 (1.89982e-05% change) linmin: converged after 2 iterations. - iteration 139: trace = 0.0005431761082614572 (6.45213e-07% change) + iteration 139: trace = 0.000543176108261459 (6.45212e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314172 -elapsed time for k point: 2.0197901725769043 -total elapsed time for run: 2.04203200340271 +elapsed time for k point: 6.821116209030151 +total elapsed time for run: 6.882558584213257 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -69675,332 +65865,332 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.02221512794494629 +elapsed time for initialization: 0.03383898735046387 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. - iteration 1: trace = 0.01396294122459341 (199.998% change) + iteration 1: trace = 0.01396294122459344 (199.998% change) linmin: converged after 7 iterations. - iteration 2: trace = 0.01327637332042484 (5.04101% change) + iteration 2: trace = 0.01327637332042482 (5.04101% change) linmin: converged after 5 iterations. - iteration 3: trace = 0.01313625235226446 (1.06102% change) + iteration 3: trace = 0.01313625235226433 (1.06102% change) near maximum in trace linmin: converged after 6 iterations. - iteration 4: trace = 0.01142626466081094 (13.9236% change) + iteration 4: trace = 0.0114262646608427 (13.9236% change) linmin: converged after 8 iterations. - iteration 5: trace = 0.01057784268141021 (7.71149% change) + iteration 5: trace = 0.0105778426814247 (7.71149% change) linmin: converged after 6 iterations. - iteration 6: trace = 0.0101363985755588 (4.26223% change) + iteration 6: trace = 0.01013639857555772 (4.26223% change) linmin: converged after 6 iterations. - iteration 7: trace = 0.009897078209518385 (2.3892% change) + iteration 7: trace = 0.009897078209514276 (2.3892% change) linmin: converged after 8 iterations. - iteration 8: trace = 0.008886564416138045 (10.7595% change) + iteration 8: trace = 0.008886564416124102 (10.7595% change) linmin: converged after 6 iterations. - iteration 9: trace = 0.008565145991401256 (3.68352% change) + iteration 9: trace = 0.008565145991395282 (3.68352% change) linmin: converged after 4 iterations. - iteration 10: trace = 0.008397849844177109 (1.97248% change) + iteration 10: trace = 0.008397849844160287 (1.97248% change) large trace change predicted (5.94936%) linmin: converged after 8 iterations. - iteration 11: trace = 0.007175141845434898 (15.7029% change) + iteration 11: trace = 0.007175141845411724 (15.7029% change) linmin: converged after 5 iterations. - iteration 12: trace = 0.00693988627934725 (3.33341% change) + iteration 12: trace = 0.006939886279331015 (3.33341% change) linmin: converged after 5 iterations. - iteration 13: trace = 0.006754220864517417 (2.71161% change) + iteration 13: trace = 0.006754220864490118 (2.71161% change) linmin: converged after 8 iterations. - iteration 14: trace = 0.005999068791940736 (11.8425% change) + iteration 14: trace = 0.005999068791934243 (11.8425% change) linmin: converged after 5 iterations. - iteration 15: trace = 0.005828143295087075 (2.89038% change) + iteration 15: trace = 0.005828143295089338 (2.89038% change) linmin: converged after 5 iterations. - iteration 16: trace = 0.005499745249108462 (5.79805% change) + iteration 16: trace = 0.005499745249097797 (5.79805% change) linmin: converged after 5 iterations. - iteration 17: trace = 0.004689705950887633 (15.8996% change) + iteration 17: trace = 0.004689705950872016 (15.8996% change) linmin: converged after 4 iterations. - iteration 18: trace = 0.004548216263088865 (3.06324% change) + iteration 18: trace = 0.00454821626307008 (3.06324% change) linmin: converged after 3 iterations. - iteration 19: trace = 0.004494400626864724 (1.19027% change) + iteration 19: trace = 0.004494400626848155 (1.19027% change) large trace change predicted (8.55502%) linmin: converged after 6 iterations. - iteration 20: trace = 0.003852697661175374 (15.3755% change) + iteration 20: trace = 0.003852697661184533 (15.3755% change) linmin: converged after 6 iterations. - iteration 21: trace = 0.003401441414578578 (12.4413% change) + iteration 21: trace = 0.003401441414579496 (12.4413% change) linmin: converged after 3 iterations. - iteration 22: trace = 0.003342291500872484 (1.75422% change) + iteration 22: trace = 0.003342291500870931 (1.75422% change) linmin: converged after 5 iterations. - iteration 23: trace = 0.003210733866357022 (4.01517% change) + iteration 23: trace = 0.003210733866362605 (4.01517% change) linmin: converged after 6 iterations. - iteration 24: trace = 0.002909608419542651 (9.84015% change) + iteration 24: trace = 0.002909608419534281 (9.84015% change) linmin: converged after 4 iterations. - iteration 25: trace = 0.002833135702054997 (2.66328% change) + iteration 25: trace = 0.002833135702040715 (2.66328% change) linmin: converged after 3 iterations. - iteration 26: trace = 0.002795671508303086 (1.33116% change) + iteration 26: trace = 0.002795671508290575 (1.33116% change) large trace change predicted (6.68769%) linmin: converged after 5 iterations. - iteration 27: trace = 0.002551161055497138 (9.14599% change) + iteration 27: trace = 0.002551161055495985 (9.14599% change) linmin: converged after 6 iterations. - iteration 28: trace = 0.002146624058558601 (17.2225% change) + iteration 28: trace = 0.002146624058566574 (17.2225% change) linmin: converged after 4 iterations. - iteration 29: trace = 0.002047335440850979 (4.73484% change) + iteration 29: trace = 0.002047335440863474 (4.73484% change) linmin: converged after 3 iterations. - iteration 30: trace = 0.002021075958922958 (1.2909% change) + iteration 30: trace = 0.002021075958935488 (1.2909% change) large trace change predicted (3.49827%) linmin: converged after 4 iterations. - iteration 31: trace = 0.001943283503165571 (3.92459% change) + iteration 31: trace = 0.001943283503170069 (3.92459% change) linmin: converged after 5 iterations. - iteration 32: trace = 0.001807179549763089 (7.25798% change) + iteration 32: trace = 0.001807179549753952 (7.25798% change) linmin: converged after 3 iterations. - iteration 33: trace = 0.001763263473831708 (2.45998% change) + iteration 33: trace = 0.001763263473819884 (2.45998% change) linmin: converged after 3 iterations. - iteration 34: trace = 0.001737800359338393 (1.45459% change) + iteration 34: trace = 0.00173780035932814 (1.45459% change) large trace change predicted (5.25882%) linmin: converged after 4 iterations. - iteration 35: trace = 0.001633741627722456 (6.17277% change) + iteration 35: trace = 0.001633741627719343 (6.17277% change) linmin: converged after 5 iterations. - iteration 36: trace = 0.00144111480988039 (12.5292% change) + iteration 36: trace = 0.001441114809877337 (12.5292% change) linmin: converged after 4 iterations. - iteration 37: trace = 0.001370755783732292 (5.00443% change) + iteration 37: trace = 0.001370755783728522 (5.00443% change) linmin: converged after 3 iterations. - iteration 38: trace = 0.001346317415230376 (1.79887% change) + iteration 38: trace = 0.001346317415227613 (1.79887% change) linmin: converged after 3 iterations. - iteration 39: trace = 0.001298937134873691 (3.58229% change) + iteration 39: trace = 0.001298937134873148 (3.58229% change) linmin: converged after 4 iterations. - iteration 40: trace = 0.001218627642653946 (6.37993% change) + iteration 40: trace = 0.001218627642656029 (6.37993% change) linmin: converged after 3 iterations. - iteration 41: trace = 0.00118596176471649 (2.71696% change) + iteration 41: trace = 0.001185961764719755 (2.71696% change) linmin: converged after 4 iterations. - iteration 42: trace = 0.001174813105174837 (0.944492% change) + iteration 42: trace = 0.001174813105177768 (0.944492% change) linmin: converged after 3 iterations. - iteration 43: trace = 0.001153265562989905 (1.8511% change) + iteration 43: trace = 0.001153265562989852 (1.8511% change) large trace change predicted (5.22719%) linmin: converged after 4 iterations. - iteration 44: trace = 0.001087433671151787 (5.87601% change) + iteration 44: trace = 0.00108743367114814 (5.87601% change) linmin: converged after 4 iterations. - iteration 45: trace = 0.001034298521881662 (5.00866% change) + iteration 45: trace = 0.001034298521884282 (5.00866% change) linmin: converged after 3 iterations. - iteration 46: trace = 0.001017851035009094 (1.60295% change) + iteration 46: trace = 0.001017851035013724 (1.60295% change) linmin: converged after 4 iterations. - iteration 47: trace = 0.001004519468266591 (1.31841% change) + iteration 47: trace = 0.001004519468268955 (1.31841% change) large trace change predicted (3.61609%) linmin: converged after 3 iterations. - iteration 48: trace = 0.0009665939687762763 (3.84813% change) + iteration 48: trace = 0.0009665939687700462 (3.84813% change) linmin: converged after 3 iterations. - iteration 49: trace = 0.0009133188303390839 (5.66783% change) + iteration 49: trace = 0.0009133188303358663 (5.66783% change) linmin: converged after 3 iterations. - iteration 50: trace = 0.0008935369733028341 (2.18964% change) + iteration 50: trace = 0.0008935369733055747 (2.18964% change) linmin: converged after 4 iterations. - iteration 51: trace = 0.000886884006971483 (0.747348% change) + iteration 51: trace = 0.0008868840069755231 (0.747348% change) linmin: converged after 4 iterations. - iteration 52: trace = 0.0008772749495150331 (1.08936% change) + iteration 52: trace = 0.0008772749495180147 (1.08936% change) large trace change predicted (2.44609%) linmin: converged after 3 iterations. - iteration 53: trace = 0.0008552392129429354 (2.54379% change) + iteration 53: trace = 0.0008552392129427833 (2.54379% change) linmin: converged after 3 iterations. - iteration 54: trace = 0.0008389524700080418 (1.92266% change) + iteration 54: trace = 0.0008389524700076778 (1.92266% change) linmin: converged after 4 iterations. - iteration 55: trace = 0.0008335405326932137 (0.64717% change) + iteration 55: trace = 0.0008335405326929656 (0.64717% change) linmin: converged after 4 iterations. - iteration 56: trace = 0.0008288283473217279 (0.566924% change) + iteration 56: trace = 0.0008288283473208021 (0.566924% change) large trace change predicted (1.66737%) linmin: converged after 4 iterations. - iteration 57: trace = 0.0008147725921408485 (1.71036% change) + iteration 57: trace = 0.000814772592137432 (1.71036% change) linmin: converged after 3 iterations. - iteration 58: trace = 0.0007900793485054786 (3.07732% change) + iteration 58: trace = 0.000790079348502702 (3.07732% change) linmin: converged after 4 iterations. - iteration 59: trace = 0.0007778204750146602 (1.56373% change) + iteration 59: trace = 0.0007778204750144772 (1.56373% change) linmin: converged after 4 iterations. - iteration 60: trace = 0.0007726674683056963 (0.664695% change) + iteration 60: trace = 0.000772667468305976 (0.664695% change) linmin: converged after 4 iterations. - iteration 61: trace = 0.0007649513901897708 (1.00364% change) + iteration 61: trace = 0.0007649513901889924 (1.00364% change) linmin: converged after 3 iterations. - iteration 62: trace = 0.0007496428368886401 (2.02147% change) + iteration 62: trace = 0.0007496428368877253 (2.02147% change) linmin: converged after 4 iterations. - iteration 63: trace = 0.0007398684201150611 (1.31243% change) + iteration 63: trace = 0.0007398684201165921 (1.31243% change) linmin: converged after 4 iterations. - iteration 64: trace = 0.0007370458133985373 (0.38223% change) + iteration 64: trace = 0.0007370458134007473 (0.38223% change) linmin: converged after 4 iterations. - iteration 65: trace = 0.000735191859972615 (0.251855% change) + iteration 65: trace = 0.0007351918599744119 (0.251855% change) large trace change predicted (0.666574%) linmin: converged after 4 iterations. - iteration 66: trace = 0.0007302607013482175 (0.672988% change) + iteration 66: trace = 0.0007302607013479041 (0.672988% change) large trace change predicted (1.44705%) linmin: converged after 4 iterations. - iteration 67: trace = 0.0007195516691339608 (1.4773% change) + iteration 67: trace = 0.0007195516691332926 (1.4773% change) linmin: converged after 4 iterations. - iteration 68: trace = 0.0007127713608884197 (0.946757% change) + iteration 68: trace = 0.0007127713608906345 (0.946757% change) linmin: converged after 4 iterations. - iteration 69: trace = 0.000710117334112892 (0.373048% change) + iteration 69: trace = 0.0007101173341157817 (0.373048% change) resetting CG direction... linmin: converged after 3 iterations. - iteration 70: trace = 0.0007093654384190247 (0.105939% change) + iteration 70: trace = 0.0007093654384218669 (0.105939% change) large trace change predicted (0.55778%) linmin: converged after 3 iterations. - iteration 71: trace = 0.0007054115335778135 (0.558944% change) + iteration 71: trace = 0.000705411533580544 (0.558944% change) linmin: converged after 3 iterations. - iteration 72: trace = 0.0007043508284973863 (0.15048% change) + iteration 72: trace = 0.0007043508285004786 (0.15048% change) large trace change predicted (2.1297%) linmin: converged after 3 iterations. - iteration 73: trace = 0.000689387783738627 (2.14718% change) + iteration 73: trace = 0.0006893877837385344 (2.14718% change) linmin: converged after 3 iterations. - iteration 74: trace = 0.0006869429879505159 (0.355263% change) + iteration 74: trace = 0.0006869429879499206 (0.355263% change) large trace change predicted (3.46402%) linmin: converged after 3 iterations. - iteration 75: trace = 0.000663241973040529 (3.51078% change) + iteration 75: trace = 0.000663241973036735 (3.51078% change) linmin: converged after 4 iterations. - iteration 76: trace = 0.0006461474496940278 (2.61107% change) + iteration 76: trace = 0.0006461474496927666 (2.61107% change) linmin: converged after 2 iterations. - iteration 77: trace = 0.000645382570827874 (0.118445% change) + iteration 77: trace = 0.0006453825708276554 (0.118445% change) linmin: converged after 3 iterations. - iteration 78: trace = 0.0006447710424067101 (0.0947993% change) + iteration 78: trace = 0.0006447710424076794 (0.0947993% change) large trace change predicted (0.757839%) linmin: converged after 3 iterations. - iteration 79: trace = 0.0006399009415614986 (0.758186% change) + iteration 79: trace = 0.0006399009415589562 (0.758186% change) linmin: converged after 3 iterations. - iteration 80: trace = 0.0006345766138954315 (0.835531% change) + iteration 80: trace = 0.0006345766138962219 (0.835531% change) linmin: converged after 3 iterations. - iteration 81: trace = 0.0006342779858427185 (0.0470705% change) + iteration 81: trace = 0.0006342779858427757 (0.0470705% change) large trace change predicted (0.197479%) linmin: converged after 3 iterations. - iteration 82: trace = 0.0006330287779096562 (0.197144% change) + iteration 82: trace = 0.0006330287779099556 (0.197144% change) linmin: converged after 3 iterations. - iteration 83: trace = 0.0006328503458957316 (0.028191% change) + iteration 83: trace = 0.0006328503458957666 (0.028191% change) large trace change predicted (0.477008%) linmin: converged after 3 iterations. - iteration 84: trace = 0.0006298664595368616 (0.472614% change) + iteration 84: trace = 0.0006298664595372126 (0.472614% change) linmin: converged after 3 iterations. - iteration 85: trace = 0.0006297884416290364 (0.0123872% change) + iteration 85: trace = 0.0006297884416292021 (0.0123872% change) large trace change predicted (0.134896%) linmin: converged after 3 iterations. - iteration 86: trace = 0.0006289405513807639 (0.134722% change) + iteration 86: trace = 0.0006289405513807541 (0.134722% change) linmin: converged after 2 iterations. - iteration 87: trace = 0.0006288999747736609 (0.00645179% change) + iteration 87: trace = 0.0006288999747737499 (0.00645179% change) large trace change predicted (0.114108%) linmin: converged after 2 iterations. - iteration 88: trace = 0.0006281819528921466 (0.114236% change) + iteration 88: trace = 0.0006281819528921858 (0.114236% change) linmin: converged after 2 iterations. - iteration 89: trace = 0.000628161281270317 (0.00329076% change) + iteration 89: trace = 0.0006281612812703783 (0.00329076% change) large trace change predicted (0.19915%) linmin: converged after 4 iterations. - iteration 90: trace = 0.0006269048027432523 (0.200225% change) + iteration 90: trace = 0.000626904802743337 (0.200225% change) linmin: converged after 2 iterations. - iteration 91: trace = 0.0006268416995451312 (0.0100663% change) + iteration 91: trace = 0.0006268416995434704 (0.0100663% change) large trace change predicted (0.0707117%) linmin: converged after 4 iterations. - iteration 92: trace = 0.000626398031200671 (0.0708034% change) + iteration 92: trace = 0.0006263980312007239 (0.0708034% change) linmin: converged after 2 iterations. - iteration 93: trace = 0.0006263687788694769 (0.00467004% change) + iteration 93: trace = 0.0006263687788694509 (0.00467004% change) large trace change predicted (0.100754%) linmin: converged after 2 iterations. - iteration 94: trace = 0.0006257376260450012 (0.100815% change) + iteration 94: trace = 0.0006257376260450392 (0.100815% change) linmin: converged after 2 iterations. - iteration 95: trace = 0.0006254476225758918 (0.0463566% change) + iteration 95: trace = 0.0006254476225647274 (0.0463566% change) linmin: converged after 2 iterations. - iteration 96: trace = 0.0006249214954458861 (0.0841555% change) + iteration 96: trace = 0.0006249214954456881 (0.0841555% change) linmin: converged after 2 iterations. - iteration 97: trace = 0.0006249085073484139 (0.00207838% change) + iteration 97: trace = 0.0006249085073482931 (0.00207838% change) large trace change predicted (0.0655912%) linmin: converged after 2 iterations. - iteration 98: trace = 0.0006244969880426135 (0.0658744% change) + iteration 98: trace = 0.0006244969880428375 (0.0658744% change) linmin: converged after 2 iterations. - iteration 99: trace = 0.0006243594162144896 (0.0220316% change) + iteration 99: trace = 0.0006243594162112551 (0.0220316% change) linmin: converged after 2 iterations. - iteration 100: trace = 0.0006242411519433558 (0.0189435% change) + iteration 100: trace = 0.0006242411519433756 (0.0189435% change) linmin: converged after 2 iterations. - iteration 101: trace = 0.0006242120429852499 (0.0046632% change) + iteration 101: trace = 0.0006242120429819745 (0.0046632% change) large trace change predicted (0.0168475%) linmin: converged after 2 iterations. - iteration 102: trace = 0.0006241068170755967 (0.0168588% change) + iteration 102: trace = 0.0006241068170757117 (0.0168588% change) linmin: converged after 3 iterations. - iteration 103: trace = 0.0006240132387222155 (0.0149951% change) + iteration 103: trace = 0.0006240132387217271 (0.0149951% change) linmin: converged after 2 iterations. - iteration 104: trace = 0.0006240067268226032 (0.00104356% change) + iteration 104: trace = 0.0006240067268226067 (0.00104356% change) large trace change predicted (0.0183095%) linmin: converged after 3 iterations. - iteration 105: trace = 0.0006238926340019662 (0.0182856% change) + iteration 105: trace = 0.0006238926340010048 (0.0182856% change) linmin: converged after 2 iterations. - iteration 106: trace = 0.0006238881804011373 (0.000713843% change) + iteration 106: trace = 0.0006238881804011318 (0.000713843% change) large trace change predicted (0.0117224%) linmin: converged after 3 iterations. - iteration 107: trace = 0.0006238150679888384 (0.0117195% change) + iteration 107: trace = 0.0006238150679885372 (0.0117195% change) linmin: converged after 2 iterations. - iteration 108: trace = 0.0006238111858541247 (0.000622323% change) + iteration 108: trace = 0.0006238111858541319 (0.000622323% change) large trace change predicted (0.0102983%) linmin: converged after 2 iterations. - iteration 109: trace = 0.000623746886985712 (0.010308% change) + iteration 109: trace = 0.0006237468869857191 (0.010308% change) linmin: converged after 2 iterations. - iteration 110: trace = 0.0006237433266613875 (0.000570798% change) + iteration 110: trace = 0.0006237433266605454 (0.000570798% change) large trace change predicted (0.00283281%) linmin: converged after 2 iterations. - iteration 111: trace = 0.0006237256523971031 (0.00283362% change) + iteration 111: trace = 0.0006237256523970991 (0.00283362% change) linmin: converged after 2 iterations. - iteration 112: trace = 0.0006237252184688577 (6.95704e-05% change) + iteration 112: trace = 0.0006237252184688408 (6.95704e-05% change) large trace change predicted (0.00313033%) linmin: converged after 2 iterations. - iteration 113: trace = 0.0006237056946706505 (0.00313024% change) + iteration 113: trace = 0.0006237056946706663 (0.00313024% change) linmin: converged after 2 iterations. - iteration 114: trace = 0.0006237007607950098 (0.000791061% change) + iteration 114: trace = 0.0006237007607942054 (0.000791062% change) linmin: converged after 2 iterations. - iteration 115: trace = 0.0006236986742964966 (0.000334536% change) + iteration 115: trace = 0.0006236986742965006 (0.000334536% change) linmin: converged after 2 iterations. - iteration 116: trace = 0.0006236977784986264 (0.000143627% change) + iteration 116: trace = 0.0006236977784983962 (0.000143627% change) large trace change predicted (0.0013261%) linmin: converged after 2 iterations. - iteration 117: trace = 0.0006236895075211971 (0.00132613% change) + iteration 117: trace = 0.0006236895075212109 (0.00132613% change) linmin: converged after 2 iterations. - iteration 118: trace = 0.0006236808514364818 (0.00138789% change) + iteration 118: trace = 0.0006236808514363969 (0.00138789% change) linmin: converged after 2 iterations. - iteration 119: trace = 0.0006236804477339136 (6.47291e-05% change) + iteration 119: trace = 0.0006236804477339188 (6.4729e-05% change) large trace change predicted (0.000231625%) linmin: converged after 2 iterations. - iteration 120: trace = 0.0006236790031526859 (0.000231622% change) + iteration 120: trace = 0.0006236790031520221 (0.000231622% change) linmin: converged after 2 iterations. - iteration 121: trace = 0.0006236775448099675 (0.000233829% change) + iteration 121: trace = 0.0006236775448099845 (0.000233829% change) large trace change predicted (0.000893709%) linmin: converged after 3 iterations. - iteration 122: trace = 0.000623671971520872 (0.000893621% change) + iteration 122: trace = 0.0006236719715208742 (0.000893621% change) linmin: converged after 2 iterations. - iteration 123: trace = 0.000623671928777806 (6.85345e-06% change) + iteration 123: trace = 0.0006236719287778088 (6.85345e-06% change) large trace change predicted (0.000268391%) linmin: converged after 2 iterations. - iteration 124: trace = 0.0006236702549673972 (0.00026838% change) + iteration 124: trace = 0.0006236702549673057 (0.00026838% change) linmin: converged after 2 iterations. - iteration 125: trace = 0.0006236701591373892 (1.53655e-05% change) + iteration 125: trace = 0.0006236701591373873 (1.53655e-05% change) large trace change predicted (0.000167545%) linmin: converged after 2 iterations. - iteration 126: trace = 0.0006236691142128331 (0.000167545% change) + iteration 126: trace = 0.0006236691142128384 (0.000167545% change) linmin: converged after 2 iterations. - iteration 127: trace = 0.0006236690826243756 (5.06494e-06% change) + iteration 127: trace = 0.0006236690826243761 (5.06494e-06% change) large trace change predicted (5.07594e-05%) linmin: converged after 2 iterations. - iteration 128: trace = 0.0006236687660521714 (5.07597e-05% change) + iteration 128: trace = 0.0006236687660521738 (5.07597e-05% change) linmin: converged after 2 iterations. - iteration 129: trace = 0.0006236687434016156 (3.63182e-06% change) + iteration 129: trace = 0.0006236687434015886 (3.63183e-06% change) large trace change predicted (3.23205e-05%) linmin: converged after 2 iterations. - iteration 130: trace = 0.0006236685418293207 (3.23204e-05% change) + iteration 130: trace = 0.0006236685418293253 (3.23204e-05% change) linmin: converged after 2 iterations. - iteration 131: trace = 0.0006236684592828836 (1.32356e-05% change) + iteration 131: trace = 0.0006236684592828954 (1.32356e-05% change) large trace change predicted (2.8915e-05%) linmin: converged after 2 iterations. - iteration 132: trace = 0.0006236682789503597 (2.89148e-05% change) + iteration 132: trace = 0.0006236682789503623 (2.89148e-05% change) linmin: converged after 2 iterations. - iteration 133: trace = 0.0006236681122852685 (2.67234e-05% change) + iteration 133: trace = 0.000623668112285246 (2.67234e-05% change) linmin: converged after 2 iterations. - iteration 134: trace = 0.0006236680961513038 (2.58695e-06% change) + iteration 134: trace = 0.0006236680961513032 (2.58694e-06% change) large trace change predicted (1.20072e-05%) linmin: converged after 2 iterations. - iteration 135: trace = 0.0006236680212656702 (1.20073e-05% change) + iteration 135: trace = 0.000623668021265661 (1.20073e-05% change) large trace change predicted (3.59892e-05%) linmin: converged after 2 iterations. - iteration 136: trace = 0.0006236677968098786 (3.59896e-05% change) + iteration 136: trace = 0.0006236677968098788 (3.59896e-05% change) linmin: converged after 2 iterations. - iteration 137: trace = 0.0006236677322588559 (1.03502e-05% change) + iteration 137: trace = 0.0006236677322588554 (1.03502e-05% change) linmin: converged after 1 iterations. - iteration 138: trace = 0.0006236677264374844 (9.33409e-07% change) + iteration 138: trace = 0.0006236677264374821 (9.33409e-07% change) Finished solving for bands 1 to 1 after 138 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.311508 -elapsed time for k point: 1.9554553031921387 -total elapsed time for run: 1.9778029918670654 +elapsed time for k point: 4.407097578048706 +total elapsed time for run: 4.441082715988159 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -70080,7 +66270,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.023196935653686523 +elapsed time for initialization: 0.06133627891540527 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -70404,8 +66594,8 @@ iteration 139: trace = 0.0005435712197209093 (7.00717e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159 -elapsed time for k point: 2.0835909843444824 -total elapsed time for run: 2.106916904449463 +elapsed time for k point: 4.0703370571136475 +total elapsed time for run: 4.13181734085083 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -70485,7 +66675,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.022372007369995117 +elapsed time for initialization: 0.045339107513427734 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -70493,318 +66683,318 @@ linmin: converged after 7 iterations. iteration 1: trace = 0.01396282863191972 (199.998% change) linmin: converged after 7 iterations. - iteration 2: trace = 0.01327661774820582 (5.03836% change) + iteration 2: trace = 0.01327661774820583 (5.03836% change) linmin: converged after 5 iterations. - iteration 3: trace = 0.01313475705921867 (1.07424% change) + iteration 3: trace = 0.01313475705921864 (1.07424% change) near maximum in trace linmin: converged after 6 iterations. - iteration 4: trace = 0.0114284820601211 (13.8929% change) + iteration 4: trace = 0.01142848206012368 (13.8929% change) linmin: converged after 8 iterations. - iteration 5: trace = 0.01057459146038172 (7.76156% change) + iteration 5: trace = 0.01057459146038807 (7.76156% change) linmin: converged after 6 iterations. - iteration 6: trace = 0.01012549991920006 (4.33903% change) + iteration 6: trace = 0.01012549991919842 (4.33903% change) linmin: converged after 6 iterations. - iteration 7: trace = 0.009886881715103948 (2.38471% change) + iteration 7: trace = 0.009886881715104675 (2.38471% change) linmin: converged after 8 iterations. - iteration 8: trace = 0.008866172559988101 (10.8858% change) + iteration 8: trace = 0.008866172559982406 (10.8858% change) linmin: converged after 6 iterations. - iteration 9: trace = 0.008540877170779771 (3.73751% change) + iteration 9: trace = 0.008540877170773477 (3.73751% change) linmin: converged after 4 iterations. - iteration 10: trace = 0.008362498806993695 (2.11056% change) + iteration 10: trace = 0.008362498806984713 (2.11056% change) large trace change predicted (6.02681%) linmin: converged after 8 iterations. - iteration 11: trace = 0.00712405694737991 (15.9938% change) + iteration 11: trace = 0.007124056947359914 (15.9938% change) linmin: converged after 5 iterations. - iteration 12: trace = 0.006890108051136173 (3.33875% change) + iteration 12: trace = 0.006890108051118198 (3.33875% change) linmin: converged after 5 iterations. - iteration 13: trace = 0.006697796647897047 (2.83063% change) + iteration 13: trace = 0.006697796647885593 (2.83063% change) linmin: converged after 8 iterations. - iteration 14: trace = 0.005932474498651875 (12.1189% change) + iteration 14: trace = 0.005932474498667323 (12.1189% change) linmin: converged after 5 iterations. - iteration 15: trace = 0.005760215701241404 (2.94644% change) + iteration 15: trace = 0.005760215701259074 (2.94644% change) linmin: converged after 5 iterations. - iteration 16: trace = 0.005429156740656219 (5.91738% change) + iteration 16: trace = 0.00542915674068223 (5.91738% change) linmin: converged after 6 iterations. - iteration 17: trace = 0.0046237269309487 (16.0239% change) + iteration 17: trace = 0.00462372693095089 (16.0239% change) linmin: converged after 4 iterations. - iteration 18: trace = 0.004483952645940373 (3.06937% change) + iteration 18: trace = 0.004483952645932768 (3.06937% change) linmin: converged after 3 iterations. - iteration 19: trace = 0.004429612849637454 (1.21926% change) + iteration 19: trace = 0.004429612849632186 (1.21926% change) large trace change predicted (8.67783%) linmin: converged after 6 iterations. - iteration 20: trace = 0.00378907733911895 (15.5873% change) + iteration 20: trace = 0.003789077339124114 (15.5873% change) linmin: converged after 6 iterations. - iteration 21: trace = 0.003338025666280661 (12.6574% change) + iteration 21: trace = 0.003338025666278235 (12.6574% change) linmin: converged after 3 iterations. - iteration 22: trace = 0.003278987446412594 (1.78444% change) + iteration 22: trace = 0.003278987446408762 (1.78444% change) linmin: converged after 5 iterations. - iteration 23: trace = 0.003149820606566866 (4.01838% change) + iteration 23: trace = 0.00314982060656463 (4.01838% change) linmin: converged after 6 iterations. - iteration 24: trace = 0.002848331511886508 (10.0527% change) + iteration 24: trace = 0.002848331511884366 (10.0527% change) linmin: converged after 4 iterations. - iteration 25: trace = 0.002770456695460308 (2.77194% change) + iteration 25: trace = 0.002770456695460437 (2.77194% change) linmin: converged after 3 iterations. - iteration 26: trace = 0.002733517993166782 (1.34226% change) + iteration 26: trace = 0.002733517993166675 (1.34226% change) large trace change predicted (6.7119%) linmin: converged after 5 iterations. - iteration 27: trace = 0.002495418664506267 (9.10699% change) + iteration 27: trace = 0.002495418664496883 (9.10699% change) linmin: converged after 6 iterations. - iteration 28: trace = 0.002090277746202956 (17.6698% change) + iteration 28: trace = 0.002090277746205806 (17.6698% change) linmin: converged after 4 iterations. - iteration 29: trace = 0.001989520888821057 (4.93931% change) + iteration 29: trace = 0.001989520888828935 (4.93931% change) linmin: converged after 3 iterations. - iteration 30: trace = 0.001963871598315264 (1.29758% change) + iteration 30: trace = 0.001963871598319965 (1.29758% change) large trace change predicted (3.47594%) linmin: converged after 4 iterations. - iteration 31: trace = 0.001888954636072926 (3.88894% change) + iteration 31: trace = 0.001888954636066098 (3.88894% change) linmin: converged after 5 iterations. - iteration 32: trace = 0.001749742206433316 (7.65177% change) + iteration 32: trace = 0.001749742206447007 (7.65177% change) linmin: converged after 3 iterations. - iteration 33: trace = 0.001703401511977219 (2.68397% change) + iteration 33: trace = 0.001703401512005148 (2.68397% change) linmin: converged after 3 iterations. - iteration 34: trace = 0.001678658569900026 (1.46319% change) + iteration 34: trace = 0.001678658569925202 (1.46319% change) large trace change predicted (5.18144%) linmin: converged after 4 iterations. - iteration 35: trace = 0.00158038181903199 (6.03102% change) + iteration 35: trace = 0.001580381819033191 (6.03102% change) linmin: converged after 5 iterations. - iteration 36: trace = 0.001385927759958251 (13.1108% change) + iteration 36: trace = 0.001385927759981668 (13.1108% change) linmin: converged after 4 iterations. - iteration 37: trace = 0.001312106703421751 (5.47221% change) + iteration 37: trace = 0.001312106703467459 (5.47221% change) linmin: converged after 3 iterations. - iteration 38: trace = 0.001288217074223725 (1.83743% change) + iteration 38: trace = 0.001288217074265553 (1.83743% change) linmin: converged after 3 iterations. - iteration 39: trace = 0.001244812802907718 (3.42706% change) + iteration 39: trace = 0.001244812802924694 (3.42706% change) linmin: converged after 4 iterations. - iteration 40: trace = 0.001167068511293832 (6.44678% change) + iteration 40: trace = 0.001167068511296505 (6.44678% change) linmin: converged after 3 iterations. - iteration 41: trace = 0.001133684462043659 (2.90201% change) + iteration 41: trace = 0.001133684462053277 (2.90201% change) linmin: converged after 4 iterations. - iteration 42: trace = 0.001122485570880647 (0.992735% change) + iteration 42: trace = 0.001122485570891938 (0.992735% change) linmin: converged after 3 iterations. - iteration 43: trace = 0.001101592563315935 (1.8788% change) + iteration 43: trace = 0.001101592563326055 (1.8788% change) large trace change predicted (5.3706%) linmin: converged after 4 iterations. - iteration 44: trace = 0.001037151673681686 (6.02605% change) + iteration 44: trace = 0.001037151673686842 (6.02605% change) linmin: converged after 4 iterations. - iteration 45: trace = 0.000984287094551253 (5.23039% change) + iteration 45: trace = 0.0009842870945525174 (5.23039% change) linmin: converged after 3 iterations. - iteration 46: trace = 0.0009678995947534663 (1.67889% change) + iteration 46: trace = 0.0009678995947539342 (1.67889% change) linmin: converged after 4 iterations. - iteration 47: trace = 0.000954616043814449 (1.38189% change) + iteration 47: trace = 0.0009546160438164371 (1.38189% change) large trace change predicted (3.80118%) linmin: converged after 3 iterations. - iteration 48: trace = 0.0009167470664848677 (4.04721% change) + iteration 48: trace = 0.0009167470664933519 (4.04721% change) linmin: converged after 3 iterations. - iteration 49: trace = 0.0008643207672006787 (5.88706% change) + iteration 49: trace = 0.0008643207672092436 (5.88706% change) linmin: converged after 3 iterations. - iteration 50: trace = 0.0008453159364075107 (2.22326% change) + iteration 50: trace = 0.0008453159364123718 (2.22326% change) linmin: converged after 4 iterations. - iteration 51: trace = 0.0008390202919889473 (0.747552% change) + iteration 51: trace = 0.0008390202919924192 (0.747552% change) linmin: converged after 4 iterations. - iteration 52: trace = 0.0008298051200206901 (1.10439% change) + iteration 52: trace = 0.0008298051200236034 (1.10439% change) large trace change predicted (2.55833%) linmin: converged after 3 iterations. - iteration 53: trace = 0.0008080190557798996 (2.66037% change) + iteration 53: trace = 0.0008080190557841493 (2.66037% change) linmin: converged after 4 iterations. - iteration 54: trace = 0.0007916285670272648 (2.04926% change) + iteration 54: trace = 0.0007916285670326581 (2.04926% change) linmin: converged after 4 iterations. - iteration 55: trace = 0.0007862346773187763 (0.683695% change) + iteration 55: trace = 0.0007862346773241424 (0.683695% change) linmin: converged after 4 iterations. - iteration 56: trace = 0.0007816219256371879 (0.588415% change) + iteration 56: trace = 0.0007816219256423189 (0.588415% change) large trace change predicted (1.73592%) linmin: converged after 4 iterations. - iteration 57: trace = 0.0007678304831481996 (1.78017% change) + iteration 57: trace = 0.0007678304831536453 (1.78017% change) linmin: converged after 3 iterations. - iteration 58: trace = 0.0007435387853656353 (3.21453% change) + iteration 58: trace = 0.0007435387853736877 (3.21453% change) linmin: converged after 4 iterations. - iteration 59: trace = 0.0007315946497581579 (1.6194% change) + iteration 59: trace = 0.000731594649767336 (1.6194% change) linmin: converged after 4 iterations. - iteration 60: trace = 0.0007266202507324377 (0.682259% change) + iteration 60: trace = 0.0007266202507413517 (0.682259% change) linmin: converged after 4 iterations. - iteration 61: trace = 0.0007191451122354838 (1.03407% change) + iteration 61: trace = 0.0007191451122429648 (1.03407% change) linmin: converged after 4 iterations. - iteration 62: trace = 0.0007044525977504645 (2.06414% change) + iteration 62: trace = 0.0007044525977544306 (2.06414% change) linmin: converged after 4 iterations. - iteration 63: trace = 0.0006952825340002982 (1.31026% change) + iteration 63: trace = 0.0006952825340017957 (1.31026% change) linmin: converged after 4 iterations. - iteration 64: trace = 0.0006926243539879241 (0.383049% change) + iteration 64: trace = 0.0006926243539889768 (0.383049% change) linmin: converged after 4 iterations. - iteration 65: trace = 0.0006907570462254813 (0.269963% change) + iteration 65: trace = 0.0006907570462269423 (0.269963% change) large trace change predicted (0.737695%) linmin: converged after 4 iterations. - iteration 66: trace = 0.0006856288673857626 (0.745166% change) + iteration 66: trace = 0.0006856288673890201 (0.745166% change) large trace change predicted (1.50311%) linmin: converged after 4 iterations. - iteration 67: trace = 0.0006751905099784166 (1.53413% change) + iteration 67: trace = 0.0006751905099812602 (1.53413% change) linmin: converged after 4 iterations. - iteration 68: trace = 0.0006690887107596064 (0.907817% change) + iteration 68: trace = 0.0006690887107596441 (0.907817% change) linmin: converged after 4 iterations. - iteration 69: trace = 0.0006666308441649182 (0.368021% change) + iteration 69: trace = 0.0006666308441643413 (0.368021% change) resetting CG direction... linmin: converged after 3 iterations. - iteration 70: trace = 0.000665894766388288 (0.110479% change) + iteration 70: trace = 0.0006658947663877523 (0.110479% change) large trace change predicted (0.583051%) linmin: converged after 3 iterations. - iteration 71: trace = 0.0006620147964764045 (0.584373% change) + iteration 71: trace = 0.0006620147964759419 (0.584373% change) linmin: converged after 3 iterations. - iteration 72: trace = 0.0006593874374268467 (0.397662% change) + iteration 72: trace = 0.0006593874374261565 (0.397662% change) large trace change predicted (1.97433%) linmin: converged after 3 iterations. - iteration 73: trace = 0.0006463944470279967 (1.99007% change) + iteration 73: trace = 0.0006463944470281733 (1.99007% change) linmin: converged after 3 iterations. - iteration 74: trace = 0.0006439167969047001 (0.384039% change) + iteration 74: trace = 0.0006439167969050647 (0.384039% change) large trace change predicted (3.60299%) linmin: converged after 3 iterations. - iteration 75: trace = 0.0006208046970247754 (3.65489% change) + iteration 75: trace = 0.0006208046970267538 (3.65489% change) linmin: converged after 4 iterations. - iteration 76: trace = 0.0006051224312603996 (2.55843% change) + iteration 76: trace = 0.0006051224312609199 (2.55843% change) linmin: converged after 2 iterations. - iteration 77: trace = 0.0006040729522161915 (0.173583% change) + iteration 77: trace = 0.0006040729522164058 (0.173583% change) linmin: converged after 3 iterations. - iteration 78: trace = 0.0006035815759967994 (0.081377% change) + iteration 78: trace = 0.0006035815759961156 (0.081377% change) large trace change predicted (0.878809%) linmin: converged after 3 iterations. - iteration 79: trace = 0.0005982971756216459 (0.879357% change) + iteration 79: trace = 0.0005982971756234991 (0.879357% change) linmin: converged after 3 iterations. - iteration 80: trace = 0.0005936478812236439 (0.780119% change) + iteration 80: trace = 0.000593647881223189 (0.780119% change) linmin: converged after 3 iterations. - iteration 81: trace = 0.0005932851237795748 (0.0611252% change) + iteration 81: trace = 0.0005932851237799742 (0.0611252% change) large trace change predicted (0.129434%) linmin: converged after 3 iterations. - iteration 82: trace = 0.0005925186070021892 (0.129282% change) + iteration 82: trace = 0.000592518607001844 (0.129282% change) linmin: converged after 3 iterations. - iteration 83: trace = 0.0005919600556577167 (0.0943118% change) + iteration 83: trace = 0.0005919600556578774 (0.0943118% change) large trace change predicted (0.482135%) linmin: converged after 3 iterations. - iteration 84: trace = 0.0005891395700540513 (0.477603% change) + iteration 84: trace = 0.0005891395700538772 (0.477603% change) linmin: converged after 3 iterations. - iteration 85: trace = 0.0005890401124208378 (0.0168833% change) + iteration 85: trace = 0.0005890401124208142 (0.0168833% change) large trace change predicted (0.0998023%) linmin: converged after 3 iterations. - iteration 86: trace = 0.0005884530666234435 (0.0997111% change) + iteration 86: trace = 0.0005884530666241407 (0.0997111% change) linmin: converged after 3 iterations. - iteration 87: trace = 0.0005882459274655951 (0.0352068% change) + iteration 87: trace = 0.0005882459274655243 (0.0352068% change) large trace change predicted (0.114927%) linmin: converged after 4 iterations. - iteration 88: trace = 0.000587569365086292 (0.11508% change) + iteration 88: trace = 0.000587569365086246 (0.11508% change) linmin: converged after 2 iterations. - iteration 89: trace = 0.0005875433052722463 (0.00443529% change) + iteration 89: trace = 0.0005875433052722403 (0.00443529% change) large trace change predicted (0.146911%) linmin: converged after 4 iterations. - iteration 90: trace = 0.000586677312479834 (0.147501% change) + iteration 90: trace = 0.0005866773124828409 (0.147501% change) linmin: converged after 4 iterations. - iteration 91: trace = 0.0005863762211877365 (0.0513346% change) + iteration 91: trace = 0.0005863762211877185 (0.0513346% change) linmin: converged after 4 iterations. - iteration 92: trace = 0.0005859485425554373 (0.0729625% change) + iteration 92: trace = 0.0005859485425553004 (0.0729625% change) linmin: converged after 2 iterations. - iteration 93: trace = 0.0005859110908195298 (0.00639185% change) + iteration 93: trace = 0.0005859110908195073 (0.00639185% change) large trace change predicted (0.101499%) linmin: converged after 3 iterations. - iteration 94: trace = 0.0005853164619594189 (0.101539% change) + iteration 94: trace = 0.0005853164619595278 (0.101539% change) linmin: converged after 2 iterations. - iteration 95: trace = 0.0005852989941774052 (0.00298438% change) + iteration 95: trace = 0.0005852989941774476 (0.00298438% change) large trace change predicted (0.116394%) linmin: converged after 2 iterations. - iteration 96: trace = 0.0005846175651494939 (0.116492% change) + iteration 96: trace = 0.0005846175651491605 (0.116492% change) linmin: converged after 2 iterations. - iteration 97: trace = 0.0005845742989223471 (0.00740105% change) + iteration 97: trace = 0.0005845742989222952 (0.00740105% change) large trace change predicted (0.0708106%) linmin: converged after 3 iterations. - iteration 98: trace = 0.0005841585976180495 (0.0711371% change) + iteration 98: trace = 0.0005841585976178954 (0.0711371% change) linmin: converged after 2 iterations. - iteration 99: trace = 0.0005841389166808024 (0.00336917% change) + iteration 99: trace = 0.0005841389166806495 (0.00336917% change) large trace change predicted (0.0329036%) linmin: converged after 2 iterations. - iteration 100: trace = 0.0005839462671582482 (0.0329855% change) + iteration 100: trace = 0.0005839462671581987 (0.0329855% change) linmin: converged after 2 iterations. - iteration 101: trace = 0.0005839312924220045 (0.00256444% change) + iteration 101: trace = 0.0005839312924219864 (0.00256444% change) large trace change predicted (0.020159%) linmin: converged after 2 iterations. - iteration 102: trace = 0.0005838134979407572 (0.0201747% change) + iteration 102: trace = 0.0005838134979406952 (0.0201747% change) linmin: converged after 2 iterations. - iteration 103: trace = 0.0005837926977464793 (0.00356288% change) + iteration 103: trace = 0.0005837926977464612 (0.00356288% change) large trace change predicted (0.0112663%) linmin: converged after 3 iterations. - iteration 104: trace = 0.000583726932305375 (0.0112658% change) + iteration 104: trace = 0.000583726932305367 (0.0112658% change) linmin: converged after 2 iterations. - iteration 105: trace = 0.0005837235328225389 (0.000582377% change) + iteration 105: trace = 0.0005837235328225391 (0.000582377% change) large trace change predicted (0.0172364%) linmin: converged after 3 iterations. - iteration 106: trace = 0.0005836230367732215 (0.0172179% change) + iteration 106: trace = 0.0005836230367732084 (0.0172179% change) linmin: converged after 2 iterations. - iteration 107: trace = 0.0005836125833710618 (0.00179114% change) + iteration 107: trace = 0.0005836125833709771 (0.00179114% change) large trace change predicted (0.0105648%) linmin: converged after 3 iterations. - iteration 108: trace = 0.0005835509463284342 (0.0105619% change) + iteration 108: trace = 0.0005835509463284385 (0.0105619% change) linmin: converged after 2 iterations. - iteration 109: trace = 0.000583548943557194 (0.000343205% change) + iteration 109: trace = 0.0005835489435572247 (0.000343205% change) large trace change predicted (0.0100451%) linmin: converged after 2 iterations. - iteration 110: trace = 0.0005834902830011508 (0.0100529% change) + iteration 110: trace = 0.0005834902830011185 (0.0100529% change) linmin: converged after 2 iterations. - iteration 111: trace = 0.0005834861943973631 (0.000700717% change) + iteration 111: trace = 0.0005834861943974092 (0.000700717% change) large trace change predicted (0.00228227%) linmin: converged after 2 iterations. - iteration 112: trace = 0.0005834728751719849 (0.00228272% change) + iteration 112: trace = 0.0005834728751719814 (0.00228272% change) linmin: converged after 2 iterations. - iteration 113: trace = 0.0005834693550789713 (0.000603302% change) + iteration 113: trace = 0.0005834693550791468 (0.000603302% change) large trace change predicted (0.00250098%) linmin: converged after 2 iterations. - iteration 114: trace = 0.0005834547623777847 (0.00250105% change) + iteration 114: trace = 0.0005834547623777843 (0.00250105% change) linmin: converged after 2 iterations. - iteration 115: trace = 0.0005834540404858172 (0.000123727% change) + iteration 115: trace = 0.0005834540404858522 (0.000123727% change) large trace change predicted (0.000981181%) linmin: converged after 2 iterations. - iteration 116: trace = 0.0005834483159081694 (0.000981158% change) + iteration 116: trace = 0.0005834483159081685 (0.000981158% change) linmin: converged after 2 iterations. - iteration 117: trace = 0.0005834430901088519 (0.000895679% change) + iteration 117: trace = 0.0005834430901089617 (0.000895679% change) linmin: converged after 2 iterations. - iteration 118: trace = 0.000583441446165329 (0.000281766% change) + iteration 118: trace = 0.000583441446165331 (0.000281766% change) linmin: converged after 2 iterations. - iteration 119: trace = 0.0005834400433656973 (0.000240436% change) + iteration 119: trace = 0.0005834400433658235 (0.000240436% change) large trace change predicted (0.00122504%) linmin: converged after 2 iterations. - iteration 120: trace = 0.0005834328958088951 (0.00122508% change) + iteration 120: trace = 0.0005834328958088984 (0.00122508% change) linmin: converged after 2 iterations. - iteration 121: trace = 0.0005834306998253411 (0.000376391% change) + iteration 121: trace = 0.0005834306998253827 (0.000376391% change) linmin: converged after 2 iterations. - iteration 122: trace = 0.000583430230064665 (8.0517e-05% change) + iteration 122: trace = 0.0005834302300646651 (8.0517e-05% change) large trace change predicted (0.000409962%) linmin: converged after 2 iterations. - iteration 123: trace = 0.0005834278383109291 (0.000409948% change) + iteration 123: trace = 0.0005834278383110733 (0.000409948% change) linmin: converged after 2 iterations. - iteration 124: trace = 0.0005834254794106187 (0.000404318% change) + iteration 124: trace = 0.0005834254794106231 (0.000404318% change) linmin: converged after 2 iterations. - iteration 125: trace = 0.0005834241979465319 (0.000219645% change) + iteration 125: trace = 0.0005834241979465848 (0.000219645% change) linmin: converged after 2 iterations. - iteration 126: trace = 0.0005834239135666888 (4.87432e-05% change) + iteration 126: trace = 0.0005834239135666898 (4.87433e-05% change) linmin: converged after 2 iterations. - iteration 127: trace = 0.0005834235029711146 (7.03769e-05% change) + iteration 127: trace = 0.0005834235029711476 (7.03769e-05% change) linmin: converged after 2 iterations. - iteration 128: trace = 0.0005834229492303538 (9.49124e-05% change) + iteration 128: trace = 0.0005834229492303545 (9.49124e-05% change) linmin: converged after 2 iterations. - iteration 129: trace = 0.0005834227993077964 (2.56971e-05% change) + iteration 129: trace = 0.0005834227993078005 (2.56971e-05% change) linmin: converged after 2 iterations. - iteration 130: trace = 0.00058342276849174 (5.28194e-06% change) + iteration 130: trace = 0.0005834227684917433 (5.28194e-06% change) large trace change predicted (3.57128e-05%) linmin: converged after 2 iterations. - iteration 131: trace = 0.0005834225601355878 (3.57127e-05% change) + iteration 131: trace = 0.0005834225601355913 (3.57127e-05% change) linmin: converged after 2 iterations. - iteration 132: trace = 0.0005834225295461926 (5.24309e-06% change) + iteration 132: trace = 0.0005834225295461943 (5.24309e-06% change) large trace change predicted (2.86351e-05%) linmin: converged after 2 iterations. - iteration 133: trace = 0.0005834223624832906 (2.8635e-05% change) + iteration 133: trace = 0.0005834223624832958 (2.8635e-05% change) linmin: converged after 2 iterations. - iteration 134: trace = 0.000583422346445021 (2.749e-06% change) + iteration 134: trace = 0.0005834223464450235 (2.749e-06% change) large trace change predicted (2.51074e-05%) linmin: converged after 2 iterations. - iteration 135: trace = 0.0005834221999629322 (2.51074e-05% change) + iteration 135: trace = 0.0005834221999629352 (2.51074e-05% change) linmin: converged after 2 iterations. - iteration 136: trace = 0.0005834221953899253 (7.83825e-07% change) + iteration 136: trace = 0.0005834221953899264 (7.83825e-07% change) Finished solving for bands 1 to 1 after 136 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.31282 -elapsed time for k point: 1.9376351833343506 -total elapsed time for run: 1.9601328372955322 +elapsed time for k point: 4.374344110488892 +total elapsed time for run: 4.419824600219727 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -70884,7 +67074,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.02224445343017578 +elapsed time for initialization: 0.049356937408447266 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -70892,324 +67082,324 @@ linmin: converged after 7 iterations. iteration 1: trace = 0.01396271777790268 (199.998% change) linmin: converged after 7 iterations. - iteration 2: trace = 0.01327684378988518 (5.03587% change) + iteration 2: trace = 0.01327684378988528 (5.03587% change) linmin: converged after 5 iterations. - iteration 3: trace = 0.01313325505801615 (1.08738% change) + iteration 3: trace = 0.01313325505801728 (1.08738% change) near maximum in trace linmin: converged after 6 iterations. - iteration 4: trace = 0.01143107373108108 (13.859% change) + iteration 4: trace = 0.0114310737308697 (13.859% change) linmin: converged after 8 iterations. - iteration 5: trace = 0.01057169177208894 (7.81158% change) + iteration 5: trace = 0.01057169177200982 (7.81158% change) linmin: converged after 6 iterations. - iteration 6: trace = 0.01011490408591372 (4.41627% change) + iteration 6: trace = 0.01011490408593921 (4.41627% change) linmin: converged after 6 iterations. - iteration 7: trace = 0.009876993404015133 (2.38007% change) + iteration 7: trace = 0.009876993404126304 (2.38007% change) linmin: converged after 8 iterations. - iteration 8: trace = 0.008846068607896451 (11.0124% change) + iteration 8: trace = 0.008846068608163036 (11.0124% change) linmin: converged after 6 iterations. - iteration 9: trace = 0.008517042221037384 (3.78995% change) + iteration 9: trace = 0.008517042221165283 (3.78995% change) linmin: converged after 5 iterations. - iteration 10: trace = 0.008326268739036802 (2.26527% change) + iteration 10: trace = 0.008326268739311454 (2.26527% change) large trace change predicted (6.09955%) linmin: converged after 8 iterations. - iteration 11: trace = 0.00707491536331146 (16.2501% change) + iteration 11: trace = 0.007074915363770582 (16.2501% change) linmin: converged after 5 iterations. - iteration 12: trace = 0.006842447679345932 (3.34069% change) + iteration 12: trace = 0.006842447679694962 (3.34069% change) linmin: converged after 5 iterations. - iteration 13: trace = 0.006644462857291975 (2.93596% change) + iteration 13: trace = 0.006644462857671457 (2.93596% change) linmin: converged after 8 iterations. - iteration 14: trace = 0.005865808909859432 (12.4482% change) + iteration 14: trace = 0.005865808909895473 (12.4482% change) linmin: converged after 5 iterations. - iteration 15: trace = 0.005690964406135154 (3.02584% change) + iteration 15: trace = 0.005690964406057297 (3.02584% change) linmin: converged after 5 iterations. - iteration 16: trace = 0.005359509169257815 (5.99893% change) + iteration 16: trace = 0.005359509169274026 (5.99893% change) linmin: converged after 6 iterations. - iteration 17: trace = 0.004560608209853334 (16.1067% change) + iteration 17: trace = 0.004560608210045908 (16.1067% change) linmin: converged after 4 iterations. - iteration 18: trace = 0.004423220918100116 (3.05855% change) + iteration 18: trace = 0.004423220918380629 (3.05855% change) linmin: converged after 3 iterations. - iteration 19: trace = 0.004368098767370809 (1.25401% change) + iteration 19: trace = 0.004368098767612032 (1.25401% change) large trace change predicted (8.81704%) linmin: converged after 6 iterations. - iteration 20: trace = 0.003725892430871452 (15.8687% change) + iteration 20: trace = 0.003725892430727341 (15.8687% change) linmin: converged after 6 iterations. - iteration 21: trace = 0.003276517527282185 (12.8349% change) + iteration 21: trace = 0.003276517527286905 (12.8349% change) linmin: converged after 3 iterations. - iteration 22: trace = 0.003217890899178432 (1.80545% change) + iteration 22: trace = 0.003217890899224521 (1.80545% change) linmin: converged after 5 iterations. - iteration 23: trace = 0.003089917728431033 (4.05761% change) + iteration 23: trace = 0.00308991772837575 (4.05761% change) linmin: converged after 6 iterations. - iteration 24: trace = 0.002789089266631641 (10.234% change) + iteration 24: trace = 0.002789089266665605 (10.234% change) linmin: converged after 4 iterations. - iteration 25: trace = 0.002710905815890919 (2.84304% change) + iteration 25: trace = 0.002710905816025316 (2.84304% change) linmin: converged after 3 iterations. - iteration 26: trace = 0.002674218652981606 (1.36254% change) + iteration 26: trace = 0.002674218653085053 (1.36254% change) large trace change predicted (6.80505%) linmin: converged after 5 iterations. - iteration 27: trace = 0.002438971014462638 (9.2016% change) + iteration 27: trace = 0.00243897101418743 (9.2016% change) linmin: converged after 6 iterations. - iteration 28: trace = 0.002034189826864542 (18.0982% change) + iteration 28: trace = 0.002034189826680963 (18.0982% change) linmin: converged after 4 iterations. - iteration 29: trace = 0.001933181583146438 (5.09195% change) + iteration 29: trace = 0.00193318158311731 (5.09195% change) linmin: converged after 3 iterations. - iteration 30: trace = 0.001907998976159604 (1.31119% change) + iteration 30: trace = 0.001907998976137667 (1.31119% change) large trace change predicted (3.49571%) linmin: converged after 4 iterations. - iteration 31: trace = 0.001834919993063269 (3.90492% change) + iteration 31: trace = 0.001834919992973156 (3.90492% change) linmin: converged after 5 iterations. - iteration 32: trace = 0.001694173476510432 (7.97636% change) + iteration 32: trace = 0.001694173476481009 (7.97636% change) linmin: converged after 3 iterations. - iteration 33: trace = 0.001646416286560637 (2.85921% change) + iteration 33: trace = 0.001646416286594126 (2.85921% change) linmin: converged after 3 iterations. - iteration 34: trace = 0.001622123538393179 (1.48646% change) + iteration 34: trace = 0.001622123538409911 (1.48646% change) large trace change predicted (5.19533%) linmin: converged after 4 iterations. - iteration 35: trace = 0.001527366074325336 (6.01732% change) + iteration 35: trace = 0.001527366074187846 (6.01732% change) linmin: converged after 5 iterations. - iteration 36: trace = 0.00133171788420354 (13.6861% change) + iteration 36: trace = 0.001331717884078498 (13.6861% change) linmin: converged after 4 iterations. - iteration 37: trace = 0.001255606316228162 (5.88342% change) + iteration 37: trace = 0.001255606316206344 (5.88342% change) linmin: converged after 3 iterations. - iteration 38: trace = 0.001232184805823635 (1.88292% change) + iteration 38: trace = 0.001232184805808864 (1.88292% change) linmin: converged after 3 iterations. - iteration 39: trace = 0.001191709709386529 (3.33967% change) + iteration 39: trace = 0.001191709709326486 (3.33967% change) linmin: converged after 4 iterations. - iteration 40: trace = 0.001116235433399129 (6.54039% change) + iteration 40: trace = 0.001116235433343584 (6.54039% change) linmin: converged after 3 iterations. - iteration 41: trace = 0.001082435949647599 (3.07454% change) + iteration 41: trace = 0.001082435949637508 (3.07454% change) linmin: converged after 4 iterations. - iteration 42: trace = 0.001071218450371559 (1.04172% change) + iteration 42: trace = 0.001071218450367125 (1.04172% change) linmin: converged after 3 iterations. - iteration 43: trace = 0.001050833573711885 (1.92124% change) + iteration 43: trace = 0.0010508335736839 (1.92124% change) large trace change predicted (5.53279%) linmin: converged after 4 iterations. - iteration 44: trace = 0.0009876540752187157 (6.19866% change) + iteration 44: trace = 0.0009876540751538392 (6.19866% change) linmin: converged after 4 iterations. - iteration 45: trace = 0.0009353335329191517 (5.44159% change) + iteration 45: trace = 0.0009353335328938907 (5.44159% change) linmin: converged after 3 iterations. - iteration 46: trace = 0.0009190905772535928 (1.75181% change) + iteration 46: trace = 0.0009190905772437036 (1.75181% change) linmin: converged after 4 iterations. - iteration 47: trace = 0.0009058436032386659 (1.45178% change) + iteration 47: trace = 0.000905843603222431 (1.45178% change) large trace change predicted (4.00783%) linmin: converged after 3 iterations. - iteration 48: trace = 0.0008679705371639546 (4.27024% change) + iteration 48: trace = 0.0008679705371183844 (4.27024% change) linmin: converged after 3 iterations. - iteration 49: trace = 0.0008163908944991696 (6.12453% change) + iteration 49: trace = 0.0008163908944664722 (6.12453% change) linmin: converged after 4 iterations. - iteration 50: trace = 0.0007981010810829556 (2.26571% change) + iteration 50: trace = 0.0007981010810677078 (2.26571% change) linmin: converged after 4 iterations. - iteration 51: trace = 0.0007920809420285585 (0.757164% change) + iteration 51: trace = 0.0007920809420144406 (0.757164% change) linmin: converged after 4 iterations. - iteration 52: trace = 0.0007831096983349729 (1.13907% change) + iteration 52: trace = 0.0007831096983125679 (1.13907% change) large trace change predicted (2.68696%) linmin: converged after 3 iterations. - iteration 53: trace = 0.0007615285021586937 (2.79434% change) + iteration 53: trace = 0.0007615285021321849 (2.79434% change) linmin: converged after 4 iterations. - iteration 54: trace = 0.0007452609270992502 (2.15924% change) + iteration 54: trace = 0.0007452609270916269 (2.15924% change) linmin: converged after 4 iterations. - iteration 55: trace = 0.0007399621295006832 (0.713536% change) + iteration 55: trace = 0.0007399621294992785 (0.713536% change) linmin: converged after 4 iterations. - iteration 56: trace = 0.0007354451060474361 (0.612309% change) + iteration 56: trace = 0.0007354451060435879 (0.612309% change) large trace change predicted (1.82266%) linmin: converged after 4 iterations. - iteration 57: trace = 0.0007218268493318061 (1.86901% change) + iteration 57: trace = 0.0007218268493139755 (1.86901% change) linmin: converged after 3 iterations. - iteration 58: trace = 0.0006978564989097587 (3.37686% change) + iteration 58: trace = 0.0006978564988941883 (3.37686% change) linmin: converged after 4 iterations. - iteration 59: trace = 0.0006862159288520401 (1.68208% change) + iteration 59: trace = 0.0006862159288480387 (1.68208% change) linmin: converged after 4 iterations. - iteration 60: trace = 0.0006814087151919372 (0.703002% change) + iteration 60: trace = 0.0006814087151884058 (0.703002% change) linmin: converged after 4 iterations. - iteration 61: trace = 0.0006741507190451401 (1.07085% change) + iteration 61: trace = 0.0006741507190331585 (1.07085% change) linmin: converged after 4 iterations. - iteration 62: trace = 0.0006599995940020362 (2.12137% change) + iteration 62: trace = 0.0006599995939844149 (2.12137% change) linmin: converged after 4 iterations. - iteration 63: trace = 0.0006513439268160724 (1.32012% change) + iteration 63: trace = 0.0006513439268069289 (1.32012% change) linmin: converged after 4 iterations. - iteration 64: trace = 0.0006488237794276031 (0.387665% change) + iteration 64: trace = 0.0006488237794213274 (0.387665% change) linmin: converged after 4 iterations. - iteration 65: trace = 0.0006469461201572879 (0.289814% change) + iteration 65: trace = 0.0006469461201506114 (0.289814% change) large trace change predicted (0.810595%) linmin: converged after 4 iterations. - iteration 66: trace = 0.0006416681505362096 (0.81917% change) + iteration 66: trace = 0.0006416681505253159 (0.81917% change) linmin: converged after 4 iterations. - iteration 67: trace = 0.0006315484776349438 (1.58962% change) + iteration 67: trace = 0.0006315484776235052 (1.58962% change) linmin: converged after 4 iterations. - iteration 68: trace = 0.0006260136834575379 (0.880242% change) + iteration 68: trace = 0.0006260136834500561 (0.880242% change) linmin: converged after 4 iterations. - iteration 69: trace = 0.0006237063576020632 (0.369255% change) + iteration 69: trace = 0.0006237063575952774 (0.369255% change) resetting CG direction... linmin: converged after 3 iterations. - iteration 70: trace = 0.0006229823627049681 (0.116147% change) + iteration 70: trace = 0.000622982362698102 (0.116147% change) large trace change predicted (0.609708%) linmin: converged after 3 iterations. - iteration 71: trace = 0.0006191863133713059 (0.611197% change) + iteration 71: trace = 0.000619186313364607 (0.611197% change) large trace change predicted (1.7554%) linmin: converged after 3 iterations. - iteration 72: trace = 0.0006083344730560348 (1.76809% change) + iteration 72: trace = 0.0006083344730932953 (1.76809% change) linmin: converged after 3 iterations. - iteration 73: trace = 0.0006039819543703536 (0.71805% change) + iteration 73: trace = 0.0006039819543710813 (0.71805% change) linmin: converged after 3 iterations. - iteration 74: trace = 0.0005953481798126799 (1.43977% change) + iteration 74: trace = 0.0005953481801432047 (1.43977% change) linmin: converged after 3 iterations. - iteration 75: trace = 0.0005790998596931895 (2.76697% change) + iteration 75: trace = 0.0005790998597027652 (2.76697% change) linmin: converged after 4 iterations. - iteration 76: trace = 0.0005636615393384122 (2.70193% change) + iteration 76: trace = 0.0005636615393463743 (2.70193% change) linmin: converged after 2 iterations. - iteration 77: trace = 0.0005632767884742088 (0.0682825% change) + iteration 77: trace = 0.0005632767884744027 (0.0682825% change) large trace change predicted (0.15294%) linmin: converged after 3 iterations. - iteration 78: trace = 0.0005624159234211975 (0.152948% change) + iteration 78: trace = 0.0005624159234418684 (0.152948% change) large trace change predicted (0.911925%) linmin: converged after 3 iterations. - iteration 79: trace = 0.0005573063060419916 (0.912658% change) + iteration 79: trace = 0.0005573063060502308 (0.912658% change) linmin: converged after 3 iterations. - iteration 80: trace = 0.0005534008786441685 (0.703233% change) + iteration 80: trace = 0.0005534008786522688 (0.703233% change) linmin: converged after 3 iterations. - iteration 81: trace = 0.0005527445946543162 (0.118661% change) + iteration 81: trace = 0.0005527445946543649 (0.118661% change) linmin: converged after 3 iterations. - iteration 82: trace = 0.0005523222163979377 (0.0764439% change) + iteration 82: trace = 0.0005523222163977794 (0.0764439% change) linmin: converged after 3 iterations. - iteration 83: trace = 0.0005515161191542267 (0.146053% change) + iteration 83: trace = 0.0005515161191544412 (0.146053% change) large trace change predicted (0.456202%) linmin: converged after 3 iterations. - iteration 84: trace = 0.0005490276985936896 (0.452217% change) + iteration 84: trace = 0.0005490276985994832 (0.452217% change) linmin: converged after 3 iterations. - iteration 85: trace = 0.0005486976231178065 (0.0601381% change) + iteration 85: trace = 0.0005486976231184597 (0.0601381% change) linmin: converged after 3 iterations. - iteration 86: trace = 0.000548547139690023 (0.0274293% change) + iteration 86: trace = 0.0005485471396890583 (0.0274293% change) large trace change predicted (0.104834%) linmin: converged after 3 iterations. - iteration 87: trace = 0.0005479727715169625 (0.104762% change) + iteration 87: trace = 0.0005479727715172771 (0.104762% change) linmin: converged after 2 iterations. - iteration 88: trace = 0.0005475046960250568 (0.085456% change) + iteration 88: trace = 0.0005475046960302266 (0.085456% change) linmin: converged after 2 iterations. - iteration 89: trace = 0.0005473526468642252 (0.0277752% change) + iteration 89: trace = 0.0005473526468642161 (0.0277752% change) linmin: converged after 2 iterations. - iteration 90: trace = 0.0005472800290374552 (0.013268% change) + iteration 90: trace = 0.00054728002903556 (0.013268% change) large trace change predicted (0.180543%) linmin: converged after 4 iterations. - iteration 91: trace = 0.0005462881158373021 (0.181409% change) + iteration 91: trace = 0.0005462881158370557 (0.181409% change) linmin: converged after 2 iterations. - iteration 92: trace = 0.0005461207310099491 (0.0306451% change) + iteration 92: trace = 0.0005461207310181135 (0.0306451% change) linmin: converged after 2 iterations. - iteration 93: trace = 0.000545850569790862 (0.0494814% change) + iteration 93: trace = 0.0005458505697906501 (0.0494814% change) linmin: converged after 2 iterations. - iteration 94: trace = 0.0005457798750599606 (0.0129521% change) + iteration 94: trace = 0.0005457798750565977 (0.0129521% change) large trace change predicted (0.0900923%) linmin: converged after 3 iterations. - iteration 95: trace = 0.0005452882561277402 (0.090117% change) + iteration 95: trace = 0.0005452882561276674 (0.090117% change) linmin: converged after 2 iterations. - iteration 96: trace = 0.0005451436125004581 (0.0265296% change) + iteration 96: trace = 0.0005451436125144657 (0.0265296% change) large trace change predicted (0.0932169%) linmin: converged after 2 iterations. - iteration 97: trace = 0.000544635377254499 (0.0932731% change) + iteration 97: trace = 0.000544635377254154 (0.0932731% change) linmin: converged after 2 iterations. - iteration 98: trace = 0.0005446247544131938 (0.00195047% change) + iteration 98: trace = 0.0005446247544128046 (0.00195047% change) large trace change predicted (0.0828773%) linmin: converged after 3 iterations. - iteration 99: trace = 0.0005441711389165505 (0.0833242% change) + iteration 99: trace = 0.0005441711389171624 (0.0833242% change) linmin: converged after 2 iterations. - iteration 100: trace = 0.0005441562712526624 (0.0027322% change) + iteration 100: trace = 0.0005441562712541294 (0.0027322% change) large trace change predicted (0.0234901%) linmin: converged after 2 iterations. - iteration 101: trace = 0.0005440282539108269 (0.0235286% change) + iteration 101: trace = 0.0005440282539105394 (0.0235286% change) linmin: converged after 2 iterations. - iteration 102: trace = 0.0005440227592215187 (0.00101001% change) + iteration 102: trace = 0.0005440227592213788 (0.00101001% change) large trace change predicted (0.0204397%) linmin: converged after 2 iterations. - iteration 103: trace = 0.000543911490776917 (0.020455% change) + iteration 103: trace = 0.0005439114907770141 (0.020455% change) linmin: converged after 2 iterations. - iteration 104: trace = 0.0005439052442093183 (0.00114846% change) + iteration 104: trace = 0.0005439052442100647 (0.00114846% change) large trace change predicted (0.0118837%) linmin: converged after 3 iterations. - iteration 105: trace = 0.0005438406201691981 (0.0118822% change) + iteration 105: trace = 0.0005438406201691164 (0.0118822% change) linmin: converged after 2 iterations. - iteration 106: trace = 0.0005438370058018202 (0.000664603% change) + iteration 106: trace = 0.000543837005801703 (0.000664603% change) large trace change predicted (0.0154666%) linmin: converged after 3 iterations. - iteration 107: trace = 0.0005437529695585424 (0.0154537% change) + iteration 107: trace = 0.00054375296955855 (0.0154537% change) linmin: converged after 2 iterations. - iteration 108: trace = 0.0005437511838183545 (0.000328411% change) + iteration 108: trace = 0.0005437511838184973 (0.000328411% change) large trace change predicted (0.0115138%) linmin: converged after 3 iterations. - iteration 109: trace = 0.0005436886018597631 (0.01151% change) + iteration 109: trace = 0.0005436886018592874 (0.01151% change) linmin: converged after 2 iterations. - iteration 110: trace = 0.0005436852056603425 (0.000624661% change) + iteration 110: trace = 0.0005436852056603181 (0.000624661% change) large trace change predicted (0.00985811%) linmin: converged after 2 iterations. - iteration 111: trace = 0.000543631575192658 (0.00986474% change) + iteration 111: trace = 0.0005436315751932743 (0.00986474% change) linmin: converged after 2 iterations. - iteration 112: trace = 0.0005436284957862889 (0.000566453% change) + iteration 112: trace = 0.0005436284957862489 (0.000566453% change) large trace change predicted (0.0021314%) linmin: converged after 2 iterations. - iteration 113: trace = 0.0005436169070743091 (0.00213176% change) + iteration 113: trace = 0.0005436169070741383 (0.00213176% change) linmin: converged after 2 iterations. - iteration 114: trace = 0.0005436159200036327 (0.000181575% change) + iteration 114: trace = 0.0005436159200036246 (0.000181575% change) large trace change predicted (0.00286192%) linmin: converged after 2 iterations. - iteration 115: trace = 0.0005436003612565019 (0.00286213% change) + iteration 115: trace = 0.0005436003612569011 (0.00286213% change) linmin: converged after 2 iterations. - iteration 116: trace = 0.0005435990227288805 (0.000246234% change) + iteration 116: trace = 0.0005435990227288941 (0.000246234% change) large trace change predicted (0.000702071%) linmin: converged after 2 iterations. - iteration 117: trace = 0.0005435952063255064 (0.000702065% change) + iteration 117: trace = 0.0005435952063252014 (0.000702065% change) linmin: converged after 2 iterations. - iteration 118: trace = 0.0005435933071971904 (0.000349365% change) - large trace change predicted (0.000866677%) + iteration 118: trace = 0.000543593307197188 (0.000349365% change) + large trace change predicted (0.000866676%) linmin: converged after 2 iterations. - iteration 119: trace = 0.000543588596021889 (0.000866677% change) + iteration 119: trace = 0.0005435885960222154 (0.000866676% change) linmin: converged after 2 iterations. - iteration 120: trace = 0.000543587425668311 (0.000215302% change) + iteration 120: trace = 0.0005435874256683233 (0.000215302% change) large trace change predicted (0.00086939%) linmin: converged after 2 iterations. - iteration 121: trace = 0.0005435826997823042 (0.000869392% change) + iteration 121: trace = 0.000543582699781906 (0.000869392% change) linmin: converged after 2 iterations. - iteration 122: trace = 0.0005435806840891893 (0.000370817% change) + iteration 122: trace = 0.0005435806840891874 (0.000370817% change) linmin: converged after 2 iterations. - iteration 123: trace = 0.0005435794453871397 (0.000227878% change) + iteration 123: trace = 0.0005435794453873955 (0.000227878% change) linmin: converged after 2 iterations. - iteration 124: trace = 0.0005435780840457415 (0.000250441% change) + iteration 124: trace = 0.0005435780840457295 (0.000250441% change) linmin: converged after 2 iterations. - iteration 125: trace = 0.0005435754863204967 (0.000477895% change) + iteration 125: trace = 0.000543575486320234 (0.000477895% change) linmin: converged after 2 iterations. - iteration 126: trace = 0.0005435742829779346 (0.000221376% change) + iteration 126: trace = 0.0005435742829779317 (0.000221376% change) linmin: converged after 2 iterations. - iteration 127: trace = 0.0005435740401791636 (4.46671e-05% change) + iteration 127: trace = 0.0005435740401792553 (4.46671e-05% change) large trace change predicted (0.000217248%) linmin: converged after 2 iterations. - iteration 128: trace = 0.0005435728593115377 (0.000217242% change) + iteration 128: trace = 0.00054357285931154 (0.000217242% change) linmin: converged after 2 iterations. - iteration 129: trace = 0.0005435727903467334 (1.26873e-05% change) + iteration 129: trace = 0.0005435727903467191 (1.26873e-05% change) large trace change predicted (0.000125585%) linmin: converged after 2 iterations. - iteration 130: trace = 0.0005435721077078836 (0.000125584% change) + iteration 130: trace = 0.000543572107707884 (0.000125584% change) linmin: converged after 2 iterations. - iteration 131: trace = 0.0005435720964946919 (2.06287e-06% change) + iteration 131: trace = 0.0005435720964946922 (2.06287e-06% change) large trace change predicted (1.96188e-05%) linmin: converged after 2 iterations. - iteration 132: trace = 0.0005435719898524396 (1.96188e-05% change) + iteration 132: trace = 0.0005435719898524418 (1.96188e-05% change) linmin: converged after 2 iterations. - iteration 133: trace = 0.0005435719753635353 (2.6655e-06% change) + iteration 133: trace = 0.0005435719753635306 (2.6655e-06% change) large trace change predicted (4.27192e-05%) linmin: converged after 2 iterations. - iteration 134: trace = 0.0005435717431546864 (4.27191e-05% change) + iteration 134: trace = 0.0005435717431546833 (4.27191e-05% change) linmin: converged after 2 iterations. - iteration 135: trace = 0.0005435717316753489 (2.11183e-06% change) + iteration 135: trace = 0.0005435717316753523 (2.11183e-06% change) large trace change predicted (2.06095e-05%) linmin: converged after 2 iterations. - iteration 136: trace = 0.0005435716196483994 (2.06094e-05% change) + iteration 136: trace = 0.0005435716196484009 (2.06094e-05% change) linmin: converged after 2 iterations. - iteration 137: trace = 0.0005435716102019987 (1.73784e-06% change) + iteration 137: trace = 0.0005435716102019974 (1.73784e-06% change) large trace change predicted (2.10141e-05%) linmin: converged after 2 iterations. - iteration 138: trace = 0.0005435714959753419 (2.10141e-05% change) + iteration 138: trace = 0.0005435714959753418 (2.10141e-05% change) linmin: converged after 2 iterations. - iteration 139: trace = 0.0005435714921653785 (7.00913e-07% change) + iteration 139: trace = 0.0005435714921653861 (7.00912e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159 -elapsed time for k point: 1.9615304470062256 -total elapsed time for run: 1.9838941097259521 +elapsed time for k point: 5.0023016929626465 +total elapsed time for run: 5.051800012588501 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -71289,342 +67479,342 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.021274089813232422 +elapsed time for initialization: 0.04149484634399414 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. - iteration 1: trace = 0.01396277298196031 (199.998% change) + iteration 1: trace = 0.01396277298196033 (199.998% change) linmin: converged after 7 iterations. - iteration 2: trace = 0.01327673301526952 (5.0371% change) + iteration 2: trace = 0.01327673301526951 (5.0371% change) linmin: converged after 5 iterations. - iteration 3: trace = 0.01313400658270512 (1.08082% change) + iteration 3: trace = 0.01313400658270432 (1.08082% change) near maximum in trace linmin: converged after 6 iterations. - iteration 4: trace = 0.01142972906089904 (13.8764% change) + iteration 4: trace = 0.01142972906104933 (13.8764% change) linmin: converged after 8 iterations. - iteration 5: trace = 0.01057309468687932 (7.78659% change) + iteration 5: trace = 0.01057309468693538 (7.78659% change) linmin: converged after 6 iterations. - iteration 6: trace = 0.01012016037562604 (4.3776% change) + iteration 6: trace = 0.0101201603756017 (4.3776% change) linmin: converged after 6 iterations. - iteration 7: trace = 0.00988189470015354 (2.38241% change) + iteration 7: trace = 0.009881894700053051 (2.38241% change) linmin: converged after 8 iterations. - iteration 8: trace = 0.008856077207293008 (10.9491% change) + iteration 8: trace = 0.00885607720705632 (10.9491% change) linmin: converged after 6 iterations. - iteration 9: trace = 0.008528897112091316 (3.76394% change) + iteration 9: trace = 0.008528897111972716 (3.76394% change) linmin: converged after 5 iterations. - iteration 10: trace = 0.008344493547064824 (2.18573% change) + iteration 10: trace = 0.008344493546845197 (2.18573% change) large trace change predicted (6.06381%) linmin: converged after 8 iterations. - iteration 11: trace = 0.007099225571348929 (16.1265% change) + iteration 11: trace = 0.007099225570948416 (16.1265% change) linmin: converged after 5 iterations. - iteration 12: trace = 0.006865992373916016 (3.3402% change) + iteration 12: trace = 0.006865992373597553 (3.3402% change) linmin: converged after 5 iterations. - iteration 13: trace = 0.006670707163359137 (2.88527% change) + iteration 13: trace = 0.006670707163035109 (2.88527% change) linmin: converged after 8 iterations. - iteration 14: trace = 0.005899156603844815 (12.2762% change) + iteration 14: trace = 0.005899156603813828 (12.2762% change) linmin: converged after 5 iterations. - iteration 15: trace = 0.005725769822090341 (2.98302% change) + iteration 15: trace = 0.005725769822149585 (2.98302% change) linmin: converged after 5 iterations. - iteration 16: trace = 0.005394233041198144 (5.96289% change) + iteration 16: trace = 0.005394233041190392 (5.96289% change) linmin: converged after 6 iterations. - iteration 17: trace = 0.004591812089426319 (16.0708% change) + iteration 17: trace = 0.004591812089242466 (16.0708% change) linmin: converged after 4 iterations. - iteration 18: trace = 0.004453132510518065 (3.06646% change) + iteration 18: trace = 0.004453132510259235 (3.06646% change) linmin: converged after 3 iterations. - iteration 19: trace = 0.00439844123983224 (1.23574% change) + iteration 19: trace = 0.004398441239604665 (1.23574% change) large trace change predicted (8.74475%) linmin: converged after 6 iterations. - iteration 20: trace = 0.003757498063057178 (15.7172% change) + iteration 20: trace = 0.003757498063109343 (15.7172% change) linmin: converged after 6 iterations. - iteration 21: trace = 0.00330704962497418 (12.7524% change) + iteration 21: trace = 0.003307049624936356 (12.7524% change) linmin: converged after 3 iterations. - iteration 22: trace = 0.003248169195365587 (1.79644% change) + iteration 22: trace = 0.003248169195299319 (1.79644% change) linmin: converged after 5 iterations. - iteration 23: trace = 0.003119780808145288 (4.03233% change) + iteration 23: trace = 0.003119780808133749 (4.03233% change) linmin: converged after 6 iterations. - iteration 24: trace = 0.002818482765282546 (10.1477% change) + iteration 24: trace = 0.002818482765215695 (10.1477% change) linmin: converged after 4 iterations. - iteration 25: trace = 0.002740289464262866 (2.81333% change) + iteration 25: trace = 0.002740289464141568 (2.81333% change) linmin: converged after 3 iterations. - iteration 26: trace = 0.002703514636492719 (1.35107% change) + iteration 26: trace = 0.002703514636392346 (1.35107% change) large trace change predicted (6.74778%) linmin: converged after 5 iterations. - iteration 27: trace = 0.002467359186283343 (9.13406% change) + iteration 27: trace = 0.002467359186413845 (9.13406% change) linmin: converged after 6 iterations. - iteration 28: trace = 0.002062259933119868 (17.8867% change) + iteration 28: trace = 0.002062259933219685 (17.8867% change) linmin: converged after 4 iterations. - iteration 29: trace = 0.001961187580392719 (5.02417% change) + iteration 29: trace = 0.001961187580404255 (5.02417% change) linmin: converged after 3 iterations. - iteration 30: trace = 0.001935785449801616 (1.30369% change) + iteration 30: trace = 0.001935785449801569 (1.30369% change) large trace change predicted (3.47972%) linmin: converged after 4 iterations. - iteration 31: trace = 0.001861930146339076 (3.88946% change) + iteration 31: trace = 0.001861930146355995 (3.88946% change) linmin: converged after 5 iterations. - iteration 32: trace = 0.001721746455463286 (7.82346% change) + iteration 32: trace = 0.001721746455485536 (7.82346% change) linmin: converged after 3 iterations. - iteration 33: trace = 0.001674547855835646 (2.77942% change) + iteration 33: trace = 0.001674547855851388 (2.77942% change) linmin: converged after 3 iterations. - iteration 34: trace = 0.001650063402957579 (1.47292% change) + iteration 34: trace = 0.001650063402980351 (1.47292% change) large trace change predicted (5.17495%) linmin: converged after 4 iterations. - iteration 35: trace = 0.001553854523947556 (6.0057% change) + iteration 35: trace = 0.001553854524022604 (6.0057% change) linmin: converged after 5 iterations. - iteration 36: trace = 0.001358699736245246 (13.4009% change) + iteration 36: trace = 0.001358699736366646 (13.4009% change) linmin: converged after 4 iterations. - iteration 37: trace = 0.001283533375593248 (5.68961% change) + iteration 37: trace = 0.001283533375703737 (5.68961% change) linmin: converged after 3 iterations. - iteration 38: trace = 0.001259889740991772 (1.8592% change) + iteration 38: trace = 0.001259889741089448 (1.8592% change) linmin: converged after 3 iterations. - iteration 39: trace = 0.001218118516413135 (3.37135% change) + iteration 39: trace = 0.001218118516480748 (3.37135% change) linmin: converged after 4 iterations. - iteration 40: trace = 0.001141570259086005 (6.488% change) + iteration 40: trace = 0.00114157025911394 (6.488% change) linmin: converged after 3 iterations. - iteration 41: trace = 0.001107914320236318 (2.99232% change) + iteration 41: trace = 0.001107914320254565 (2.99232% change) linmin: converged after 4 iterations. - iteration 42: trace = 0.001096696612114239 (1.01766% change) + iteration 42: trace = 0.001096696612133548 (1.01766% change) linmin: converged after 3 iterations. - iteration 43: trace = 0.001076085113472459 (1.89725% change) + iteration 43: trace = 0.001076085113502225 (1.89725% change) large trace change predicted (5.44733%) linmin: converged after 4 iterations. - iteration 44: trace = 0.001012315861074462 (6.10699% change) + iteration 44: trace = 0.001012315861114768 (6.10699% change) linmin: converged after 4 iterations. - iteration 45: trace = 0.000959684382235147 (5.33788% change) + iteration 45: trace = 0.0009596843822505005 (5.33788% change) linmin: converged after 3 iterations. - iteration 46: trace = 0.000943354237015166 (1.71622% change) + iteration 46: trace = 0.0009433542370224519 (1.71622% change) linmin: converged after 4 iterations. - iteration 47: trace = 0.0009300901235595421 (1.41601% change) + iteration 47: trace = 0.0009300901235734737 (1.41601% change) large trace change predicted (3.90141%) linmin: converged after 3 iterations. - iteration 48: trace = 0.0008922288348162437 (4.15529% change) + iteration 48: trace = 0.0008922288348570313 (4.15529% change) linmin: converged after 3 iterations. - iteration 49: trace = 0.0008402236786248237 (6.00365% change) + iteration 49: trace = 0.0008402236786578302 (6.00365% change) linmin: converged after 3 iterations. - iteration 50: trace = 0.0008215818528832003 (2.24356% change) + iteration 50: trace = 0.0008215818528999196 (2.24356% change) linmin: converged after 4 iterations. - iteration 51: trace = 0.0008154335389685196 (0.751161% change) + iteration 51: trace = 0.0008154335389818812 (0.751161% change) linmin: converged after 4 iterations. - iteration 52: trace = 0.0008063590029084615 (1.11907% change) + iteration 52: trace = 0.0008063590029244228 (1.11907% change) large trace change predicted (2.62064%) linmin: converged after 3 iterations. - iteration 53: trace = 0.000784679285628749 (2.72523% change) + iteration 53: trace = 0.0007846792856483527 (2.72523% change) linmin: converged after 4 iterations. - iteration 54: trace = 0.0007683178497659083 (2.10708% change) + iteration 54: trace = 0.0007683178497783137 (2.10708% change) linmin: converged after 4 iterations. - iteration 55: trace = 0.0007629615245081469 (0.699588% change) + iteration 55: trace = 0.0007629615245174975 (0.699588% change) linmin: converged after 4 iterations. - iteration 56: trace = 0.0007583989713872566 (0.599799% change) + iteration 56: trace = 0.0007583989713973156 (0.599799% change) large trace change predicted (1.77635%) linmin: converged after 4 iterations. - iteration 57: trace = 0.0007447092847867087 (1.82152% change) + iteration 57: trace = 0.0007447092848044922 (1.82152% change) linmin: converged after 3 iterations. - iteration 58: trace = 0.0007205764148131018 (3.29395% change) + iteration 58: trace = 0.0007205764148383024 (3.29395% change) linmin: converged after 4 iterations. - iteration 59: trace = 0.0007087748391318638 (1.65132% change) + iteration 59: trace = 0.0007087748391560633 (1.65132% change) linmin: converged after 4 iterations. - iteration 60: trace = 0.0007038858193829798 (0.692172% change) + iteration 60: trace = 0.0007038858194064602 (0.692172% change) linmin: converged after 4 iterations. - iteration 61: trace = 0.0006965316867013873 (1.05028% change) + iteration 61: trace = 0.0006965316867242302 (1.05028% change) linmin: converged after 4 iterations. - iteration 62: trace = 0.000682131063403791 (2.08907% change) + iteration 62: trace = 0.0006821310634198105 (2.08907% change) linmin: converged after 4 iterations. - iteration 63: trace = 0.000673227250291219 (1.31387% change) + iteration 63: trace = 0.0006732272502985142 (1.31387% change) linmin: converged after 4 iterations. - iteration 64: trace = 0.0006706397275826058 (0.385086% change) + iteration 64: trace = 0.0006706397275878437 (0.385086% change) linmin: converged after 4 iterations. - iteration 65: trace = 0.000668766495541807 (0.279711% change) + iteration 65: trace = 0.0006687664955478974 (0.279711% change) large trace change predicted (0.773811%) linmin: converged after 4 iterations. - iteration 66: trace = 0.0006635582625713897 (0.781826% change) + iteration 66: trace = 0.0006635582625822932 (0.781826% change) linmin: converged after 4 iterations. - iteration 67: trace = 0.0006532764523630681 (1.56159% change) + iteration 67: trace = 0.000653276452373635 (1.56159% change) linmin: converged after 4 iterations. - iteration 68: trace = 0.0006474716356827301 (0.892535% change) + iteration 68: trace = 0.0006474716356873236 (0.892535% change) linmin: converged after 4 iterations. - iteration 69: trace = 0.0006450938580197538 (0.367916% change) + iteration 69: trace = 0.0006450938580232731 (0.367916% change) resetting CG direction... linmin: converged after 3 iterations. - iteration 70: trace = 0.0006443641358044016 (0.113183% change) + iteration 70: trace = 0.0006443641358080733 (0.113183% change) large trace change predicted (0.596167%) linmin: converged after 3 iterations. - iteration 71: trace = 0.000640525077187094 (0.59757% change) + iteration 71: trace = 0.0006405250771908999 (0.59757% change) linmin: converged after 3 iterations. - iteration 72: trace = 0.0006341861459371877 (0.994567% change) + iteration 72: trace = 0.000634186145983554 (0.994567% change) linmin: converged after 3 iterations. - iteration 73: trace = 0.0006251090623055692 (1.44161% change) + iteration 73: trace = 0.000625109062304795 (1.44161% change) linmin: converged after 3 iterations. - iteration 74: trace = 0.0006222593712666321 (0.456912% change) + iteration 74: trace = 0.0006222593712733549 (0.456912% change) large trace change predicted (3.61349%) linmin: converged after 3 iterations. - iteration 75: trace = 0.000599853047422651 (3.66682% change) + iteration 75: trace = 0.0005998530474187711 (3.66682% change) linmin: converged after 4 iterations. - iteration 76: trace = 0.0005843776721892269 (2.61357% change) + iteration 76: trace = 0.0005843776721953989 (2.61357% change) linmin: converged after 2 iterations. - iteration 77: trace = 0.0005836056887256307 (0.132191% change) + iteration 77: trace = 0.0005836056887260537 (0.132191% change) linmin: converged after 3 iterations. - iteration 78: trace = 0.0005831765145365822 (0.0735654% change) + iteration 78: trace = 0.0005831765145370874 (0.0735654% change) large trace change predicted (0.940528%) linmin: converged after 3 iterations. - iteration 79: trace = 0.0005777134988161396 (0.941177% change) + iteration 79: trace = 0.0005777134988146979 (0.941177% change) linmin: converged after 3 iterations. - iteration 80: trace = 0.0005735210833033399 (0.728334% change) + iteration 80: trace = 0.0005735210833030972 (0.728334% change) linmin: converged after 3 iterations. - iteration 81: trace = 0.0005729501811560183 (0.0995929% change) + iteration 81: trace = 0.0005729501811576153 (0.0995929% change) linmin: converged after 3 iterations. - iteration 82: trace = 0.0005724824656890279 (0.0816662% change) + iteration 82: trace = 0.0005724824656891616 (0.0816662% change) linmin: converged after 3 iterations. - iteration 83: trace = 0.0005716748811385896 (0.141167% change) + iteration 83: trace = 0.0005716748811391363 (0.141167% change) large trace change predicted (0.473833%) linmin: converged after 3 iterations. - iteration 84: trace = 0.0005689973367348973 (0.469468% change) + iteration 84: trace = 0.000568997336733901 (0.469468% change) linmin: converged after 3 iterations. - iteration 85: trace = 0.0005688164359378014 (0.031798% change) + iteration 85: trace = 0.0005688164359380995 (0.031798% change) linmin: converged after 3 iterations. - iteration 86: trace = 0.0005685241086948509 (0.0514054% change) + iteration 86: trace = 0.0005685241086939711 (0.0514054% change) linmin: converged after 3 iterations. - iteration 87: trace = 0.0005680601706818471 (0.0816372% change) + iteration 87: trace = 0.0005680601706822806 (0.0816372% change) linmin: converged after 4 iterations. - iteration 88: trace = 0.0005674452625847519 (0.108306% change) + iteration 88: trace = 0.0005674452625843014 (0.108306% change) linmin: converged after 2 iterations. - iteration 89: trace = 0.0005673892515685824 (0.00987122% change) + iteration 89: trace = 0.0005673892515686887 (0.00987122% change) large trace change predicted (0.0466111%) linmin: converged after 2 iterations. - iteration 90: trace = 0.0005671245107265056 (0.0466704% change) + iteration 90: trace = 0.0005671245107250311 (0.0466704% change) large trace change predicted (0.149567%) linmin: converged after 4 iterations. - iteration 91: trace = 0.0005662735341356239 (0.150164% change) + iteration 91: trace = 0.0005662735341360785 (0.150164% change) linmin: converged after 4 iterations. - iteration 92: trace = 0.0005659201341644 (0.0624275% change) + iteration 92: trace = 0.0005659201341635256 (0.0624275% change) linmin: converged after 2 iterations. - iteration 93: trace = 0.0005658242203232565 (0.0169497% change) + iteration 93: trace = 0.0005658242203237851 (0.0169497% change) large trace change predicted (0.0719274%) linmin: converged after 3 iterations. - iteration 94: trace = 0.0005654172724862558 (0.0719471% change) + iteration 94: trace = 0.0005654172724847123 (0.0719471% change) linmin: converged after 2 iterations. - iteration 95: trace = 0.0005652372676748471 (0.0318408% change) + iteration 95: trace = 0.0005652372676749006 (0.0318408% change) large trace change predicted (0.0910646%) linmin: converged after 2 iterations. - iteration 96: trace = 0.0005647224630764961 (0.0911191% change) + iteration 96: trace = 0.0005647224630737253 (0.0911191% change) linmin: converged after 2 iterations. - iteration 97: trace = 0.0005645479868322593 (0.0309007% change) + iteration 97: trace = 0.0005645479868324312 (0.0309007% change) linmin: converged after 2 iterations. - iteration 98: trace = 0.0005643908579165657 (0.0278366% change) + iteration 98: trace = 0.0005643908579148861 (0.0278366% change) linmin: converged after 2 iterations. - iteration 99: trace = 0.0005641061419382308 (0.0504593% change) + iteration 99: trace = 0.0005641061419384062 (0.0504593% change) linmin: converged after 2 iterations. - iteration 100: trace = 0.0005639955171002747 (0.0196126% change) + iteration 100: trace = 0.0005639955170992458 (0.0196126% change) linmin: converged after 2 iterations. - iteration 101: trace = 0.0005639228619948146 (0.012883% change) + iteration 101: trace = 0.0005639228619948543 (0.012883% change) linmin: converged after 2 iterations. - iteration 102: trace = 0.0005638118885827305 (0.0196808% change) + iteration 102: trace = 0.0005638118885826053 (0.0196808% change) linmin: converged after 2 iterations. - iteration 103: trace = 0.0005638049972376717 (0.00122228% change) + iteration 103: trace = 0.0005638049972377037 (0.00122228% change) large trace change predicted (0.0112905%) linmin: converged after 3 iterations. - iteration 104: trace = 0.0005637413480909509 (0.0112899% change) + iteration 104: trace = 0.000563741348090594 (0.0112899% change) linmin: converged after 2 iterations. - iteration 105: trace = 0.0005637272110879312 (0.00250774% change) + iteration 105: trace = 0.0005637272110879502 (0.00250774% change) large trace change predicted (0.0167509%) linmin: converged after 3 iterations. - iteration 106: trace = 0.0005636328809173329 (0.0167347% change) + iteration 106: trace = 0.0005636328809173493 (0.0167347% change) linmin: converged after 2 iterations. - iteration 107: trace = 0.0005636302139017894 (0.000473184% change) + iteration 107: trace = 0.0005636302139017446 (0.000473184% change) large trace change predicted (0.011255%) linmin: converged after 3 iterations. - iteration 108: trace = 0.0005635668014342314 (0.0112514% change) + iteration 108: trace = 0.0005635668014338545 (0.0112514% change) linmin: converged after 2 iterations. - iteration 109: trace = 0.0005635622082828341 (0.000815018% change) + iteration 109: trace = 0.0005635622082828396 (0.000815018% change) large trace change predicted (0.0100084%) linmin: converged after 2 iterations. - iteration 110: trace = 0.0005635057669609862 (0.0100156% change) + iteration 110: trace = 0.0005635057669610017 (0.0100156% change) linmin: converged after 2 iterations. - iteration 111: trace = 0.0005635037764395068 (0.00035324% change) + iteration 111: trace = 0.00056350377643951 (0.00035324% change) large trace change predicted (0.0026277%) linmin: converged after 2 iterations. - iteration 112: trace = 0.0005634889662202358 (0.00262827% change) + iteration 112: trace = 0.0005634889662202387 (0.00262827% change) linmin: converged after 2 iterations. - iteration 113: trace = 0.0005634882607326908 (0.0001252% change) + iteration 113: trace = 0.0005634882607326309 (0.0001252% change) large trace change predicted (0.00291264%) linmin: converged after 2 iterations. - iteration 114: trace = 0.0005634718475843487 (0.00291282% change) + iteration 114: trace = 0.0005634718475843461 (0.00291282% change) linmin: converged after 2 iterations. - iteration 115: trace = 0.0005634714736823217 (6.63568e-05% change) + iteration 115: trace = 0.0005634714736823189 (6.63568e-05% change) large trace change predicted (0.000998649%) linmin: converged after 2 iterations. - iteration 116: trace = 0.0005634658467070847 (0.000998631% change) + iteration 116: trace = 0.0005634658467070874 (0.000998631% change) linmin: converged after 2 iterations. - iteration 117: trace = 0.0005634622717781715 (0.000634456% change) + iteration 117: trace = 0.0005634622717779372 (0.000634456% change) linmin: converged after 2 iterations. - iteration 118: trace = 0.0005634592314072815 (0.000539589% change) + iteration 118: trace = 0.000563459231407279 (0.000539589% change) linmin: converged after 2 iterations. - iteration 119: trace = 0.0005634586824729545 (9.74222e-05% change) + iteration 119: trace = 0.0005634586824729336 (9.74222e-05% change) large trace change predicted (0.00131778%) linmin: converged after 2 iterations. - iteration 120: trace = 0.0005634512572225861 (0.00131781% change) + iteration 120: trace = 0.0005634512572225874 (0.00131781% change) linmin: converged after 2 iterations. - iteration 121: trace = 0.0005634495415996299 (0.000304485% change) + iteration 121: trace = 0.0005634495415996051 (0.000304485% change) linmin: converged after 2 iterations. - iteration 122: trace = 0.0005634488966648234 (0.000114462% change) + iteration 122: trace = 0.0005634488966648238 (0.000114462% change) large trace change predicted (0.000368054%) linmin: converged after 2 iterations. - iteration 123: trace = 0.0005634468229277085 (0.000368044% change) + iteration 123: trace = 0.0005634468229274942 (0.000368044% change) linmin: converged after 2 iterations. - iteration 124: trace = 0.0005634443003502043 (0.000447706% change) + iteration 124: trace = 0.0005634443003502086 (0.000447706% change) linmin: converged after 2 iterations. - iteration 125: trace = 0.0005634433325083359 (0.000171773% change) + iteration 125: trace = 0.0005634433325083211 (0.000171773% change) linmin: converged after 2 iterations. - iteration 126: trace = 0.0005634428207723466 (9.0823e-05% change) + iteration 126: trace = 0.0005634428207723491 (9.0823e-05% change) linmin: converged after 2 iterations. - iteration 127: trace = 0.0005634422976099442 (9.28511e-05% change) + iteration 127: trace = 0.0005634422976098976 (9.28511e-05% change) linmin: converged after 2 iterations. - iteration 128: trace = 0.0005634420043699671 (5.20444e-05% change) + iteration 128: trace = 0.0005634420043699698 (5.20444e-05% change) linmin: converged after 2 iterations. - iteration 129: trace = 0.0005634418467569304 (2.79733e-05% change) + iteration 129: trace = 0.0005634418467569279 (2.79733e-05% change) linmin: converged after 2 iterations. - iteration 130: trace = 0.0005634418013849211 (8.05265e-06% change) + iteration 130: trace = 0.0005634418013849208 (8.05265e-06% change) large trace change predicted (3.45757e-05%) linmin: converged after 2 iterations. - iteration 131: trace = 0.0005634416065711369 (3.45757e-05% change) + iteration 131: trace = 0.0005634416065711363 (3.45757e-05% change) linmin: converged after 1 iterations. - iteration 132: trace = 0.0005634415918236819 (2.61739e-06% change) + iteration 132: trace = 0.0005634415918236834 (2.61739e-06% change) large trace change predicted (2.99597e-05%) linmin: converged after 2 iterations. - iteration 133: trace = 0.0005634414230192412 (2.99595e-05% change) + iteration 133: trace = 0.0005634414230192417 (2.99595e-05% change) linmin: converged after 2 iterations. - iteration 134: trace = 0.0005634414058051536 (3.05517e-06% change) + iteration 134: trace = 0.0005634414058051545 (3.05517e-06% change) large trace change predicted (2.45802e-05%) linmin: converged after 2 iterations. - iteration 135: trace = 0.0005634412673104865 (2.45801e-05% change) + iteration 135: trace = 0.0005634412673104861 (2.45801e-05% change) linmin: converged after 2 iterations. - iteration 136: trace = 0.0005634412596039256 (1.36777e-06% change) + iteration 136: trace = 0.0005634412596039244 (1.36777e-06% change) large trace change predicted (3.39941e-05%) linmin: converged after 2 iterations. - iteration 137: trace = 0.0005634410680651487 (3.39945e-05% change) + iteration 137: trace = 0.0005634410680651449 (3.39945e-05% change) linmin: converged after 2 iterations. - iteration 138: trace = 0.0005634410555334601 (2.22413e-06% change) + iteration 138: trace = 0.0005634410555334633 (2.22413e-06% change) large trace change predicted (8.09133e-06%) linmin: converged after 2 iterations. - iteration 139: trace = 0.0005634410099435853 (8.09133e-06% change) + iteration 139: trace = 0.0005634410099435846 (8.09133e-06% change) resetting CG direction... linmin: converged after 2 iterations. - iteration 140: trace = 0.000563441003217511 (1.19375e-06% change) + iteration 140: trace = 0.0005634410032175119 (1.19375e-06% change) large trace change predicted (4.4635e-06%) linmin: converged after 2 iterations. - iteration 141: trace = 0.0005634409780683253 (4.4635e-06% change) + iteration 141: trace = 0.0005634409780683246 (4.4635e-06% change) linmin: converged after 2 iterations. - iteration 142: trace = 0.0005634409654746167 (2.23514e-06% change) + iteration 142: trace = 0.0005634409654746178 (2.23514e-06% change) large trace change predicted (1.00797e-05%) linmin: converged after 2 iterations. - iteration 143: trace = 0.0005634409086817542 (1.00796e-05% change) + iteration 143: trace = 0.0005634409086817554 (1.00796e-05% change) linmin: converged after 2 iterations. - iteration 144: trace = 0.0005634408822215101 (4.69619e-06% change) + iteration 144: trace = 0.0005634408822215138 (4.69619e-06% change) linmin: converged after 2 iterations. - iteration 145: trace = 0.0005634408794977981 (4.83407e-07% change) + iteration 145: trace = 0.0005634408794977988 (4.83407e-07% change) Finished solving for bands 1 to 1 after 145 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.313486 -elapsed time for k point: 1.845365047454834 -total elapsed time for run: 1.8667621612548828 +elapsed time for k point: 4.298075437545776 +total elapsed time for run: 4.339710712432861 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -71704,332 +67894,332 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.020840167999267578 +elapsed time for initialization: 0.05333900451660156 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. - iteration 1: trace = 0.01396271777790279 (199.998% change) + iteration 1: trace = 0.01396271777790278 (199.998% change) linmin: converged after 7 iterations. - iteration 2: trace = 0.01327684378988493 (5.03587% change) + iteration 2: trace = 0.01327684378988491 (5.03587% change) linmin: converged after 5 iterations. - iteration 3: trace = 0.01313325505801896 (1.08738% change) + iteration 3: trace = 0.01313325505801895 (1.08738% change) near maximum in trace linmin: converged after 6 iterations. - iteration 4: trace = 0.01143107373087056 (13.859% change) + iteration 4: trace = 0.01143107373086868 (13.859% change) linmin: converged after 8 iterations. - iteration 5: trace = 0.0105716917720197 (7.81158% change) + iteration 5: trace = 0.01057169177201445 (7.81158% change) linmin: converged after 6 iterations. - iteration 6: trace = 0.01011490408595862 (4.41627% change) + iteration 6: trace = 0.0101149040859585 (4.41627% change) linmin: converged after 6 iterations. - iteration 7: trace = 0.009876993404167896 (2.38007% change) + iteration 7: trace = 0.00987699340416227 (2.38007% change) linmin: converged after 8 iterations. - iteration 8: trace = 0.008846068608249009 (11.0124% change) + iteration 8: trace = 0.00884606860824064 (11.0124% change) linmin: converged after 6 iterations. - iteration 9: trace = 0.008517042221226631 (3.78995% change) + iteration 9: trace = 0.008517042221224161 (3.78995% change) linmin: converged after 5 iterations. - iteration 10: trace = 0.008326268739399675 (2.26527% change) + iteration 10: trace = 0.008326268739395114 (2.26527% change) large trace change predicted (6.09955%) linmin: converged after 8 iterations. - iteration 11: trace = 0.007074915363949338 (16.2501% change) + iteration 11: trace = 0.007074915363933865 (16.2501% change) linmin: converged after 5 iterations. - iteration 12: trace = 0.006842447679850567 (3.34069% change) + iteration 12: trace = 0.006842447679840275 (3.34069% change) linmin: converged after 5 iterations. - iteration 13: trace = 0.006644462857852558 (2.93596% change) + iteration 13: trace = 0.006644462857835163 (2.93596% change) linmin: converged after 8 iterations. - iteration 14: trace = 0.005865808909947778 (12.4482% change) + iteration 14: trace = 0.005865808909957482 (12.4482% change) linmin: converged after 5 iterations. - iteration 15: trace = 0.005690964406063527 (3.02584% change) + iteration 15: trace = 0.005690964406083124 (3.02584% change) linmin: converged after 5 iterations. - iteration 16: trace = 0.005359509169335739 (5.99893% change) + iteration 16: trace = 0.005359509169349666 (5.99893% change) linmin: converged after 6 iterations. - iteration 17: trace = 0.004560608210191721 (16.1067% change) + iteration 17: trace = 0.004560608210193097 (16.1067% change) linmin: converged after 4 iterations. - iteration 18: trace = 0.004423220918551189 (3.05855% change) + iteration 18: trace = 0.004423220918540973 (3.05855% change) linmin: converged after 3 iterations. - iteration 19: trace = 0.004368098767771778 (1.25401% change) + iteration 19: trace = 0.004368098767766329 (1.25401% change) large trace change predicted (8.81704%) linmin: converged after 6 iterations. - iteration 20: trace = 0.003725892430793943 (15.8687% change) + iteration 20: trace = 0.003725892430839478 (15.8687% change) linmin: converged after 6 iterations. - iteration 21: trace = 0.003276517527378307 (12.8349% change) + iteration 21: trace = 0.003276517527389678 (12.8349% change) linmin: converged after 3 iterations. - iteration 22: trace = 0.003217890899324664 (1.80545% change) + iteration 22: trace = 0.003217890899329299 (1.80545% change) linmin: converged after 5 iterations. - iteration 23: trace = 0.003089917728461154 (4.05761% change) + iteration 23: trace = 0.003089917728489956 (4.05761% change) linmin: converged after 6 iterations. - iteration 24: trace = 0.002789089266770034 (10.234% change) + iteration 24: trace = 0.002789089266780188 (10.234% change) linmin: converged after 4 iterations. - iteration 25: trace = 0.00271090581614276 (2.84304% change) + iteration 25: trace = 0.00271090581613373 (2.84304% change) linmin: converged after 3 iterations. - iteration 26: trace = 0.002674218653196001 (1.36254% change) + iteration 26: trace = 0.002674218653191085 (1.36254% change) large trace change predicted (6.80505%) linmin: converged after 5 iterations. - iteration 27: trace = 0.002438971014238784 (9.2016% change) + iteration 27: trace = 0.002438971014284506 (9.2016% change) linmin: converged after 6 iterations. - iteration 28: trace = 0.002034189826722568 (18.0982% change) + iteration 28: trace = 0.002034189826756354 (18.0982% change) linmin: converged after 4 iterations. - iteration 29: trace = 0.001933181583173824 (5.09195% change) + iteration 29: trace = 0.001933181583190773 (5.09195% change) linmin: converged after 3 iterations. - iteration 30: trace = 0.001907998976199941 (1.31119% change) + iteration 30: trace = 0.001907998976217171 (1.31119% change) large trace change predicted (3.49571%) linmin: converged after 4 iterations. - iteration 31: trace = 0.001834919993046496 (3.90492% change) + iteration 31: trace = 0.001834919993070733 (3.90492% change) linmin: converged after 5 iterations. - iteration 32: trace = 0.001694173476539198 (7.97636% change) + iteration 32: trace = 0.001694173476542283 (7.97636% change) linmin: converged after 3 iterations. - iteration 33: trace = 0.001646416286639807 (2.85921% change) + iteration 33: trace = 0.001646416286630099 (2.85921% change) linmin: converged after 3 iterations. - iteration 34: trace = 0.001622123538454886 (1.48646% change) + iteration 34: trace = 0.001622123538448057 (1.48646% change) large trace change predicted (5.19533%) linmin: converged after 4 iterations. - iteration 35: trace = 0.0015273660742384 (6.01732% change) + iteration 35: trace = 0.001527366074256373 (6.01732% change) linmin: converged after 5 iterations. - iteration 36: trace = 0.001331717884091911 (13.6861% change) + iteration 36: trace = 0.0013317178840964 (13.6861% change) linmin: converged after 4 iterations. - iteration 37: trace = 0.001255606316197076 (5.88342% change) + iteration 37: trace = 0.001255606316180671 (5.88342% change) linmin: converged after 3 iterations. - iteration 38: trace = 0.001232184805805843 (1.88292% change) + iteration 38: trace = 0.001232184805791 (1.88292% change) linmin: converged after 3 iterations. - iteration 39: trace = 0.001191709709356282 (3.33967% change) + iteration 39: trace = 0.001191709709358326 (3.33967% change) linmin: converged after 4 iterations. - iteration 40: trace = 0.001116235433397763 (6.54039% change) + iteration 40: trace = 0.001116235433406969 (6.54039% change) linmin: converged after 3 iterations. - iteration 41: trace = 0.001082435949683927 (3.07454% change) + iteration 41: trace = 0.001082435949684928 (3.07454% change) linmin: converged after 4 iterations. - iteration 42: trace = 0.001071218450411151 (1.04172% change) + iteration 42: trace = 0.001071218450410519 (1.04172% change) linmin: converged after 3 iterations. - iteration 43: trace = 0.001050833573729051 (1.92124% change) + iteration 43: trace = 0.00105083357373059 (1.92124% change) large trace change predicted (5.53279%) linmin: converged after 4 iterations. - iteration 44: trace = 0.0009876540752039222 (6.19866% change) + iteration 44: trace = 0.0009876540752102262 (6.19866% change) linmin: converged after 4 iterations. - iteration 45: trace = 0.0009353335329453021 (5.44159% change) + iteration 45: trace = 0.0009353335329499097 (5.44159% change) linmin: converged after 3 iterations. - iteration 46: trace = 0.0009190905772947226 (1.75181% change) + iteration 46: trace = 0.000919090577298125 (1.75181% change) linmin: converged after 4 iterations. - iteration 47: trace = 0.0009058436032717036 (1.45178% change) + iteration 47: trace = 0.000905843603273992 (1.45178% change) large trace change predicted (4.00783%) linmin: converged after 3 iterations. - iteration 48: trace = 0.0008679705371620204 (4.27024% change) + iteration 48: trace = 0.0008679705371615349 (4.27024% change) linmin: converged after 3 iterations. - iteration 49: trace = 0.0008163908945098342 (6.12453% change) + iteration 49: trace = 0.0008163908945100204 (6.12453% change) linmin: converged after 4 iterations. - iteration 50: trace = 0.0007981010811138573 (2.26571% change) + iteration 50: trace = 0.0007981010811161395 (2.26571% change) linmin: converged after 4 iterations. - iteration 51: trace = 0.0007920809420618214 (0.757164% change) + iteration 51: trace = 0.0007920809420649967 (0.757164% change) linmin: converged after 4 iterations. - iteration 52: trace = 0.0007831096983610429 (1.13907% change) + iteration 52: trace = 0.0007831096983647927 (1.13907% change) large trace change predicted (2.68696%) linmin: converged after 3 iterations. - iteration 53: trace = 0.0007615285021806699 (2.79434% change) + iteration 53: trace = 0.0007615285021828592 (2.79434% change) linmin: converged after 4 iterations. - iteration 54: trace = 0.0007452609271391329 (2.15924% change) + iteration 54: trace = 0.0007452609271387472 (2.15924% change) linmin: converged after 4 iterations. - iteration 55: trace = 0.0007399621295468081 (0.713536% change) + iteration 55: trace = 0.0007399621295458268 (0.713536% change) linmin: converged after 4 iterations. - iteration 56: trace = 0.0007354451060916182 (0.612309% change) + iteration 56: trace = 0.0007354451060907106 (0.612309% change) large trace change predicted (1.82266%) linmin: converged after 4 iterations. - iteration 57: trace = 0.0007218268493620257 (1.86901% change) + iteration 57: trace = 0.0007218268493612014 (1.86901% change) linmin: converged after 3 iterations. - iteration 58: trace = 0.0006978564989355831 (3.37686% change) + iteration 58: trace = 0.0006978564989325314 (3.37686% change) linmin: converged after 4 iterations. - iteration 59: trace = 0.0006862159288848806 (1.68208% change) + iteration 59: trace = 0.0006862159288805176 (1.68208% change) linmin: converged after 4 iterations. - iteration 60: trace = 0.0006814087152252336 (0.703002% change) + iteration 60: trace = 0.0006814087152212044 (0.703002% change) linmin: converged after 4 iterations. - iteration 61: trace = 0.000674150719073446 (1.07085% change) + iteration 61: trace = 0.0006741507190712502 (1.07085% change) linmin: converged after 4 iterations. - iteration 62: trace = 0.0006599995940308902 (2.12137% change) + iteration 62: trace = 0.0006599995940315679 (2.12137% change) linmin: converged after 4 iterations. - iteration 63: trace = 0.0006513439268552154 (1.32012% change) + iteration 63: trace = 0.0006513439268566425 (1.32012% change) linmin: converged after 4 iterations. - iteration 64: trace = 0.0006488237794697233 (0.387665% change) + iteration 64: trace = 0.0006488237794711058 (0.387665% change) linmin: converged after 4 iterations. - iteration 65: trace = 0.0006469461201987571 (0.289814% change) + iteration 65: trace = 0.0006469461201998233 (0.289814% change) large trace change predicted (0.810595%) linmin: converged after 4 iterations. - iteration 66: trace = 0.0006416681505726042 (0.81917% change) + iteration 66: trace = 0.000641668150572701 (0.81917% change) linmin: converged after 4 iterations. - iteration 67: trace = 0.0006315484776710645 (1.58962% change) + iteration 67: trace = 0.0006315484776716236 (1.58962% change) linmin: converged after 4 iterations. - iteration 68: trace = 0.0006260136834987559 (0.880242% change) + iteration 68: trace = 0.0006260136835007131 (0.880242% change) linmin: converged after 4 iterations. - iteration 69: trace = 0.0006237063576440872 (0.369255% change) + iteration 69: trace = 0.0006237063576462207 (0.369255% change) resetting CG direction... linmin: converged after 3 iterations. - iteration 70: trace = 0.0006229823627468336 (0.116147% change) + iteration 70: trace = 0.0006229823627488954 (0.116147% change) large trace change predicted (0.609708%) linmin: converged after 3 iterations. - iteration 71: trace = 0.0006191863134131451 (0.611197% change) + iteration 71: trace = 0.0006191863134151354 (0.611197% change) large trace change predicted (1.7554%) linmin: converged after 3 iterations. - iteration 72: trace = 0.0006083344731421098 (1.76809% change) + iteration 72: trace = 0.0006083344731401935 (1.76809% change) linmin: converged after 3 iterations. - iteration 73: trace = 0.0006039819544211147 (0.71805% change) + iteration 73: trace = 0.0006039819544209308 (0.71805% change) linmin: converged after 3 iterations. - iteration 74: trace = 0.0005953481801856599 (1.43977% change) + iteration 74: trace = 0.0005953481801605506 (1.43977% change) linmin: converged after 3 iterations. - iteration 75: trace = 0.0005790998597530178 (2.76697% change) + iteration 75: trace = 0.0005790998597500234 (2.76697% change) linmin: converged after 4 iterations. - iteration 76: trace = 0.0005636615393937976 (2.70193% change) + iteration 76: trace = 0.0005636615393927905 (2.70193% change) linmin: converged after 2 iterations. - iteration 77: trace = 0.0005632767885222335 (0.0682825% change) + iteration 77: trace = 0.0005632767885220651 (0.0682825% change) large trace change predicted (0.15294%) linmin: converged after 3 iterations. - iteration 78: trace = 0.0005624159234887405 (0.152948% change) + iteration 78: trace = 0.0005624159234875018 (0.152948% change) large trace change predicted (0.911925%) linmin: converged after 3 iterations. - iteration 79: trace = 0.0005573063060985239 (0.912658% change) + iteration 79: trace = 0.0005573063060954887 (0.912658% change) linmin: converged after 3 iterations. - iteration 80: trace = 0.0005534008786990929 (0.703233% change) + iteration 80: trace = 0.000553400878698238 (0.703233% change) linmin: converged after 3 iterations. - iteration 81: trace = 0.0005527445947014258 (0.118661% change) + iteration 81: trace = 0.0005527445947011943 (0.118661% change) linmin: converged after 3 iterations. - iteration 82: trace = 0.000552322216445164 (0.0764439% change) + iteration 82: trace = 0.0005523222164455052 (0.0764439% change) linmin: converged after 3 iterations. - iteration 83: trace = 0.0005515161192019065 (0.146053% change) + iteration 83: trace = 0.0005515161192017019 (0.146053% change) large trace change predicted (0.456202%) linmin: converged after 3 iterations. - iteration 84: trace = 0.0005490276986459375 (0.452217% change) + iteration 84: trace = 0.0005490276986457492 (0.452217% change) linmin: converged after 3 iterations. - iteration 85: trace = 0.0005486976231660303 (0.0601381% change) + iteration 85: trace = 0.0005486976231659771 (0.0601381% change) linmin: converged after 3 iterations. - iteration 86: trace = 0.0005485471397362772 (0.0274293% change) + iteration 86: trace = 0.0005485471397365855 (0.0274293% change) large trace change predicted (0.104834%) linmin: converged after 3 iterations. - iteration 87: trace = 0.0005479727715647271 (0.104762% change) + iteration 87: trace = 0.0005479727715648155 (0.104762% change) linmin: converged after 2 iterations. - iteration 88: trace = 0.0005475046960766316 (0.085456% change) + iteration 88: trace = 0.0005475046960763269 (0.085456% change) linmin: converged after 2 iterations. - iteration 89: trace = 0.0005473526469117029 (0.0277752% change) + iteration 89: trace = 0.0005473526469117263 (0.0277752% change) linmin: converged after 2 iterations. - iteration 90: trace = 0.0005472800290826607 (0.013268% change) + iteration 90: trace = 0.0005472800290830159 (0.013268% change) large trace change predicted (0.180543%) linmin: converged after 4 iterations. - iteration 91: trace = 0.0005462881158843215 (0.181409% change) + iteration 91: trace = 0.0005462881158843291 (0.181409% change) linmin: converged after 2 iterations. - iteration 92: trace = 0.0005461207310638469 (0.0306451% change) + iteration 92: trace = 0.000546120731063249 (0.0306451% change) linmin: converged after 2 iterations. - iteration 93: trace = 0.0005458505698378529 (0.0494814% change) + iteration 93: trace = 0.0005458505698378125 (0.0494814% change) linmin: converged after 2 iterations. - iteration 94: trace = 0.0005457798751033381 (0.0129521% change) + iteration 94: trace = 0.0005457798751037792 (0.0129521% change) large trace change predicted (0.0900923%) linmin: converged after 3 iterations. - iteration 95: trace = 0.000545288256175002 (0.090117% change) + iteration 95: trace = 0.0005452882561750283 (0.090117% change) linmin: converged after 2 iterations. - iteration 96: trace = 0.0005451436125592623 (0.0265296% change) + iteration 96: trace = 0.0005451436125581359 (0.0265296% change) large trace change predicted (0.0932169%) linmin: converged after 2 iterations. - iteration 97: trace = 0.0005446353773013098 (0.0932731% change) + iteration 97: trace = 0.0005446353773013606 (0.0932731% change) linmin: converged after 2 iterations. - iteration 98: trace = 0.0005446247544599609 (0.00195047% change) + iteration 98: trace = 0.0005446247544600126 (0.00195047% change) large trace change predicted (0.0828773%) linmin: converged after 3 iterations. - iteration 99: trace = 0.0005441711389643854 (0.0833242% change) + iteration 99: trace = 0.0005441711389644642 (0.0833242% change) linmin: converged after 2 iterations. - iteration 100: trace = 0.0005441562713011943 (0.0027322% change) + iteration 100: trace = 0.0005441562713011815 (0.0027322% change) large trace change predicted (0.0234901%) linmin: converged after 2 iterations. - iteration 101: trace = 0.0005440282539577455 (0.0235286% change) + iteration 101: trace = 0.000544028253957792 (0.0235286% change) linmin: converged after 2 iterations. - iteration 102: trace = 0.0005440227592686041 (0.00101001% change) + iteration 102: trace = 0.0005440227592686366 (0.00101001% change) large trace change predicted (0.0204397%) linmin: converged after 2 iterations. - iteration 103: trace = 0.0005439114908242292 (0.020455% change) + iteration 103: trace = 0.0005439114908242543 (0.020455% change) linmin: converged after 2 iterations. - iteration 104: trace = 0.0005439052442571621 (0.00114846% change) + iteration 104: trace = 0.0005439052442571294 (0.00114846% change) large trace change predicted (0.0118837%) linmin: converged after 3 iterations. - iteration 105: trace = 0.0005438406202163108 (0.0118822% change) + iteration 105: trace = 0.0005438406202163479 (0.0118822% change) linmin: converged after 2 iterations. - iteration 106: trace = 0.0005438370058488941 (0.000664603% change) + iteration 106: trace = 0.0005438370058489343 (0.000664603% change) large trace change predicted (0.0154666%) linmin: converged after 3 iterations. - iteration 107: trace = 0.000543752969605734 (0.0154537% change) + iteration 107: trace = 0.0005437529696057512 (0.0154537% change) linmin: converged after 2 iterations. - iteration 108: trace = 0.0005437511838656576 (0.000328411% change) + iteration 108: trace = 0.0005437511838656613 (0.000328411% change) large trace change predicted (0.0115138%) linmin: converged after 3 iterations. - iteration 109: trace = 0.0005436886019064124 (0.01151% change) + iteration 109: trace = 0.0005436886019064777 (0.01151% change) linmin: converged after 2 iterations. - iteration 110: trace = 0.0005436852057075105 (0.000624661% change) + iteration 110: trace = 0.0005436852057075125 (0.000624661% change) large trace change predicted (0.00985811%) linmin: converged after 2 iterations. - iteration 111: trace = 0.0005436315752403894 (0.00986474% change) + iteration 111: trace = 0.0005436315752403465 (0.00986474% change) linmin: converged after 2 iterations. - iteration 112: trace = 0.0005436284958334678 (0.000566453% change) + iteration 112: trace = 0.0005436284958334859 (0.000566453% change) large trace change predicted (0.0021314%) linmin: converged after 2 iterations. - iteration 113: trace = 0.0005436169071213004 (0.00213176% change) + iteration 113: trace = 0.0005436169071213277 (0.00213176% change) linmin: converged after 2 iterations. - iteration 114: trace = 0.0005436159200508085 (0.000181575% change) + iteration 114: trace = 0.0005436159200508084 (0.000181575% change) large trace change predicted (0.00286192%) linmin: converged after 2 iterations. - iteration 115: trace = 0.0005436003613040285 (0.00286213% change) + iteration 115: trace = 0.0005436003613039895 (0.00286213% change) linmin: converged after 2 iterations. - iteration 116: trace = 0.0005435990227760772 (0.000246234% change) + iteration 116: trace = 0.000543599022776076 (0.000246234% change) large trace change predicted (0.000702071%) linmin: converged after 2 iterations. - iteration 117: trace = 0.0005435952063723431 (0.000702065% change) + iteration 117: trace = 0.0005435952063724004 (0.000702065% change) linmin: converged after 2 iterations. - iteration 118: trace = 0.0005435933072443747 (0.000349365% change) + iteration 118: trace = 0.0005435933072443776 (0.000349365% change) large trace change predicted (0.000866676%) linmin: converged after 2 iterations. - iteration 119: trace = 0.0005435885960693559 (0.000866676% change) + iteration 119: trace = 0.0005435885960693195 (0.000866677% change) linmin: converged after 2 iterations. - iteration 120: trace = 0.0005435874257155064 (0.000215302% change) + iteration 120: trace = 0.0005435874257155041 (0.000215302% change) large trace change predicted (0.00086939%) linmin: converged after 2 iterations. - iteration 121: trace = 0.0005435826998290416 (0.000869392% change) + iteration 121: trace = 0.0005435826998291144 (0.000869392% change) linmin: converged after 2 iterations. - iteration 122: trace = 0.0005435806841363679 (0.000370817% change) + iteration 122: trace = 0.0005435806841363681 (0.000370817% change) linmin: converged after 2 iterations. - iteration 123: trace = 0.0005435794454345423 (0.000227878% change) + iteration 123: trace = 0.000543579445434515 (0.000227878% change) linmin: converged after 2 iterations. - iteration 124: trace = 0.0005435780840929133 (0.000250441% change) + iteration 124: trace = 0.0005435780840929188 (0.000250441% change) linmin: converged after 2 iterations. - iteration 125: trace = 0.0005435754863673889 (0.000477895% change) + iteration 125: trace = 0.0005435754863674404 (0.000477895% change) linmin: converged after 2 iterations. - iteration 126: trace = 0.000543574283025115 (0.000221376% change) + iteration 126: trace = 0.0005435742830251147 (0.000221376% change) linmin: converged after 2 iterations. - iteration 127: trace = 0.0005435740402264217 (4.46671e-05% change) + iteration 127: trace = 0.0005435740402264126 (4.46671e-05% change) large trace change predicted (0.000217248%) linmin: converged after 2 iterations. - iteration 128: trace = 0.0005435728593587195 (0.000217242% change) + iteration 128: trace = 0.0005435728593587198 (0.000217242% change) linmin: converged after 2 iterations. - iteration 129: trace = 0.0005435727903938972 (1.26873e-05% change) + iteration 129: trace = 0.0005435727903939018 (1.26873e-05% change) large trace change predicted (0.000125585%) linmin: converged after 2 iterations. - iteration 130: trace = 0.0005435721077550639 (0.000125584% change) + iteration 130: trace = 0.000543572107755064 (0.000125584% change) linmin: converged after 2 iterations. - iteration 131: trace = 0.0005435720965418716 (2.06287e-06% change) + iteration 131: trace = 0.0005435720965418713 (2.06287e-06% change) large trace change predicted (1.96188e-05%) linmin: converged after 2 iterations. - iteration 132: trace = 0.0005435719898996194 (1.96188e-05% change) + iteration 132: trace = 0.0005435719898996215 (1.96188e-05% change) linmin: converged after 2 iterations. - iteration 133: trace = 0.0005435719754107097 (2.6655e-06% change) + iteration 133: trace = 0.0005435719754107114 (2.6655e-06% change) large trace change predicted (4.27192e-05%) linmin: converged after 2 iterations. - iteration 134: trace = 0.0005435717432018648 (4.27191e-05% change) + iteration 134: trace = 0.0005435717432018646 (4.27191e-05% change) linmin: converged after 2 iterations. - iteration 135: trace = 0.0005435717317225318 (2.11183e-06% change) + iteration 135: trace = 0.0005435717317225308 (2.11183e-06% change) large trace change predicted (2.06095e-05%) linmin: converged after 2 iterations. - iteration 136: trace = 0.0005435716196955803 (2.06094e-05% change) + iteration 136: trace = 0.0005435716196955804 (2.06094e-05% change) linmin: converged after 2 iterations. - iteration 137: trace = 0.0005435716102491758 (1.73784e-06% change) + iteration 137: trace = 0.0005435716102491774 (1.73784e-06% change) large trace change predicted (2.10141e-05%) linmin: converged after 2 iterations. - iteration 138: trace = 0.0005435714960225187 (2.10141e-05% change) + iteration 138: trace = 0.0005435714960225204 (2.10141e-05% change) linmin: converged after 2 iterations. - iteration 139: trace = 0.0005435714922125636 (7.00911e-07% change) + iteration 139: trace = 0.0005435714922125628 (7.00912e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159 -elapsed time for k point: 1.7857756614685059 -total elapsed time for run: 1.8067388534545898 +elapsed time for k point: 7.127559423446655 +total elapsed time for run: 7.181039094924927 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -72109,331 +68299,332 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.022458791732788086 +elapsed time for initialization: 0.05739307403564453 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. - iteration 1: trace = 0.01396274532346681 (199.998% change) + iteration 1: trace = 0.01396271777790278 (199.998% change) linmin: converged after 7 iterations. - iteration 2: trace = 0.01327678895732442 (5.03648% change) + iteration 2: trace = 0.01327684378988511 (5.03587% change) linmin: converged after 5 iterations. - iteration 3: trace = 0.01313363091101133 (1.0841% change) + iteration 3: trace = 0.01313325505801819 (1.08738% change) near maximum in trace linmin: converged after 6 iterations. - iteration 4: trace = 0.01143038892843357 (13.8678% change) + iteration 4: trace = 0.01143107373086955 (13.859% change) linmin: converged after 8 iterations. - iteration 5: trace = 0.01057238111590396 (7.79909% change) + iteration 5: trace = 0.01057169177201472 (7.81158% change) linmin: converged after 6 iterations. - iteration 6: trace = 0.01011752134392836 (4.39693% change) + iteration 6: trace = 0.01011490408595278 (4.41627% change) linmin: converged after 6 iterations. - iteration 7: trace = 0.009879432781382317 (2.38125% change) + iteration 7: trace = 0.009876993404160024 (2.38007% change) linmin: converged after 8 iterations. - iteration 8: trace = 0.008851061110265412 (10.9807% change) + iteration 8: trace = 0.008846068608234508 (11.0124% change) linmin: converged after 6 iterations. - iteration 9: trace = 0.008522952954569507 (3.777% change) + iteration 9: trace = 0.008517042221212459 (3.78995% change) linmin: converged after 5 iterations. - iteration 10: trace = 0.008335408563637261 (2.22494% change) - large trace change predicted (6.08184%) + iteration 10: trace = 0.00832626873937725 (2.26527% change) + large trace change predicted (6.09955%) linmin: converged after 8 iterations. - iteration 11: trace = 0.007087003149811437 (16.1895% change) + iteration 11: trace = 0.007074915363913492 (16.2501% change) linmin: converged after 5 iterations. - iteration 12: trace = 0.006854146056769756 (3.34057% change) + iteration 12: trace = 0.006842447679819434 (3.34069% change) linmin: converged after 5 iterations. - iteration 13: trace = 0.006657474929944862 (2.91114% change) + iteration 13: trace = 0.006644462857804606 (2.93596% change) linmin: converged after 8 iterations. - iteration 14: trace = 0.005882487151458949 (12.3603% change) + iteration 14: trace = 0.005865808909907628 (12.4482% change) linmin: converged after 5 iterations. - iteration 15: trace = 0.005708413869126732 (3.00362% change) + iteration 15: trace = 0.005690964406030228 (3.02584% change) linmin: converged after 5 iterations. - iteration 16: trace = 0.005376848409038072 (5.98209% change) + iteration 16: trace = 0.005359509169289583 (5.99893% change) linmin: converged after 6 iterations. - iteration 17: trace = 0.004576121725483166 (16.0902% change) + iteration 17: trace = 0.004560608210151183 (16.1067% change) linmin: converged after 4 iterations. - iteration 18: trace = 0.004438061817300529 (3.06317% change) + iteration 18: trace = 0.00442322091850826 (3.05855% change) linmin: converged after 3 iterations. - iteration 19: trace = 0.004383166020863904 (1.24463% change) - large trace change predicted (8.78014%) + iteration 19: trace = 0.004368098767731044 (1.25401% change) + large trace change predicted (8.81704%) linmin: converged after 6 iterations. - iteration 20: trace = 0.003741707625962468 (15.79% change) + iteration 20: trace = 0.00372589243079011 (15.8687% change) linmin: converged after 6 iterations. - iteration 21: trace = 0.003291730464672096 (12.7954% change) + iteration 21: trace = 0.003276517527354319 (12.8349% change) linmin: converged after 3 iterations. - iteration 22: trace = 0.003232963613330976 (1.80137% change) + iteration 22: trace = 0.003217890899296214 (1.80545% change) linmin: converged after 5 iterations. - iteration 23: trace = 0.003104832650860507 (4.04339% change) + iteration 23: trace = 0.0030899177284504 (4.05761% change) linmin: converged after 6 iterations. - iteration 24: trace = 0.002803732823570167 (10.192% change) + iteration 24: trace = 0.002789089266740131 (10.234% change) linmin: converged after 4 iterations. - iteration 25: trace = 0.002725499795014969 (2.8298% change) + iteration 25: trace = 0.002710905816097438 (2.84304% change) linmin: converged after 3 iterations. - iteration 26: trace = 0.002688778927662695 (1.35645% change) - large trace change predicted (6.77346%) + iteration 26: trace = 0.002674218653154006 (1.36254% change) + large trace change predicted (6.80505%) linmin: converged after 5 iterations. - iteration 27: trace = 0.002453217044062932 (9.16227% change) + iteration 27: trace = 0.002438971014234987 (9.2016% change) linmin: converged after 6 iterations. - iteration 28: trace = 0.002048239458495249 (17.9932% change) + iteration 28: trace = 0.002034189826714587 (18.0982% change) linmin: converged after 4 iterations. - iteration 29: trace = 0.001947146666345405 (5.06048% change) + iteration 29: trace = 0.001933181583158478 (5.09195% change) linmin: converged after 3 iterations. - iteration 30: trace = 0.001921857262743795 (1.30728% change) - large trace change predicted (3.48607%) + iteration 30: trace = 0.001907998976186337 (1.31119% change) + large trace change predicted (3.49571%) linmin: converged after 4 iterations. - iteration 31: trace = 0.001848427637753061 (3.89518% change) + iteration 31: trace = 0.001834919993036708 (3.90492% change) linmin: converged after 5 iterations. - iteration 32: trace = 0.001707910804402407 (7.90233% change) + iteration 32: trace = 0.001694173476497689 (7.97636% change) linmin: converged after 3 iterations. - iteration 33: trace = 0.001660392701795978 (2.82149% change) + iteration 33: trace = 0.001646416286582407 (2.85921% change) linmin: converged after 3 iterations. - iteration 34: trace = 0.00163601239841142 (1.47921% change) - large trace change predicted (5.18152%) + iteration 34: trace = 0.001622123538401464 (1.48646% change) + large trace change predicted (5.19533%) linmin: converged after 4 iterations. - iteration 35: trace = 0.001540609388946792 (6.00657% change) + iteration 35: trace = 0.001527366074215663 (6.01732% change) linmin: converged after 5 iterations. - iteration 36: trace = 0.001345179667105351 (13.5443% change) + iteration 36: trace = 0.001331717884045262 (13.6861% change) linmin: converged after 4 iterations. - iteration 37: trace = 0.001269484311269727 (5.79006% change) + iteration 37: trace = 0.001255606316122679 (5.88342% change) linmin: converged after 3 iterations. - iteration 38: trace = 0.001245954740368374 (1.87081% change) + iteration 38: trace = 0.001232184805735941 (1.88292% change) linmin: converged after 3 iterations. - iteration 39: trace = 0.001204877461275777 (3.35211% change) + iteration 39: trace = 0.001191709709315935 (3.33967% change) linmin: converged after 4 iterations. - iteration 40: trace = 0.001128884041444548 (6.51253% change) + iteration 40: trace = 0.001116235433373951 (6.54039% change) linmin: converged after 3 iterations. - iteration 41: trace = 0.001095136827422327 (3.03479% change) + iteration 41: trace = 0.001082435949649227 (3.07454% change) linmin: converged after 4 iterations. - iteration 42: trace = 0.001083916132202665 (1.02987% change) + iteration 42: trace = 0.001071218450373777 (1.04172% change) linmin: converged after 3 iterations. - iteration 43: trace = 0.001063426119037512 (1.90841% change) - large trace change predicted (5.48869%) + iteration 43: trace = 0.001050833573693442 (1.92124% change) + large trace change predicted (5.53279%) linmin: converged after 4 iterations. - iteration 44: trace = 0.0009999651606262207 (6.15113% change) + iteration 44: trace = 0.0009876540751756753 (6.19866% change) linmin: converged after 4 iterations. - iteration 45: trace = 0.0009474780948363509 (5.39036% change) + iteration 45: trace = 0.0009353335329208806 (5.44159% change) linmin: converged after 3 iterations. - iteration 46: trace = 0.0009311870209754286 (1.73432% change) + iteration 46: trace = 0.0009190905772703901 (1.75181% change) linmin: converged after 4 iterations. - iteration 47: trace = 0.0009179318604942043 (1.43367% change) - large trace change predicted (3.95373%) + iteration 47: trace = 0.0009058436032446784 (1.45178% change) + large trace change predicted (4.00783%) linmin: converged after 3 iterations. - iteration 48: trace = 0.0008800680624236033 (4.21177% change) + iteration 48: trace = 0.0008679705371263634 (4.27024% change) linmin: converged after 3 iterations. - iteration 49: trace = 0.0008282748496241889 (6.06356% change) + iteration 49: trace = 0.0008163908944770522 (6.12453% change) linmin: converged after 4 iterations. - iteration 50: trace = 0.0008098098650128671 (2.25446% change) + iteration 50: trace = 0.0007981010810871514 (2.26571% change) linmin: converged after 4 iterations. - iteration 51: trace = 0.000803727907667054 (0.753866% change) + iteration 51: trace = 0.000792080942037003 (0.757164% change) linmin: converged after 4 iterations. - iteration 52: trace = 0.0007947097633189683 (1.12837% change) - large trace change predicted (2.65329%) + iteration 52: trace = 0.0007831096983365307 (1.13907% change) + large trace change predicted (2.68696%) linmin: converged after 3 iterations. - iteration 53: trace = 0.0007730802283003459 (2.75924% change) + iteration 53: trace = 0.0007615285021529722 (2.79434% change) linmin: converged after 4 iterations. - iteration 54: trace = 0.0007567571125824832 (2.13397% change) + iteration 54: trace = 0.0007452609271087209 (2.15924% change) linmin: converged after 4 iterations. - iteration 55: trace = 0.0007514269868695347 (0.706827% change) + iteration 55: trace = 0.0007399621295160553 (0.713536% change) linmin: converged after 4 iterations. - iteration 56: trace = 0.0007468879959671537 (0.605879% change) - large trace change predicted (1.79868%) + iteration 56: trace = 0.0007354451060610017 (0.612309% change) + large trace change predicted (1.82266%) linmin: converged after 4 iterations. - iteration 57: trace = 0.00073323829387571 (1.8444% change) + iteration 57: trace = 0.0007218268493308208 (1.86901% change) linmin: converged after 3 iterations. - iteration 58: trace = 0.0007091847744003555 (3.33515% change) + iteration 58: trace = 0.0006978564989004995 (3.37686% change) linmin: converged after 4 iterations. - iteration 59: trace = 0.0006974601200729702 (1.66704% change) + iteration 59: trace = 0.0006862159288481841 (1.68208% change) linmin: converged after 4 iterations. - iteration 60: trace = 0.0006926125256631087 (0.697459% change) + iteration 60: trace = 0.0006814087151892633 (0.703002% change) linmin: converged after 4 iterations. - iteration 61: trace = 0.0006853107694293103 (1.05982% change) + iteration 61: trace = 0.0006741507190405559 (1.07085% change) linmin: converged after 4 iterations. - iteration 62: trace = 0.0006710414600158428 (2.10407% change) + iteration 62: trace = 0.0006599995940036245 (2.12137% change) linmin: converged after 4 iterations. - iteration 63: trace = 0.0006622634864719859 (1.31672% change) + iteration 63: trace = 0.0006513439268303693 (1.32012% change) linmin: converged after 4 iterations. - iteration 64: trace = 0.000659709824279411 (0.386341% change) + iteration 64: trace = 0.0006488237794450807 (0.387665% change) linmin: converged after 4 iterations. - iteration 65: trace = 0.0006578341892949849 (0.284717% change) - large trace change predicted (0.792077%) + iteration 65: trace = 0.00064694612017347 (0.289814% change) + large trace change predicted (0.810595%) linmin: converged after 4 iterations. - iteration 66: trace = 0.0006525900725874763 (0.800369% change) + iteration 66: trace = 0.0006416681505451439 (0.81917% change) linmin: converged after 4 iterations. - iteration 67: trace = 0.000642388961685999 (1.57549% change) + iteration 67: trace = 0.0006315484776447861 (1.58962% change) linmin: converged after 4 iterations. - iteration 68: trace = 0.0006367222354566554 (0.886041% change) + iteration 68: trace = 0.0006260136834758105 (0.880242% change) linmin: converged after 4 iterations. - iteration 69: trace = 0.0006343807372973155 (0.36842% change) + iteration 69: trace = 0.0006237063576216543 (0.369255% change) resetting CG direction... linmin: converged after 3 iterations. - iteration 70: trace = 0.0006336539383712605 (0.114634% change) - large trace change predicted (0.602878%) + iteration 70: trace = 0.0006229823627242839 (0.116147% change) + large trace change predicted (0.609708%) linmin: converged after 3 iterations. - iteration 71: trace = 0.0006298361502404347 (0.604324% change) - large trace change predicted (1.59666%) + iteration 71: trace = 0.00061918631339057 (0.611197% change) + large trace change predicted (1.7554%) linmin: converged after 3 iterations. - iteration 72: trace = 0.0006197950784855538 (1.60705% change) + iteration 72: trace = 0.0006083344731223986 (1.76809% change) linmin: converged after 3 iterations. - iteration 73: trace = 0.0006145237767925286 (0.854123% change) + iteration 73: trace = 0.0006039819543955261 (0.71805% change) linmin: converged after 3 iterations. - iteration 74: trace = 0.000609435291222769 (0.83148% change) - large trace change predicted (3.28752%) + iteration 74: trace = 0.0005953481801894981 (1.43977% change) linmin: converged after 3 iterations. - iteration 75: trace = 0.0005894510813689335 (3.3338% change) + iteration 75: trace = 0.0005790998597237172 (2.76697% change) linmin: converged after 4 iterations. - iteration 76: trace = 0.000573895998218523 (2.67419% change) + iteration 76: trace = 0.0005636615393707346 (2.70193% change) linmin: converged after 2 iterations. - iteration 77: trace = 0.0005734237191076151 (0.0823274% change) + iteration 77: trace = 0.0005632767884978534 (0.0682825% change) + large trace change predicted (0.15294%) linmin: converged after 3 iterations. - iteration 78: trace = 0.0005728368909269688 (0.10239% change) - large trace change predicted (0.937866%) + iteration 78: trace = 0.0005624159234675945 (0.152948% change) + large trace change predicted (0.911925%) linmin: converged after 3 iterations. - iteration 79: trace = 0.0005674860400195972 (0.93848% change) + iteration 79: trace = 0.0005573063060697906 (0.912658% change) linmin: converged after 3 iterations. - iteration 80: trace = 0.0005634781462050233 (0.708757% change) + iteration 80: trace = 0.0005534008786762212 (0.703233% change) linmin: converged after 3 iterations. - iteration 81: trace = 0.0005628279215195455 (0.115461% change) + iteration 81: trace = 0.0005527445946771431 (0.118661% change) linmin: converged after 3 iterations. - iteration 82: trace = 0.0005624017587803822 (0.0757468% change) + iteration 82: trace = 0.0005523222164213667 (0.0764439% change) linmin: converged after 3 iterations. - iteration 83: trace = 0.0005615784927467394 (0.146491% change) - large trace change predicted (0.462977%) + iteration 83: trace = 0.0005515161191776518 (0.146053% change) + large trace change predicted (0.456202%) linmin: converged after 3 iterations. - iteration 84: trace = 0.0005590077500580899 (0.458821% change) + iteration 84: trace = 0.0005490276986239354 (0.452217% change) linmin: converged after 3 iterations. - iteration 85: trace = 0.0005587368022629768 (0.0484812% change) + iteration 85: trace = 0.0005486976231422832 (0.0601381% change) linmin: converged after 3 iterations. - iteration 86: trace = 0.0005585444875551931 (0.0344255% change) - large trace change predicted (0.09806%) + iteration 86: trace = 0.0005485471397126648 (0.0274293% change) + large trace change predicted (0.104834%) linmin: converged after 3 iterations. - iteration 87: trace = 0.0005579974550874225 (0.0979869% change) + iteration 87: trace = 0.0005479727715412573 (0.104762% change) linmin: converged after 2 iterations. - iteration 88: trace = 0.0005574604311120414 (0.0962876% change) + iteration 88: trace = 0.0005475046960546196 (0.085456% change) linmin: converged after 2 iterations. - iteration 89: trace = 0.0005573550114442508 (0.0189125% change) + iteration 89: trace = 0.0005473526468879738 (0.0277752% change) linmin: converged after 2 iterations. - iteration 90: trace = 0.0005572367121219963 (0.0212274% change) - large trace change predicted (0.173746%) + iteration 90: trace = 0.0005472800290592304 (0.013268% change) + large trace change predicted (0.180543%) linmin: converged after 4 iterations. - iteration 91: trace = 0.0005562649121706465 (0.174548% change) + iteration 91: trace = 0.0005462881158605686 (0.181409% change) linmin: converged after 2 iterations. - iteration 92: trace = 0.000556015545082571 (0.0448389% change) + iteration 92: trace = 0.0005461207310427088 (0.0306451% change) linmin: converged after 2 iterations. - iteration 93: trace = 0.0005558214414858337 (0.0349158% change) + iteration 93: trace = 0.000545850569814016 (0.0494814% change) linmin: converged after 2 iterations. - iteration 94: trace = 0.0005556746092447472 (0.0264207% change) - large trace change predicted (0.0768704%) + iteration 94: trace = 0.0005457798750798984 (0.0129521% change) + large trace change predicted (0.0900923%) linmin: converged after 3 iterations. - iteration 95: trace = 0.0005552475305168484 (0.0768872% change) + iteration 95: trace = 0.0005452882561513524 (0.090117% change) linmin: converged after 2 iterations. - iteration 96: trace = 0.0005549565391504256 (0.0524212% change) + iteration 96: trace = 0.0005451436125397295 (0.0265296% change) + large trace change predicted (0.0932169%) linmin: converged after 2 iterations. - iteration 97: trace = 0.0005545759625785963 (0.0686012% change) + iteration 97: trace = 0.0005446353772777359 (0.0932731% change) linmin: converged after 2 iterations. - iteration 98: trace = 0.0005545580258696537 (0.00323436% change) - large trace change predicted (0.0788885%) + iteration 98: trace = 0.0005446247544363821 (0.00195047% change) + large trace change predicted (0.0828773%) linmin: converged after 3 iterations. - iteration 99: trace = 0.00055411846426551 (0.0792948% change) + iteration 99: trace = 0.0005441711389408305 (0.0833242% change) linmin: converged after 2 iterations. - iteration 100: trace = 0.0005540827416458937 (0.00644696% change) - large trace change predicted (0.0221441%) + iteration 100: trace = 0.0005441562712779041 (0.0027322% change) + large trace change predicted (0.0234901%) linmin: converged after 2 iterations. - iteration 101: trace = 0.0005539598645882885 (0.0221791% change) + iteration 101: trace = 0.0005440282539341561 (0.0235286% change) linmin: converged after 2 iterations. - iteration 102: trace = 0.0005539509641368791 (0.00160671% change) - large trace change predicted (0.0194904%) + iteration 102: trace = 0.0005440227592449945 (0.00101001% change) + large trace change predicted (0.0204397%) linmin: converged after 2 iterations. - iteration 103: trace = 0.0005538429308002455 (0.0195042% change) + iteration 103: trace = 0.0005439114908006469 (0.020455% change) linmin: converged after 2 iterations. - iteration 104: trace = 0.0005538212510818653 (0.00391449% change) - large trace change predicted (0.00948118%) - linmin: converged after 3 iterations. - iteration 105: trace = 0.0005537687493456982 (0.00948036% change) + iteration 104: trace = 0.0005439052442337781 (0.00114846% change) + large trace change predicted (0.0118837%) linmin: converged after 3 iterations. - iteration 106: trace = 0.0005537545264203815 (0.00256842% change) - large trace change predicted (0.0139068%) + iteration 105: trace = 0.0005438406201927324 (0.0118822% change) + linmin: converged after 2 iterations. + iteration 106: trace = 0.0005438370058253132 (0.000664603% change) + large trace change predicted (0.0154666%) linmin: converged after 3 iterations. - iteration 107: trace = 0.0005536775826951027 (0.0138959% change) + iteration 107: trace = 0.0005437529695821829 (0.0154537% change) linmin: converged after 2 iterations. - iteration 108: trace = 0.000553669971418078 (0.00137469% change) - large trace change predicted (0.0109183%) + iteration 108: trace = 0.0005437511838421435 (0.000328411% change) + large trace change predicted (0.0115138%) linmin: converged after 3 iterations. - iteration 109: trace = 0.0005536095419715826 (0.0109149% change) + iteration 109: trace = 0.0005436886018828735 (0.01151% change) + linmin: converged after 2 iterations. + iteration 110: trace = 0.0005436852056839156 (0.000624661% change) + large trace change predicted (0.00985811%) + linmin: converged after 2 iterations. + iteration 111: trace = 0.0005436315752169877 (0.00986474% change) linmin: converged after 2 iterations. - iteration 110: trace = 0.0005536073766916744 (0.000391121% change) - large trace change predicted (0.00997282%) + iteration 112: trace = 0.0005436284958098709 (0.000566453% change) + large trace change predicted (0.0021314%) linmin: converged after 2 iterations. - iteration 111: trace = 0.0005535521304989175 (0.00997981% change) + iteration 113: trace = 0.0005436169070977313 (0.00213176% change) linmin: converged after 2 iterations. - iteration 112: trace = 0.0005535500119166871 (0.000382726% change) - large trace change predicted (0.00221526%) + iteration 114: trace = 0.0005436159200272163 (0.000181575% change) + large trace change predicted (0.00286192%) linmin: converged after 2 iterations. - iteration 113: trace = 0.0005535377473214596 (0.00221565% change) + iteration 115: trace = 0.0005436003612805528 (0.00286213% change) linmin: converged after 2 iterations. - iteration 114: trace = 0.0005535371237610948 (0.00011265% change) - large trace change predicted (0.00299101%) + iteration 116: trace = 0.0005435990227524811 (0.000246234% change) + large trace change predicted (0.000702071%) linmin: converged after 2 iterations. - iteration 115: trace = 0.0005535205665764986 (0.00299121% change) + iteration 117: trace = 0.0005435952063488047 (0.000702065% change) linmin: converged after 2 iterations. - iteration 116: trace = 0.0005535202706804489 (5.34571e-05% change) - large trace change predicted (0.00100099%) + iteration 118: trace = 0.0005435933072207798 (0.000349365% change) + large trace change predicted (0.000866676%) linmin: converged after 2 iterations. - iteration 117: trace = 0.0005535147301455126 (0.00100097% change) + iteration 119: trace = 0.0005435885960458573 (0.000866676% change) linmin: converged after 2 iterations. - iteration 118: trace = 0.0005535144229078263 (5.55067e-05% change) - large trace change predicted (0.00104748%) + iteration 120: trace = 0.0005435874256919092 (0.000215302% change) + large trace change predicted (0.00086939%) linmin: converged after 2 iterations. - iteration 119: trace = 0.0005535086249695093 (0.00104748% change) + iteration 121: trace = 0.0005435826998055212 (0.000869392% change) linmin: converged after 2 iterations. - iteration 120: trace = 0.0005535083269111632 (5.38489e-05% change) - large trace change predicted (0.00126845%) + iteration 122: trace = 0.0005435806841127807 (0.000370817% change) linmin: converged after 2 iterations. - iteration 121: trace = 0.0005535013059522839 (0.00126845% change) + iteration 123: trace = 0.0005435794454110303 (0.000227878% change) linmin: converged after 2 iterations. - iteration 122: trace = 0.0005535011997656965 (1.91845e-05% change) - large trace change predicted (0.000431366%) + iteration 124: trace = 0.0005435780840693199 (0.000250441% change) linmin: converged after 2 iterations. - iteration 123: trace = 0.0005534988122002893 (0.000431358% change) + iteration 125: trace = 0.0005435754863438494 (0.000477895% change) linmin: converged after 2 iterations. - iteration 124: trace = 0.0005534985693850606 (4.38692e-05% change) - large trace change predicted (0.000714089%) + iteration 126: trace = 0.0005435742830015227 (0.000221376% change) linmin: converged after 2 iterations. - iteration 125: trace = 0.0005534946171050815 (0.000714057% change) + iteration 127: trace = 0.0005435740402028591 (4.46671e-05% change) + large trace change predicted (0.000217248%) linmin: converged after 2 iterations. - iteration 126: trace = 0.0005534945841831557 (5.94801e-06% change) - large trace change predicted (0.000246508%) + iteration 128: trace = 0.0005435728593351294 (0.000217242% change) linmin: converged after 2 iterations. - iteration 127: trace = 0.0005534932198247533 (0.000246499% change) + iteration 129: trace = 0.0005435727903703103 (1.26873e-05% change) + large trace change predicted (0.000125585%) linmin: converged after 2 iterations. - iteration 128: trace = 0.000553493132170315 (1.58366e-05% change) - large trace change predicted (0.000135235%) + iteration 130: trace = 0.0005435721077314741 (0.000125584% change) linmin: converged after 2 iterations. - iteration 129: trace = 0.0005534923836579039 (0.000135234% change) + iteration 131: trace = 0.000543572096518282 (2.06287e-06% change) + large trace change predicted (1.96188e-05%) linmin: converged after 2 iterations. - iteration 130: trace = 0.0005534923401820729 (7.85482e-06% change) - large trace change predicted (2.09979e-05%) + iteration 132: trace = 0.0005435719898760302 (1.96188e-05% change) linmin: converged after 2 iterations. - iteration 131: trace = 0.0005534922239600058 (2.0998e-05% change) + iteration 133: trace = 0.0005435719753871262 (2.6655e-06% change) + large trace change predicted (4.27192e-05%) linmin: converged after 2 iterations. - iteration 132: trace = 0.0005534922081138478 (2.86294e-06% change) - large trace change predicted (4.04808e-05%) + iteration 134: trace = 0.0005435717431782754 (4.27191e-05% change) linmin: converged after 2 iterations. - iteration 133: trace = 0.0005534919840565487 (4.04807e-05% change) - linmin: converged after 1 iterations. - iteration 134: trace = 0.0005534919663682659 (3.19576e-06% change) - large trace change predicted (2.36162e-05%) + iteration 135: trace = 0.0005435717316989412 (2.11183e-06% change) + large trace change predicted (2.06095e-05%) linmin: converged after 2 iterations. - iteration 135: trace = 0.0005534918356550618 (2.36161e-05% change) + iteration 136: trace = 0.0005435716196719897 (2.06094e-05% change) linmin: converged after 2 iterations. - iteration 136: trace = 0.0005534918255761885 (1.82096e-06% change) - large trace change predicted (2.26881e-05%) + iteration 137: trace = 0.000543571610225586 (1.73784e-06% change) + large trace change predicted (2.10141e-05%) linmin: converged after 2 iterations. - iteration 137: trace = 0.0005534916999995888 (2.26881e-05% change) + iteration 138: trace = 0.0005435714959989322 (2.10141e-05% change) linmin: converged after 2 iterations. - iteration 138: trace = 0.0005534916950358841 (8.96798e-07% change) -Finished solving for bands 1 to 1 after 138 iterations. -tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.313822 -elapsed time for k point: 1.7718098163604736 -total elapsed time for run: 1.7943987846374512 + iteration 139: trace = 0.0005435714921889735 (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: 7.355654001235962 +total elapsed time for run: 7.413188934326172 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -72513,332 +68704,332 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.02042841911315918 +elapsed time for initialization: 0.07356119155883789 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. - iteration 1: trace = 0.01396271777790278 (199.998% change) + iteration 1: trace = 0.0139627177779028 (199.998% change) linmin: converged after 7 iterations. - iteration 2: trace = 0.01327684378988491 (5.03587% change) + iteration 2: trace = 0.01327684378988493 (5.03587% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313325505801898 (1.08738% change) near maximum in trace linmin: converged after 6 iterations. - iteration 4: trace = 0.0114310737308695 (13.859% change) + iteration 4: trace = 0.01143107373086652 (13.859% change) linmin: converged after 8 iterations. - iteration 5: trace = 0.01057169177201646 (7.81158% change) + iteration 5: trace = 0.01057169177201078 (7.81158% change) linmin: converged after 6 iterations. - iteration 6: trace = 0.01011490408595845 (4.41627% change) + iteration 6: trace = 0.01011490408595853 (4.41627% change) linmin: converged after 6 iterations. - iteration 7: trace = 0.009876993404164151 (2.38007% change) + iteration 7: trace = 0.009876993404159226 (2.38007% change) linmin: converged after 8 iterations. - iteration 8: trace = 0.008846068608242092 (11.0124% change) + iteration 8: trace = 0.008846068608236137 (11.0124% change) linmin: converged after 6 iterations. - iteration 9: trace = 0.008517042221224369 (3.78995% change) + iteration 9: trace = 0.008517042221222943 (3.78995% change) linmin: converged after 5 iterations. - iteration 10: trace = 0.00832626873939284 (2.26527% change) + iteration 10: trace = 0.008326268739392689 (2.26527% change) large trace change predicted (6.09955%) linmin: converged after 8 iterations. - iteration 11: trace = 0.007074915363951925 (16.2501% change) + iteration 11: trace = 0.007074915363947475 (16.2501% change) linmin: converged after 5 iterations. - iteration 12: trace = 0.006842447679848838 (3.34069% change) + iteration 12: trace = 0.006842447679844602 (3.34069% change) linmin: converged after 5 iterations. - iteration 13: trace = 0.006644462857865458 (2.93596% change) + iteration 13: trace = 0.006644462857865442 (2.93596% change) linmin: converged after 8 iterations. - iteration 14: trace = 0.005865808909926261 (12.4482% change) + iteration 14: trace = 0.005865808909925974 (12.4482% change) linmin: converged after 5 iterations. - iteration 15: trace = 0.005690964406031785 (3.02584% change) + iteration 15: trace = 0.005690964406030207 (3.02584% change) linmin: converged after 5 iterations. - iteration 16: trace = 0.005359509169313643 (5.99893% change) + iteration 16: trace = 0.005359509169316294 (5.99893% change) linmin: converged after 6 iterations. - iteration 17: trace = 0.004560608210186273 (16.1067% change) + iteration 17: trace = 0.004560608210191163 (16.1067% change) linmin: converged after 4 iterations. - iteration 18: trace = 0.004423220918553953 (3.05855% change) + iteration 18: trace = 0.004423220918555635 (3.05855% change) linmin: converged after 3 iterations. - iteration 19: trace = 0.004368098767771484 (1.25401% change) + iteration 19: trace = 0.004368098767774342 (1.25401% change) large trace change predicted (8.81704%) linmin: converged after 6 iterations. - iteration 20: trace = 0.003725892430766089 (15.8687% change) + iteration 20: trace = 0.003725892430785343 (15.8687% change) linmin: converged after 6 iterations. - iteration 21: trace = 0.003276517527371248 (12.8349% change) + iteration 21: trace = 0.003276517527378326 (12.8349% change) linmin: converged after 3 iterations. - iteration 22: trace = 0.003217890899321256 (1.80545% change) + iteration 22: trace = 0.003217890899326027 (1.80545% change) linmin: converged after 5 iterations. - iteration 23: trace = 0.00308991772844423 (4.05761% change) + iteration 23: trace = 0.003089917728457939 (4.05761% change) linmin: converged after 6 iterations. - iteration 24: trace = 0.002789089266756519 (10.234% change) + iteration 24: trace = 0.002789089266763355 (10.234% change) linmin: converged after 4 iterations. - iteration 25: trace = 0.002710905816141527 (2.84304% change) + iteration 25: trace = 0.002710905816140304 (2.84304% change) linmin: converged after 3 iterations. - iteration 26: trace = 0.002674218653192085 (1.36254% change) + iteration 26: trace = 0.002674218653192409 (1.36254% change) large trace change predicted (6.80505%) linmin: converged after 5 iterations. - iteration 27: trace = 0.002438971014189333 (9.2016% change) + iteration 27: trace = 0.002438971014211682 (9.2016% change) linmin: converged after 6 iterations. - iteration 28: trace = 0.002034189826698968 (18.0982% change) + iteration 28: trace = 0.002034189826712717 (18.0982% change) linmin: converged after 4 iterations. - iteration 29: trace = 0.001933181583176571 (5.09195% change) + iteration 29: trace = 0.001933181583181567 (5.09195% change) linmin: converged after 3 iterations. - iteration 30: trace = 0.00190799897620217 (1.31119% change) + iteration 30: trace = 0.001907998976207921 (1.31119% change) large trace change predicted (3.49571%) linmin: converged after 4 iterations. - iteration 31: trace = 0.001834919993028385 (3.90492% change) + iteration 31: trace = 0.001834919993040527 (3.90492% change) linmin: converged after 5 iterations. - iteration 32: trace = 0.00169417347652804 (7.97636% change) + iteration 32: trace = 0.001694173476528172 (7.97636% change) linmin: converged after 3 iterations. - iteration 33: trace = 0.001646416286642192 (2.85921% change) + iteration 33: trace = 0.00164641628663374 (2.85921% change) linmin: converged after 3 iterations. - iteration 34: trace = 0.001622123538455565 (1.48646% change) + iteration 34: trace = 0.001622123538448661 (1.48646% change) large trace change predicted (5.19533%) linmin: converged after 4 iterations. - iteration 35: trace = 0.001527366074215025 (6.01732% change) + iteration 35: trace = 0.001527366074223171 (6.01732% change) linmin: converged after 5 iterations. - iteration 36: trace = 0.001331717884077404 (13.6861% change) + iteration 36: trace = 0.001331717884074668 (13.6861% change) linmin: converged after 4 iterations. - iteration 37: trace = 0.001255606316203367 (5.88342% change) + iteration 37: trace = 0.001255606316186353 (5.88342% change) linmin: converged after 3 iterations. - iteration 38: trace = 0.001232184805812728 (1.88292% change) + iteration 38: trace = 0.00123218480579704 (1.88292% change) linmin: converged after 3 iterations. - iteration 39: trace = 0.001191709709351213 (3.33967% change) + iteration 39: trace = 0.001191709709348205 (3.33967% change) linmin: converged after 4 iterations. - iteration 40: trace = 0.001116235433389698 (6.54039% change) + iteration 40: trace = 0.001116235433393041 (6.54039% change) linmin: converged after 3 iterations. - iteration 41: trace = 0.001082435949684311 (3.07454% change) + iteration 41: trace = 0.001082435949682115 (3.07454% change) linmin: converged after 4 iterations. - iteration 42: trace = 0.001071218450412578 (1.04172% change) + iteration 42: trace = 0.001071218450409275 (1.04172% change) linmin: converged after 3 iterations. - iteration 43: trace = 0.001050833573725574 (1.92124% change) + iteration 43: trace = 0.001050833573723999 (1.92124% change) large trace change predicted (5.53279%) linmin: converged after 4 iterations. - iteration 44: trace = 0.0009876540751933365 (6.19866% change) + iteration 44: trace = 0.0009876540751955294 (6.19866% change) linmin: converged after 4 iterations. - iteration 45: trace = 0.0009353335329439094 (5.44159% change) + iteration 45: trace = 0.0009353335329446143 (5.44159% change) linmin: converged after 3 iterations. - iteration 46: trace = 0.0009190905772966321 (1.75181% change) + iteration 46: trace = 0.0009190905772964061 (1.75181% change) linmin: converged after 4 iterations. - iteration 47: trace = 0.0009058436032717826 (1.45178% change) + iteration 47: trace = 0.0009058436032710833 (1.45178% change) large trace change predicted (4.00783%) linmin: converged after 3 iterations. - iteration 48: trace = 0.0008679705371545801 (4.27024% change) + iteration 48: trace = 0.0008679705371529364 (4.27024% change) linmin: converged after 3 iterations. - iteration 49: trace = 0.0008163908945060646 (6.12453% change) + iteration 49: trace = 0.000816390894504429 (6.12453% change) linmin: converged after 4 iterations. - iteration 50: trace = 0.000798101081114812 (2.26571% change) + iteration 50: trace = 0.000798101081113959 (2.26571% change) linmin: converged after 4 iterations. - iteration 51: trace = 0.0007920809420631715 (0.757164% change) + iteration 51: trace = 0.0007920809420628415 (0.757164% change) linmin: converged after 4 iterations. - iteration 52: trace = 0.0007831096983602546 (1.13907% change) + iteration 52: trace = 0.0007831096983605813 (1.13907% change) large trace change predicted (2.68696%) linmin: converged after 3 iterations. - iteration 53: trace = 0.0007615285021775451 (2.79434% change) + iteration 53: trace = 0.0007615285021774638 (2.79434% change) linmin: converged after 4 iterations. - iteration 54: trace = 0.0007452609271389511 (2.15924% change) + iteration 54: trace = 0.0007452609271372272 (2.15924% change) linmin: converged after 4 iterations. - iteration 55: trace = 0.0007399621295476514 (0.713536% change) + iteration 55: trace = 0.0007399621295455399 (0.713536% change) linmin: converged after 4 iterations. - iteration 56: trace = 0.0007354451060917822 (0.612309% change) + iteration 56: trace = 0.0007354451060898546 (0.612309% change) large trace change predicted (1.82266%) linmin: converged after 4 iterations. - iteration 57: trace = 0.0007218268493590878 (1.86901% change) + iteration 57: trace = 0.0007218268493576563 (1.86901% change) linmin: converged after 3 iterations. - iteration 58: trace = 0.0006978564989339716 (3.37686% change) + iteration 58: trace = 0.0006978564989307491 (3.37686% change) linmin: converged after 4 iterations. - iteration 59: trace = 0.0006862159288864979 (1.68208% change) + iteration 59: trace = 0.0006862159288818381 (1.68208% change) linmin: converged after 4 iterations. - iteration 60: trace = 0.0006814087152271418 (0.703002% change) + iteration 60: trace = 0.0006814087152226172 (0.703002% change) linmin: converged after 4 iterations. - iteration 61: trace = 0.000674150719073478 (1.07085% change) + iteration 61: trace = 0.0006741507190704368 (1.07085% change) linmin: converged after 4 iterations. - iteration 62: trace = 0.000659999594029403 (2.12137% change) + iteration 62: trace = 0.0006599995940285961 (2.12137% change) linmin: converged after 4 iterations. - iteration 63: trace = 0.0006513439268553819 (1.32012% change) + iteration 63: trace = 0.0006513439268549323 (1.32012% change) linmin: converged after 4 iterations. - iteration 64: trace = 0.0006488237794704081 (0.387665% change) + iteration 64: trace = 0.0006488237794698901 (0.387665% change) linmin: converged after 4 iterations. - iteration 65: trace = 0.0006469461201992004 (0.289814% change) + iteration 65: trace = 0.0006469461201985443 (0.289814% change) large trace change predicted (0.810595%) linmin: converged after 4 iterations. - iteration 66: trace = 0.0006416681505717652 (0.81917% change) + iteration 66: trace = 0.0006416681505707382 (0.81917% change) linmin: converged after 4 iterations. - iteration 67: trace = 0.0006315484776703385 (1.58962% change) + iteration 67: trace = 0.0006315484776695918 (1.58962% change) linmin: converged after 4 iterations. - iteration 68: trace = 0.0006260136834994107 (0.880242% change) + iteration 68: trace = 0.0006260136834993007 (0.880242% change) linmin: converged after 4 iterations. - iteration 69: trace = 0.000623706357644955 (0.369255% change) + iteration 69: trace = 0.0006237063576449252 (0.369255% change) resetting CG direction... linmin: converged after 3 iterations. - iteration 70: trace = 0.0006229823627476594 (0.116147% change) + iteration 70: trace = 0.0006229823627475973 (0.116147% change) large trace change predicted (0.609708%) linmin: converged after 3 iterations. - iteration 71: trace = 0.0006191863134140179 (0.611197% change) + iteration 71: trace = 0.0006191863134139081 (0.611197% change) large trace change predicted (1.7554%) linmin: converged after 3 iterations. - iteration 72: trace = 0.0006083344731425919 (1.76809% change) + iteration 72: trace = 0.0006083344731415858 (1.76809% change) linmin: converged after 3 iterations. - iteration 73: trace = 0.0006039819544212199 (0.71805% change) + iteration 73: trace = 0.000603981954420379 (0.71805% change) linmin: converged after 3 iterations. - iteration 74: trace = 0.0005953481801851204 (1.43977% change) + iteration 74: trace = 0.00059534818017693 (1.43977% change) linmin: converged after 3 iterations. - iteration 75: trace = 0.0005790998597526523 (2.76697% change) + iteration 75: trace = 0.0005790998597506539 (2.76697% change) linmin: converged after 4 iterations. - iteration 76: trace = 0.0005636615393937226 (2.70193% change) + iteration 76: trace = 0.0005636615393934356 (2.70193% change) linmin: converged after 2 iterations. - iteration 77: trace = 0.0005632767885226015 (0.0682825% change) + iteration 77: trace = 0.000563276788521786 (0.0682825% change) large trace change predicted (0.15294%) linmin: converged after 3 iterations. - iteration 78: trace = 0.0005624159234891336 (0.152948% change) + iteration 78: trace = 0.0005624159234883064 (0.152948% change) large trace change predicted (0.911925%) linmin: converged after 3 iterations. - iteration 79: trace = 0.0005573063060984972 (0.912658% change) + iteration 79: trace = 0.00055730630609639 (0.912658% change) linmin: converged after 3 iterations. - iteration 80: trace = 0.0005534008786979551 (0.703233% change) + iteration 80: trace = 0.00055340087869916 (0.703233% change) linmin: converged after 3 iterations. - iteration 81: trace = 0.0005527445947018674 (0.118661% change) + iteration 81: trace = 0.0005527445947010485 (0.118661% change) linmin: converged after 3 iterations. - iteration 82: trace = 0.0005523222164449861 (0.0764439% change) + iteration 82: trace = 0.0005523222164451261 (0.0764439% change) linmin: converged after 3 iterations. - iteration 83: trace = 0.0005515161192022787 (0.146053% change) + iteration 83: trace = 0.000551516119201459 (0.146053% change) large trace change predicted (0.456202%) linmin: converged after 3 iterations. - iteration 84: trace = 0.0005490276986448244 (0.452217% change) + iteration 84: trace = 0.0005490276986455809 (0.452217% change) linmin: converged after 3 iterations. - iteration 85: trace = 0.0005486976231663844 (0.0601381% change) + iteration 85: trace = 0.000548697623165681 (0.0601381% change) linmin: converged after 3 iterations. - iteration 86: trace = 0.0005485471397361475 (0.0274293% change) + iteration 86: trace = 0.0005485471397359496 (0.0274293% change) large trace change predicted (0.104834%) linmin: converged after 3 iterations. - iteration 87: trace = 0.0005479727715651105 (0.104762% change) + iteration 87: trace = 0.0005479727715644714 (0.104762% change) linmin: converged after 2 iterations. - iteration 88: trace = 0.0005475046960760042 (0.085456% change) + iteration 88: trace = 0.0005475046960759677 (0.085456% change) linmin: converged after 2 iterations. - iteration 89: trace = 0.0005473526469120577 (0.0277752% change) + iteration 89: trace = 0.0005473526469113653 (0.0277752% change) linmin: converged after 2 iterations. - iteration 90: trace = 0.0005472800290825545 (0.013268% change) + iteration 90: trace = 0.0005472800290821931 (0.013268% change) large trace change predicted (0.180543%) linmin: converged after 4 iterations. - iteration 91: trace = 0.0005462881158847318 (0.181409% change) + iteration 91: trace = 0.0005462881158840343 (0.181409% change) linmin: converged after 2 iterations. - iteration 92: trace = 0.0005461207310630182 (0.0306451% change) + iteration 92: trace = 0.0005461207310628973 (0.0306451% change) linmin: converged after 2 iterations. - iteration 93: trace = 0.000545850569838275 (0.0494814% change) + iteration 93: trace = 0.0005458505698375711 (0.0494814% change) linmin: converged after 2 iterations. - iteration 94: trace = 0.0005457798751032034 (0.0129521% change) + iteration 94: trace = 0.0005457798751028146 (0.0129521% change) large trace change predicted (0.0900923%) linmin: converged after 3 iterations. - iteration 95: trace = 0.0005452882561753553 (0.090117% change) + iteration 95: trace = 0.0005452882561746697 (0.090117% change) linmin: converged after 2 iterations. - iteration 96: trace = 0.0005451436125577784 (0.0265296% change) + iteration 96: trace = 0.0005451436125578125 (0.0265296% change) large trace change predicted (0.0932169%) linmin: converged after 2 iterations. - iteration 97: trace = 0.0005446353773016382 (0.0932731% change) + iteration 97: trace = 0.0005446353773009658 (0.0932731% change) linmin: converged after 2 iterations. - iteration 98: trace = 0.000544624754460285 (0.00195047% change) + iteration 98: trace = 0.0005446247544596131 (0.00195047% change) large trace change predicted (0.0828773%) linmin: converged after 3 iterations. - iteration 99: trace = 0.000544171138964733 (0.0833242% change) + iteration 99: trace = 0.000544171138964205 (0.0833242% change) linmin: converged after 2 iterations. - iteration 100: trace = 0.0005441562713014224 (0.0027322% change) + iteration 100: trace = 0.0005441562713009068 (0.0027322% change) large trace change predicted (0.0234901%) linmin: converged after 2 iterations. - iteration 101: trace = 0.0005440282539580667 (0.0235286% change) + iteration 101: trace = 0.0005440282539574001 (0.0235286% change) linmin: converged after 2 iterations. - iteration 102: trace = 0.0005440227592689511 (0.00101001% change) + iteration 102: trace = 0.0005440227592682754 (0.00101001% change) large trace change predicted (0.0204397%) linmin: converged after 2 iterations. - iteration 103: trace = 0.0005439114908245811 (0.020455% change) + iteration 103: trace = 0.0005439114908239274 (0.020455% change) linmin: converged after 2 iterations. - iteration 104: trace = 0.0005439052442574365 (0.00114846% change) + iteration 104: trace = 0.0005439052442567925 (0.00114846% change) large trace change predicted (0.0118837%) linmin: converged after 3 iterations. - iteration 105: trace = 0.0005438406202166483 (0.0118822% change) + iteration 105: trace = 0.0005438406202159833 (0.0118822% change) linmin: converged after 2 iterations. - iteration 106: trace = 0.0005438370058492213 (0.000664603% change) + iteration 106: trace = 0.0005438370058485623 (0.000664603% change) large trace change predicted (0.0154666%) linmin: converged after 3 iterations. - iteration 107: trace = 0.000543752969606081 (0.0154537% change) + iteration 107: trace = 0.0005437529696053936 (0.0154537% change) linmin: converged after 2 iterations. - iteration 108: trace = 0.0005437511838659896 (0.000328411% change) + iteration 108: trace = 0.0005437511838653032 (0.000328411% change) large trace change predicted (0.0115138%) linmin: converged after 3 iterations. - iteration 109: trace = 0.0005436886019066989 (0.01151% change) + iteration 109: trace = 0.0005436886019060305 (0.01151% change) linmin: converged after 2 iterations. - iteration 110: trace = 0.0005436852057078555 (0.000624661% change) + iteration 110: trace = 0.0005436852057071648 (0.000624661% change) large trace change predicted (0.00985811%) linmin: converged after 2 iterations. - iteration 111: trace = 0.0005436315752406818 (0.00986474% change) + iteration 111: trace = 0.0005436315752400133 (0.00986474% change) linmin: converged after 2 iterations. - iteration 112: trace = 0.0005436284958338378 (0.000566453% change) + iteration 112: trace = 0.0005436284958331564 (0.000566453% change) large trace change predicted (0.0021314%) linmin: converged after 2 iterations. - iteration 113: trace = 0.0005436169071216281 (0.00213176% change) + iteration 113: trace = 0.0005436169071209475 (0.00213176% change) linmin: converged after 2 iterations. - iteration 114: trace = 0.0005436159200511556 (0.000181575% change) + iteration 114: trace = 0.0005436159200504625 (0.000181575% change) large trace change predicted (0.00286192%) linmin: converged after 2 iterations. - iteration 115: trace = 0.0005436003613043309 (0.00286213% change) + iteration 115: trace = 0.000543600361303647 (0.00286213% change) linmin: converged after 2 iterations. - iteration 116: trace = 0.0005435990227764261 (0.000246234% change) + iteration 116: trace = 0.0005435990227757318 (0.000246234% change) large trace change predicted (0.000702071%) linmin: converged after 2 iterations. - iteration 117: trace = 0.0005435952063726551 (0.000702065% change) + iteration 117: trace = 0.0005435952063720037 (0.000702065% change) linmin: converged after 2 iterations. - iteration 118: trace = 0.0005435933072447255 (0.000349365% change) + iteration 118: trace = 0.0005435933072440354 (0.000349365% change) large trace change predicted (0.000866676%) linmin: converged after 2 iterations. - iteration 119: trace = 0.0005435885960696665 (0.000866677% change) + iteration 119: trace = 0.0005435885960689741 (0.000866677% change) linmin: converged after 2 iterations. - iteration 120: trace = 0.0005435874257158562 (0.000215302% change) + iteration 120: trace = 0.0005435874257151635 (0.000215302% change) large trace change predicted (0.00086939%) linmin: converged after 2 iterations. - iteration 121: trace = 0.0005435826998293409 (0.000869392% change) + iteration 121: trace = 0.0005435826998287078 (0.000869392% change) linmin: converged after 2 iterations. - iteration 122: trace = 0.0005435806841367159 (0.000370817% change) + iteration 122: trace = 0.0005435806841360211 (0.000370817% change) linmin: converged after 2 iterations. - iteration 123: trace = 0.0005435794454348627 (0.000227878% change) + iteration 123: trace = 0.0005435794454341686 (0.000227878% change) linmin: converged after 2 iterations. - iteration 124: trace = 0.0005435780840932716 (0.000250441% change) + iteration 124: trace = 0.0005435780840925743 (0.000250441% change) linmin: converged after 2 iterations. - iteration 125: trace = 0.0005435754863677042 (0.000477895% change) + iteration 125: trace = 0.0005435754863670571 (0.000477895% change) linmin: converged after 2 iterations. - iteration 126: trace = 0.0005435742830254604 (0.000221376% change) + iteration 126: trace = 0.0005435742830247655 (0.000221376% change) linmin: converged after 2 iterations. - iteration 127: trace = 0.0005435740402267594 (4.46671e-05% change) + iteration 127: trace = 0.0005435740402260683 (4.46671e-05% change) large trace change predicted (0.000217248%) linmin: converged after 2 iterations. - iteration 128: trace = 0.0005435728593590648 (0.000217242% change) + iteration 128: trace = 0.0005435728593583732 (0.000217242% change) linmin: converged after 2 iterations. - iteration 129: trace = 0.0005435727903942399 (1.26873e-05% change) + iteration 129: trace = 0.0005435727903935509 (1.26873e-05% change) large trace change predicted (0.000125585%) linmin: converged after 2 iterations. - iteration 130: trace = 0.000543572107755412 (0.000125584% change) + iteration 130: trace = 0.000543572107754718 (0.000125584% change) linmin: converged after 2 iterations. - iteration 131: trace = 0.0005435720965422173 (2.06287e-06% change) + iteration 131: trace = 0.0005435720965415235 (2.06287e-06% change) large trace change predicted (1.96188e-05%) linmin: converged after 2 iterations. - iteration 132: trace = 0.0005435719898999652 (1.96188e-05% change) + iteration 132: trace = 0.0005435719898992722 (1.96188e-05% change) linmin: converged after 2 iterations. - iteration 133: trace = 0.0005435719754110567 (2.6655e-06% change) + iteration 133: trace = 0.0005435719754103634 (2.6655e-06% change) large trace change predicted (4.27192e-05%) linmin: converged after 2 iterations. - iteration 134: trace = 0.0005435717432022136 (4.27191e-05% change) + iteration 134: trace = 0.0005435717432015197 (4.27191e-05% change) linmin: converged after 2 iterations. - iteration 135: trace = 0.00054357173172288 (2.11183e-06% change) + iteration 135: trace = 0.0005435717317221865 (2.11183e-06% change) large trace change predicted (2.06095e-05%) linmin: converged after 2 iterations. - iteration 136: trace = 0.000543571619695929 (2.06094e-05% change) + iteration 136: trace = 0.0005435716196952311 (2.06094e-05% change) linmin: converged after 2 iterations. - iteration 137: trace = 0.0005435716102495204 (1.73784e-06% change) + iteration 137: trace = 0.000543571610248828 (1.73784e-06% change) large trace change predicted (2.10141e-05%) linmin: converged after 2 iterations. - iteration 138: trace = 0.0005435714960228689 (2.10141e-05% change) + iteration 138: trace = 0.000543571496022173 (2.10141e-05% change) linmin: converged after 2 iterations. - iteration 139: trace = 0.0005435714922129105 (7.00912e-07% change) + iteration 139: trace = 0.0005435714922122164 (7.00912e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159 -elapsed time for k point: 1.7022228240966797 -total elapsed time for run: 1.7227673530578613 +elapsed time for k point: 3.3660411834716797 +total elapsed time for run: 3.439756393432617 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -72918,336 +69109,336 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.02116703987121582 +elapsed time for initialization: 0.053880929946899414 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. - iteration 1: trace = 0.01396271777790278 (199.998% change) + iteration 1: trace = 0.0139627177779028 (199.998% change) linmin: converged after 7 iterations. - iteration 2: trace = 0.01327684378988491 (5.03587% change) + iteration 2: trace = 0.01327684378988493 (5.03587% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313325505801898 (1.08738% change) near maximum in trace linmin: converged after 6 iterations. - iteration 4: trace = 0.0114310737308695 (13.859% change) + iteration 4: trace = 0.01143107373086652 (13.859% change) linmin: converged after 8 iterations. - iteration 5: trace = 0.01057169177201646 (7.81158% change) + iteration 5: trace = 0.01057169177201078 (7.81158% change) linmin: converged after 6 iterations. - iteration 6: trace = 0.01011490408595845 (4.41627% change) + iteration 6: trace = 0.01011490408595853 (4.41627% change) linmin: converged after 6 iterations. - iteration 7: trace = 0.009876993404164151 (2.38007% change) + iteration 7: trace = 0.009876993404159226 (2.38007% change) linmin: converged after 8 iterations. - iteration 8: trace = 0.008846068608242092 (11.0124% change) + iteration 8: trace = 0.008846068608236137 (11.0124% change) linmin: converged after 6 iterations. - iteration 9: trace = 0.008517042221224369 (3.78995% change) + iteration 9: trace = 0.008517042221222943 (3.78995% change) linmin: converged after 5 iterations. - iteration 10: trace = 0.00832626873939284 (2.26527% change) + iteration 10: trace = 0.008326268739392689 (2.26527% change) large trace change predicted (6.09955%) linmin: converged after 8 iterations. - iteration 11: trace = 0.007074915363951925 (16.2501% change) + iteration 11: trace = 0.007074915363947475 (16.2501% change) linmin: converged after 5 iterations. - iteration 12: trace = 0.006842447679848838 (3.34069% change) + iteration 12: trace = 0.006842447679844602 (3.34069% change) linmin: converged after 5 iterations. - iteration 13: trace = 0.006644462857865458 (2.93596% change) + iteration 13: trace = 0.006644462857865442 (2.93596% change) linmin: converged after 8 iterations. - iteration 14: trace = 0.005865808909926261 (12.4482% change) + iteration 14: trace = 0.005865808909925974 (12.4482% change) linmin: converged after 5 iterations. - iteration 15: trace = 0.005690964406031785 (3.02584% change) + iteration 15: trace = 0.005690964406030207 (3.02584% change) linmin: converged after 5 iterations. - iteration 16: trace = 0.005359509169313643 (5.99893% change) + iteration 16: trace = 0.005359509169316294 (5.99893% change) linmin: converged after 6 iterations. - iteration 17: trace = 0.004560608210186273 (16.1067% change) + iteration 17: trace = 0.004560608210191163 (16.1067% change) linmin: converged after 4 iterations. - iteration 18: trace = 0.004423220918553953 (3.05855% change) + iteration 18: trace = 0.004423220918555635 (3.05855% change) linmin: converged after 3 iterations. - iteration 19: trace = 0.004368098767771484 (1.25401% change) + iteration 19: trace = 0.004368098767774342 (1.25401% change) large trace change predicted (8.81704%) linmin: converged after 6 iterations. - iteration 20: trace = 0.003725892430766089 (15.8687% change) + iteration 20: trace = 0.003725892430785343 (15.8687% change) linmin: converged after 6 iterations. - iteration 21: trace = 0.003276517527371248 (12.8349% change) + iteration 21: trace = 0.003276517527378326 (12.8349% change) linmin: converged after 3 iterations. - iteration 22: trace = 0.003217890899321256 (1.80545% change) + iteration 22: trace = 0.003217890899326027 (1.80545% change) linmin: converged after 5 iterations. - iteration 23: trace = 0.00308991772844423 (4.05761% change) + iteration 23: trace = 0.003089917728457939 (4.05761% change) linmin: converged after 6 iterations. - iteration 24: trace = 0.002789089266756519 (10.234% change) + iteration 24: trace = 0.002789089266763355 (10.234% change) linmin: converged after 4 iterations. - iteration 25: trace = 0.002710905816141527 (2.84304% change) + iteration 25: trace = 0.002710905816140304 (2.84304% change) linmin: converged after 3 iterations. - iteration 26: trace = 0.002674218653192085 (1.36254% change) + iteration 26: trace = 0.002674218653192409 (1.36254% change) large trace change predicted (6.80505%) linmin: converged after 5 iterations. - iteration 27: trace = 0.002438971014189333 (9.2016% change) + iteration 27: trace = 0.002438971014211682 (9.2016% change) linmin: converged after 6 iterations. - iteration 28: trace = 0.002034189826698968 (18.0982% change) + iteration 28: trace = 0.002034189826712717 (18.0982% change) linmin: converged after 4 iterations. - iteration 29: trace = 0.001933181583176571 (5.09195% change) + iteration 29: trace = 0.001933181583181567 (5.09195% change) linmin: converged after 3 iterations. - iteration 30: trace = 0.00190799897620217 (1.31119% change) + iteration 30: trace = 0.001907998976207921 (1.31119% change) large trace change predicted (3.49571%) linmin: converged after 4 iterations. - iteration 31: trace = 0.001834919993028385 (3.90492% change) + iteration 31: trace = 0.001834919993040527 (3.90492% change) linmin: converged after 5 iterations. - iteration 32: trace = 0.00169417347652804 (7.97636% change) + iteration 32: trace = 0.001694173476528172 (7.97636% change) linmin: converged after 3 iterations. - iteration 33: trace = 0.001646416286642192 (2.85921% change) + iteration 33: trace = 0.00164641628663374 (2.85921% change) linmin: converged after 3 iterations. - iteration 34: trace = 0.001622123538455565 (1.48646% change) + iteration 34: trace = 0.001622123538448661 (1.48646% change) large trace change predicted (5.19533%) linmin: converged after 4 iterations. - iteration 35: trace = 0.001527366074215025 (6.01732% change) + iteration 35: trace = 0.001527366074223171 (6.01732% change) linmin: converged after 5 iterations. - iteration 36: trace = 0.001331717884077404 (13.6861% change) + iteration 36: trace = 0.001331717884074668 (13.6861% change) linmin: converged after 4 iterations. - iteration 37: trace = 0.001255606316203367 (5.88342% change) + iteration 37: trace = 0.001255606316186353 (5.88342% change) linmin: converged after 3 iterations. - iteration 38: trace = 0.001232184805812728 (1.88292% change) + iteration 38: trace = 0.00123218480579704 (1.88292% change) linmin: converged after 3 iterations. - iteration 39: trace = 0.001191709709351213 (3.33967% change) + iteration 39: trace = 0.001191709709348205 (3.33967% change) linmin: converged after 4 iterations. - iteration 40: trace = 0.001116235433389698 (6.54039% change) + iteration 40: trace = 0.001116235433393041 (6.54039% change) linmin: converged after 3 iterations. - iteration 41: trace = 0.001082435949684311 (3.07454% change) + iteration 41: trace = 0.001082435949682115 (3.07454% change) linmin: converged after 4 iterations. - iteration 42: trace = 0.001071218450412578 (1.04172% change) + iteration 42: trace = 0.001071218450409275 (1.04172% change) linmin: converged after 3 iterations. - iteration 43: trace = 0.001050833573725574 (1.92124% change) + iteration 43: trace = 0.001050833573723999 (1.92124% change) large trace change predicted (5.53279%) linmin: converged after 4 iterations. - iteration 44: trace = 0.0009876540751933365 (6.19866% change) + iteration 44: trace = 0.0009876540751955294 (6.19866% change) linmin: converged after 4 iterations. - iteration 45: trace = 0.0009353335329439094 (5.44159% change) + iteration 45: trace = 0.0009353335329446143 (5.44159% change) linmin: converged after 3 iterations. - iteration 46: trace = 0.0009190905772966321 (1.75181% change) + iteration 46: trace = 0.0009190905772964061 (1.75181% change) linmin: converged after 4 iterations. - iteration 47: trace = 0.0009058436032717826 (1.45178% change) + iteration 47: trace = 0.0009058436032710833 (1.45178% change) large trace change predicted (4.00783%) linmin: converged after 3 iterations. - iteration 48: trace = 0.0008679705371545801 (4.27024% change) + iteration 48: trace = 0.0008679705371529364 (4.27024% change) linmin: converged after 3 iterations. - iteration 49: trace = 0.0008163908945060646 (6.12453% change) + iteration 49: trace = 0.000816390894504429 (6.12453% change) linmin: converged after 4 iterations. - iteration 50: trace = 0.000798101081114812 (2.26571% change) + iteration 50: trace = 0.000798101081113959 (2.26571% change) linmin: converged after 4 iterations. - iteration 51: trace = 0.0007920809420631715 (0.757164% change) + iteration 51: trace = 0.0007920809420628415 (0.757164% change) linmin: converged after 4 iterations. - iteration 52: trace = 0.0007831096983602546 (1.13907% change) + iteration 52: trace = 0.0007831096983605813 (1.13907% change) large trace change predicted (2.68696%) linmin: converged after 3 iterations. - iteration 53: trace = 0.0007615285021775451 (2.79434% change) + iteration 53: trace = 0.0007615285021774638 (2.79434% change) linmin: converged after 4 iterations. - iteration 54: trace = 0.0007452609271389511 (2.15924% change) + iteration 54: trace = 0.0007452609271372272 (2.15924% change) linmin: converged after 4 iterations. - iteration 55: trace = 0.0007399621295476514 (0.713536% change) + iteration 55: trace = 0.0007399621295455399 (0.713536% change) linmin: converged after 4 iterations. - iteration 56: trace = 0.0007354451060917822 (0.612309% change) + iteration 56: trace = 0.0007354451060898546 (0.612309% change) large trace change predicted (1.82266%) linmin: converged after 4 iterations. - iteration 57: trace = 0.0007218268493590878 (1.86901% change) + iteration 57: trace = 0.0007218268493576563 (1.86901% change) linmin: converged after 3 iterations. - iteration 58: trace = 0.0006978564989339716 (3.37686% change) + iteration 58: trace = 0.0006978564989307491 (3.37686% change) linmin: converged after 4 iterations. - iteration 59: trace = 0.0006862159288864979 (1.68208% change) + iteration 59: trace = 0.0006862159288818381 (1.68208% change) linmin: converged after 4 iterations. - iteration 60: trace = 0.0006814087152271418 (0.703002% change) + iteration 60: trace = 0.0006814087152226172 (0.703002% change) linmin: converged after 4 iterations. - iteration 61: trace = 0.000674150719073478 (1.07085% change) + iteration 61: trace = 0.0006741507190704368 (1.07085% change) linmin: converged after 4 iterations. - iteration 62: trace = 0.000659999594029403 (2.12137% change) + iteration 62: trace = 0.0006599995940285961 (2.12137% change) linmin: converged after 4 iterations. - iteration 63: trace = 0.0006513439268553819 (1.32012% change) + iteration 63: trace = 0.0006513439268549323 (1.32012% change) linmin: converged after 4 iterations. - iteration 64: trace = 0.0006488237794704081 (0.387665% change) + iteration 64: trace = 0.0006488237794698901 (0.387665% change) linmin: converged after 4 iterations. - iteration 65: trace = 0.0006469461201992004 (0.289814% change) + iteration 65: trace = 0.0006469461201985443 (0.289814% change) large trace change predicted (0.810595%) linmin: converged after 4 iterations. - iteration 66: trace = 0.0006416681505717652 (0.81917% change) + iteration 66: trace = 0.0006416681505707382 (0.81917% change) linmin: converged after 4 iterations. - iteration 67: trace = 0.0006315484776703385 (1.58962% change) + iteration 67: trace = 0.0006315484776695918 (1.58962% change) linmin: converged after 4 iterations. - iteration 68: trace = 0.0006260136834994107 (0.880242% change) + iteration 68: trace = 0.0006260136834993007 (0.880242% change) linmin: converged after 4 iterations. - iteration 69: trace = 0.000623706357644955 (0.369255% change) + iteration 69: trace = 0.0006237063576449252 (0.369255% change) resetting CG direction... linmin: converged after 3 iterations. - iteration 70: trace = 0.0006229823627476594 (0.116147% change) + iteration 70: trace = 0.0006229823627475973 (0.116147% change) large trace change predicted (0.609708%) linmin: converged after 3 iterations. - iteration 71: trace = 0.0006191863134140179 (0.611197% change) + iteration 71: trace = 0.0006191863134139081 (0.611197% change) large trace change predicted (1.7554%) linmin: converged after 3 iterations. - iteration 72: trace = 0.0006083344731425919 (1.76809% change) + iteration 72: trace = 0.0006083344731415858 (1.76809% change) linmin: converged after 3 iterations. - iteration 73: trace = 0.0006039819544212199 (0.71805% change) + iteration 73: trace = 0.000603981954420379 (0.71805% change) linmin: converged after 3 iterations. - iteration 74: trace = 0.0005953481801851204 (1.43977% change) + iteration 74: trace = 0.00059534818017693 (1.43977% change) linmin: converged after 3 iterations. - iteration 75: trace = 0.0005790998597526523 (2.76697% change) + iteration 75: trace = 0.0005790998597506539 (2.76697% change) linmin: converged after 4 iterations. - iteration 76: trace = 0.0005636615393937226 (2.70193% change) + iteration 76: trace = 0.0005636615393934356 (2.70193% change) linmin: converged after 2 iterations. - iteration 77: trace = 0.0005632767885226015 (0.0682825% change) + iteration 77: trace = 0.000563276788521786 (0.0682825% change) large trace change predicted (0.15294%) linmin: converged after 3 iterations. - iteration 78: trace = 0.0005624159234891336 (0.152948% change) + iteration 78: trace = 0.0005624159234883064 (0.152948% change) large trace change predicted (0.911925%) linmin: converged after 3 iterations. - iteration 79: trace = 0.0005573063060984972 (0.912658% change) + iteration 79: trace = 0.00055730630609639 (0.912658% change) linmin: converged after 3 iterations. - iteration 80: trace = 0.0005534008786979551 (0.703233% change) + iteration 80: trace = 0.00055340087869916 (0.703233% change) linmin: converged after 3 iterations. - iteration 81: trace = 0.0005527445947018674 (0.118661% change) + iteration 81: trace = 0.0005527445947010485 (0.118661% change) linmin: converged after 3 iterations. - iteration 82: trace = 0.0005523222164449861 (0.0764439% change) + iteration 82: trace = 0.0005523222164451261 (0.0764439% change) linmin: converged after 3 iterations. - iteration 83: trace = 0.0005515161192022787 (0.146053% change) + iteration 83: trace = 0.000551516119201459 (0.146053% change) large trace change predicted (0.456202%) linmin: converged after 3 iterations. - iteration 84: trace = 0.0005490276986448244 (0.452217% change) + iteration 84: trace = 0.0005490276986455809 (0.452217% change) linmin: converged after 3 iterations. - iteration 85: trace = 0.0005486976231663844 (0.0601381% change) + iteration 85: trace = 0.000548697623165681 (0.0601381% change) linmin: converged after 3 iterations. - iteration 86: trace = 0.0005485471397361475 (0.0274293% change) + iteration 86: trace = 0.0005485471397359496 (0.0274293% change) large trace change predicted (0.104834%) linmin: converged after 3 iterations. - iteration 87: trace = 0.0005479727715651105 (0.104762% change) + iteration 87: trace = 0.0005479727715644714 (0.104762% change) linmin: converged after 2 iterations. - iteration 88: trace = 0.0005475046960760042 (0.085456% change) + iteration 88: trace = 0.0005475046960759677 (0.085456% change) linmin: converged after 2 iterations. - iteration 89: trace = 0.0005473526469120577 (0.0277752% change) + iteration 89: trace = 0.0005473526469113653 (0.0277752% change) linmin: converged after 2 iterations. - iteration 90: trace = 0.0005472800290825545 (0.013268% change) + iteration 90: trace = 0.0005472800290821931 (0.013268% change) large trace change predicted (0.180543%) linmin: converged after 4 iterations. - iteration 91: trace = 0.0005462881158847318 (0.181409% change) + iteration 91: trace = 0.0005462881158840343 (0.181409% change) linmin: converged after 2 iterations. - iteration 92: trace = 0.0005461207310630182 (0.0306451% change) + iteration 92: trace = 0.0005461207310628973 (0.0306451% change) linmin: converged after 2 iterations. - iteration 93: trace = 0.000545850569838275 (0.0494814% change) + iteration 93: trace = 0.0005458505698375711 (0.0494814% change) linmin: converged after 2 iterations. - iteration 94: trace = 0.0005457798751032034 (0.0129521% change) + iteration 94: trace = 0.0005457798751028146 (0.0129521% change) large trace change predicted (0.0900923%) linmin: converged after 3 iterations. - iteration 95: trace = 0.0005452882561753553 (0.090117% change) + iteration 95: trace = 0.0005452882561746697 (0.090117% change) linmin: converged after 2 iterations. - iteration 96: trace = 0.0005451436125577784 (0.0265296% change) + iteration 96: trace = 0.0005451436125578125 (0.0265296% change) large trace change predicted (0.0932169%) linmin: converged after 2 iterations. - iteration 97: trace = 0.0005446353773016382 (0.0932731% change) + iteration 97: trace = 0.0005446353773009658 (0.0932731% change) linmin: converged after 2 iterations. - iteration 98: trace = 0.000544624754460285 (0.00195047% change) + iteration 98: trace = 0.0005446247544596131 (0.00195047% change) large trace change predicted (0.0828773%) linmin: converged after 3 iterations. - iteration 99: trace = 0.000544171138964733 (0.0833242% change) + iteration 99: trace = 0.000544171138964205 (0.0833242% change) linmin: converged after 2 iterations. - iteration 100: trace = 0.0005441562713014224 (0.0027322% change) + iteration 100: trace = 0.0005441562713009068 (0.0027322% change) large trace change predicted (0.0234901%) linmin: converged after 2 iterations. - iteration 101: trace = 0.0005440282539580667 (0.0235286% change) + iteration 101: trace = 0.0005440282539574001 (0.0235286% change) linmin: converged after 2 iterations. - iteration 102: trace = 0.0005440227592689511 (0.00101001% change) + iteration 102: trace = 0.0005440227592682754 (0.00101001% change) large trace change predicted (0.0204397%) linmin: converged after 2 iterations. - iteration 103: trace = 0.0005439114908245811 (0.020455% change) + iteration 103: trace = 0.0005439114908239274 (0.020455% change) linmin: converged after 2 iterations. - iteration 104: trace = 0.0005439052442574365 (0.00114846% change) + iteration 104: trace = 0.0005439052442567925 (0.00114846% change) large trace change predicted (0.0118837%) linmin: converged after 3 iterations. - iteration 105: trace = 0.0005438406202166483 (0.0118822% change) + iteration 105: trace = 0.0005438406202159833 (0.0118822% change) linmin: converged after 2 iterations. - iteration 106: trace = 0.0005438370058492213 (0.000664603% change) + iteration 106: trace = 0.0005438370058485623 (0.000664603% change) large trace change predicted (0.0154666%) linmin: converged after 3 iterations. - iteration 107: trace = 0.000543752969606081 (0.0154537% change) + iteration 107: trace = 0.0005437529696053936 (0.0154537% change) linmin: converged after 2 iterations. - iteration 108: trace = 0.0005437511838659896 (0.000328411% change) + iteration 108: trace = 0.0005437511838653032 (0.000328411% change) large trace change predicted (0.0115138%) linmin: converged after 3 iterations. - iteration 109: trace = 0.0005436886019066989 (0.01151% change) + iteration 109: trace = 0.0005436886019060305 (0.01151% change) linmin: converged after 2 iterations. - iteration 110: trace = 0.0005436852057078555 (0.000624661% change) + iteration 110: trace = 0.0005436852057071648 (0.000624661% change) large trace change predicted (0.00985811%) linmin: converged after 2 iterations. - iteration 111: trace = 0.0005436315752406818 (0.00986474% change) + iteration 111: trace = 0.0005436315752400133 (0.00986474% change) linmin: converged after 2 iterations. - iteration 112: trace = 0.0005436284958338378 (0.000566453% change) + iteration 112: trace = 0.0005436284958331564 (0.000566453% change) large trace change predicted (0.0021314%) linmin: converged after 2 iterations. - iteration 113: trace = 0.0005436169071216281 (0.00213176% change) + iteration 113: trace = 0.0005436169071209475 (0.00213176% change) linmin: converged after 2 iterations. - iteration 114: trace = 0.0005436159200511556 (0.000181575% change) + iteration 114: trace = 0.0005436159200504625 (0.000181575% change) large trace change predicted (0.00286192%) linmin: converged after 2 iterations. - iteration 115: trace = 0.0005436003613043309 (0.00286213% change) + iteration 115: trace = 0.000543600361303647 (0.00286213% change) linmin: converged after 2 iterations. - iteration 116: trace = 0.0005435990227764261 (0.000246234% change) + iteration 116: trace = 0.0005435990227757318 (0.000246234% change) large trace change predicted (0.000702071%) linmin: converged after 2 iterations. - iteration 117: trace = 0.0005435952063726551 (0.000702065% change) + iteration 117: trace = 0.0005435952063720037 (0.000702065% change) linmin: converged after 2 iterations. - iteration 118: trace = 0.0005435933072447255 (0.000349365% change) + iteration 118: trace = 0.0005435933072440354 (0.000349365% change) large trace change predicted (0.000866676%) linmin: converged after 2 iterations. - iteration 119: trace = 0.0005435885960696665 (0.000866677% change) + iteration 119: trace = 0.0005435885960689741 (0.000866677% change) linmin: converged after 2 iterations. - iteration 120: trace = 0.0005435874257158562 (0.000215302% change) + iteration 120: trace = 0.0005435874257151635 (0.000215302% change) large trace change predicted (0.00086939%) linmin: converged after 2 iterations. - iteration 121: trace = 0.0005435826998293409 (0.000869392% change) + iteration 121: trace = 0.0005435826998287078 (0.000869392% change) linmin: converged after 2 iterations. - iteration 122: trace = 0.0005435806841367159 (0.000370817% change) + iteration 122: trace = 0.0005435806841360211 (0.000370817% change) linmin: converged after 2 iterations. - iteration 123: trace = 0.0005435794454348627 (0.000227878% change) + iteration 123: trace = 0.0005435794454341686 (0.000227878% change) linmin: converged after 2 iterations. - iteration 124: trace = 0.0005435780840932716 (0.000250441% change) + iteration 124: trace = 0.0005435780840925743 (0.000250441% change) linmin: converged after 2 iterations. - iteration 125: trace = 0.0005435754863677042 (0.000477895% change) + iteration 125: trace = 0.0005435754863670571 (0.000477895% change) linmin: converged after 2 iterations. - iteration 126: trace = 0.0005435742830254604 (0.000221376% change) + iteration 126: trace = 0.0005435742830247655 (0.000221376% change) linmin: converged after 2 iterations. - iteration 127: trace = 0.0005435740402267594 (4.46671e-05% change) + iteration 127: trace = 0.0005435740402260683 (4.46671e-05% change) large trace change predicted (0.000217248%) linmin: converged after 2 iterations. - iteration 128: trace = 0.0005435728593590648 (0.000217242% change) + iteration 128: trace = 0.0005435728593583732 (0.000217242% change) linmin: converged after 2 iterations. - iteration 129: trace = 0.0005435727903942399 (1.26873e-05% change) + iteration 129: trace = 0.0005435727903935509 (1.26873e-05% change) large trace change predicted (0.000125585%) linmin: converged after 2 iterations. - iteration 130: trace = 0.000543572107755412 (0.000125584% change) + iteration 130: trace = 0.000543572107754718 (0.000125584% change) linmin: converged after 2 iterations. - iteration 131: trace = 0.0005435720965422173 (2.06287e-06% change) + iteration 131: trace = 0.0005435720965415235 (2.06287e-06% change) large trace change predicted (1.96188e-05%) linmin: converged after 2 iterations. - iteration 132: trace = 0.0005435719898999652 (1.96188e-05% change) + iteration 132: trace = 0.0005435719898992722 (1.96188e-05% change) linmin: converged after 2 iterations. - iteration 133: trace = 0.0005435719754110567 (2.6655e-06% change) + iteration 133: trace = 0.0005435719754103634 (2.6655e-06% change) large trace change predicted (4.27192e-05%) linmin: converged after 2 iterations. - iteration 134: trace = 0.0005435717432022136 (4.27191e-05% change) + iteration 134: trace = 0.0005435717432015197 (4.27191e-05% change) linmin: converged after 2 iterations. - iteration 135: trace = 0.00054357173172288 (2.11183e-06% change) + iteration 135: trace = 0.0005435717317221865 (2.11183e-06% change) large trace change predicted (2.06095e-05%) linmin: converged after 2 iterations. - iteration 136: trace = 0.000543571619695929 (2.06094e-05% change) + iteration 136: trace = 0.0005435716196952311 (2.06094e-05% change) linmin: converged after 2 iterations. - iteration 137: trace = 0.0005435716102495204 (1.73784e-06% change) + iteration 137: trace = 0.000543571610248828 (1.73784e-06% change) large trace change predicted (2.10141e-05%) linmin: converged after 2 iterations. - iteration 138: trace = 0.0005435714960228689 (2.10141e-05% change) + iteration 138: trace = 0.000543571496022173 (2.10141e-05% change) linmin: converged after 2 iterations. - iteration 139: trace = 0.0005435714922129105 (7.00912e-07% change) + iteration 139: trace = 0.0005435714922122164 (7.00912e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159 -.elapsed time for k point: 1.7496423721313477 -total elapsed time for run: 1.770960807800293 +.elapsed time for k point: 5.867243051528931 +total elapsed time for run: 5.921266794204712 done -/tmp/meepNmMUdV/test_point_defect_state-0: 132.76s +/tmp/meep1SOGmO/test_point_defect_state-0: 355.09s -/tmp/meepNmMUdV/test_poynting-0 +/tmp/meep1SOGmO/test_poynting-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -73290,7 +69481,7 @@ 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: 0.003803253173828125 +elapsed time for initialization: 0.02277994155883789 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... @@ -73401,7 +69592,7 @@ iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.29032373428344727 +elapsed time for k point: 0.7794561386108398 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -73652,7 +69843,7 @@ iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.9681696891784668 +elapsed time for k point: 2.7603747844696045 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -73709,7 +69900,7 @@ iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.20728754997253418 +elapsed time for k point: 0.6108477115631104 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -73762,7 +69953,7 @@ iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.19184231758117676 +elapsed time for k point: 2.5006985664367676 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -73823,7 +70014,7 @@ iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.2226405143737793 +elapsed time for k point: 0.6166441440582275 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -73916,7 +70107,7 @@ iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.34775733947753906 +elapsed time for k point: 0.9171702861785889 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -73987,7 +70178,7 @@ iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.26312994956970215 +elapsed time for k point: 0.6928236484527588 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -74048,7 +70239,7 @@ iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.22313904762268066 +elapsed time for k point: 0.6131372451782227 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -74101,7 +70292,7 @@ iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.18987345695495605 +elapsed time for k point: 0.5754592418670654 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -74153,7 +70344,7 @@ iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.18366265296936035 +elapsed time for k point: 0.41793036460876465 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -74207,15 +70398,15 @@ tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 /build/reproducible-path/meep-1.29.0/python/meep/mpb/solver.py:366: DeprecationWarning: __array__ implementation doesn't accept a copy keyword, so passing copy=False failed. __array__ must implement 'dtype' and 'copy' keyword arguments. To learn more, see the migration guide https://numpy.org/devdocs/numpy_2_0_migration_guide.html#adapting-to-changes-in-the-copy-keyword res[i] = np.array(ExH(e[i], h[i])) -elapsed time for k point: 0.18286800384521484 -Outputting fields to /tmp/meepNmMUdV/test_poynting-0-flux.v.k11.b01.te.h5... -Outputting fields to /tmp/meepNmMUdV/test_poynting-0-flux.v.k11.b02.te.h5... -Outputting fields to /tmp/meepNmMUdV/test_poynting-0-flux.v.k11.b03.te.h5... -Outputting fields to /tmp/meepNmMUdV/test_poynting-0-flux.v.k11.b04.te.h5... -Outputting fields to /tmp/meepNmMUdV/test_poynting-0-flux.v.k11.b05.te.h5... -Outputting fields to /tmp/meepNmMUdV/test_poynting-0-flux.v.k11.b06.te.h5... -Outputting fields to /tmp/meepNmMUdV/test_poynting-0-flux.v.k11.b07.te.h5... -Outputting fields to /tmp/meepNmMUdV/test_poynting-0-flux.v.k11.b08.te.h5... +elapsed time for k point: 0.32065486907958984 +Outputting fields to /tmp/meep1SOGmO/test_poynting-0-flux.v.k11.b01.te.h5... +Outputting fields to /tmp/meep1SOGmO/test_poynting-0-flux.v.k11.b02.te.h5... +Outputting fields to /tmp/meep1SOGmO/test_poynting-0-flux.v.k11.b03.te.h5... +Outputting fields to /tmp/meep1SOGmO/test_poynting-0-flux.v.k11.b04.te.h5... +Outputting fields to /tmp/meep1SOGmO/test_poynting-0-flux.v.k11.b05.te.h5... +Outputting fields to /tmp/meep1SOGmO/test_poynting-0-flux.v.k11.b06.te.h5... +Outputting fields to /tmp/meep1SOGmO/test_poynting-0-flux.v.k11.b07.te.h5... +Outputting fields to /tmp/meep1SOGmO/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. @@ -74256,7 +70447,7 @@ iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.14541053771972656 +elapsed time for k point: 0.5377500057220459 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -74303,7 +70494,7 @@ iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.16706609725952148 +elapsed time for k point: 3.215701103210449 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -74366,7 +70557,7 @@ iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.22968029975891113 +elapsed time for k point: 0.84397292137146 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -74439,7 +70630,7 @@ iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.2680659294128418 +elapsed time for k point: 0.9754478931427002 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -74634,7 +70825,7 @@ iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -..elapsed time for k point: 0.5126950740814209 +..elapsed time for k point: 1.6872038841247559 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> @@ -74646,15 +70837,15 @@ Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% -total elapsed time for run: 4.89108943939209 +total elapsed time for run: 19.250422716140747 done -/tmp/meepNmMUdV/test_poynting-0: 4.90s +/tmp/meep1SOGmO/test_poynting-0: 19.29s -/tmp/meepNmMUdV/test_resolution-0 +/tmp/meep1SOGmO/test_resolution-0 ======================== -/tmp/meepNmMUdV/test_resolution-0: 0.00s +/tmp/meep1SOGmO/test_resolution-0: 0.00s -/tmp/meepNmMUdV/test_run_te-0 +/tmp/meep1SOGmO/test_run_te-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -74697,7 +70888,7 @@ 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: 0.003817319869995117 +elapsed time for initialization: 0.0027654170989990234 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... @@ -74808,7 +70999,7 @@ iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.29332756996154785 +elapsed time for k point: 1.0361812114715576 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -75059,7 +71250,7 @@ iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.9409806728363037 +elapsed time for k point: 4.831958532333374 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -75116,7 +71307,7 @@ iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.20573067665100098 +elapsed time for k point: 0.641348123550415 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -75169,7 +71360,7 @@ iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.19150280952453613 +elapsed time for k point: 0.8763706684112549 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -75230,7 +71421,7 @@ iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.22235417366027832 +elapsed time for k point: 0.7993781566619873 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -75323,7 +71514,7 @@ iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.3461751937866211 +elapsed time for k point: 1.3612165451049805 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -75394,7 +71585,7 @@ iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.2588670253753662 +elapsed time for k point: 0.8059430122375488 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -75426,628 +71617,616 @@ linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 3 iterations. + switching to approximate line minimization (decrease time by 97.5038%) iteration 15: trace = 5.24085395074316 (6.91047e-08% change) - linmin: converged after 27 iterations. - iteration 16: trace = 5.240853949555021 (2.26707e-08% change) - linmin: converged after 2 iterations. - iteration 17: trace = 5.240853949179423 (7.16674e-09% change) - linmin: converged after 10 iterations. - iteration 18: trace = 5.240853949031688 (2.8189e-09% change) - linmin: converged after 6 iterations. - iteration 19: trace = 5.240853948976923 (1.04496e-09% change) - linmin: converged after 4 iterations. - iteration 20: trace = 5.240853948939868 (7.07054e-10% change) - linmin: converged after 4 iterations. - iteration 21: trace = 5.240853948883504 (1.07547e-09% change) - linmin: converged after 6 iterations. - iteration 22: trace = 5.240853948833736 (9.4962e-10% change) - linmin: converged after 18 iterations. - iteration 23: trace = 5.240853948802548 (5.95084e-10% change) - linmin: converged after 2 iterations. - iteration 24: trace = 5.240853948778211 (4.6437e-10% change) - linmin: converged after 3 iterations. - iteration 25: trace = 5.240853948757243 (4.0009e-10% change) - linmin: converged after 6 iterations. - iteration 26: trace = 5.240853948742305 (2.85035e-10% change) - linmin: converged after 3 iterations. - iteration 27: trace = 5.240853948735853 (1.23105e-10% change) - linmin: converged after 4 iterations. - iteration 28: trace = 5.240853948733916 (3.69619e-11% change) + iteration 16: trace = 5.240853949555016 (2.26708e-08% change) + iteration 17: trace = 5.240853949179422 (7.16667e-09% change) + iteration 18: trace = 5.240853949031687 (2.81891e-09% change) + iteration 19: trace = 5.240853948976925 (1.0449e-09% change) + iteration 20: trace = 5.240853948939872 (7.07004e-10% change) + iteration 21: trace = 5.240853948883498 (1.07566e-09% change) + iteration 22: trace = 5.240853948833733 (9.49569e-10% change) + iteration 23: trace = 5.240853948802554 (5.94915e-10% change) + iteration 24: trace = 5.240853948778205 (4.64608e-10% change) + iteration 25: trace = 5.240853948757243 (3.99971e-10% change) + iteration 26: trace = 5.240853948742309 (2.8495e-10% change) + iteration 27: trace = 5.240853948735859 (1.23071e-10% change) + iteration 28: trace = 5.240853948733915 (3.70974e-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: 0.2213912010192871 +elapsed time for k point: 2.9618027210235596 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 5.10247298491282 (0.252117% change) + iteration 1: trace = 5.102472984838485 (0.252117% change) linmin: converged after 3 iterations. - iteration 2: trace = 5.098134061052821 (0.0850719% change) - linmin: converged after 4 iterations. - iteration 3: trace = 5.097086787866127 (0.0205444% change) + iteration 2: trace = 5.098134061023845 (0.0850719% change) linmin: converged after 4 iterations. - iteration 4: trace = 5.096768814833581 (0.00623852% change) - linmin: converged after 5 iterations. - iteration 5: trace = 5.096616721986505 (0.00298415% change) + iteration 3: trace = 5.097086787852249 (0.0205444% change) linmin: converged after 4 iterations. - iteration 6: trace = 5.096573167031528 (0.000854589% change) + iteration 4: trace = 5.096768814824949 (0.00623852% change) linmin: converged after 3 iterations. - iteration 7: trace = 5.096556387466498 (0.000329233% change) + iteration 5: trace = 5.096616721982752 (0.00298415% change) + linmin: converged after 12 iterations. + iteration 6: trace = 5.096573167029762 (0.000854589% change) linmin: converged after 5 iterations. - iteration 8: trace = 5.096548105120984 (0.000162509% change) - linmin: converged after 4 iterations. - iteration 9: trace = 5.096545531978204 (5.0488e-05% change) + iteration 7: trace = 5.096556387466005 (0.000329233% change) + linmin: converged after 5 iterations. + iteration 8: trace = 5.096548105120861 (0.000162509% change) linmin: converged after 4 iterations. - iteration 10: trace = 5.09654455014369 (1.92647e-05% change) + iteration 9: trace = 5.096545531978201 (5.0488e-05% change) linmin: converged after 4 iterations. - iteration 11: trace = 5.096544340283728 (4.11769e-06% change) + iteration 10: trace = 5.096544550143694 (1.92647e-05% change) + linmin: converged after 9 iterations. + iteration 11: trace = 5.096544340283723 (4.11769e-06% change) linmin: converged after 3 iterations. - iteration 12: trace = 5.096544290838739 (9.70167e-07% change) + iteration 12: trace = 5.096544290838808 (9.70166e-07% change) linmin: converged after 2 iterations. - iteration 13: trace = 5.096544277659976 (2.58582e-07% change) - linmin: converged after 22 iterations. - iteration 14: trace = 5.096544274637562 (5.93032e-08% change) - linmin: converged after 4 iterations. - iteration 15: trace = 5.096544273956445 (1.33643e-08% change) - linmin: converged after 4 iterations. - iteration 16: trace = 5.096544273766987 (3.71739e-09% change) - linmin: converged after 3 iterations. - iteration 17: trace = 5.096544273707476 (1.16767e-09% change) - linmin: converged after 10 iterations. - iteration 18: trace = 5.096544273672401 (6.88212e-10% change) + iteration 13: trace = 5.096544277660007 (2.58583e-07% change) linmin: converged after 3 iterations. - iteration 19: trace = 5.096544273621829 (9.9228e-10% change) + iteration 14: trace = 5.096544274637567 (5.93037e-08% change) + linmin: converged after 5 iterations. + iteration 15: trace = 5.096544273956439 (1.33645e-08% change) + linmin: converged after 19 iterations. + iteration 16: trace = 5.096544273766975 (3.71749e-09% change) + linmin: converged after 5 iterations. + iteration 17: trace = 5.096544273707477 (1.16742e-09% change) + linmin: converged after 7 iterations. + iteration 18: trace = 5.096544273672396 (6.88317e-10% change) + linmin: converged after 6 iterations. + iteration 19: trace = 5.096544273621825 (9.92263e-10% change) + linmin: converged after 5 iterations. + iteration 20: trace = 5.096544273547279 (1.46269e-09% change) + linmin: converged after 5 iterations. + iteration 21: trace = 5.096544273463907 (1.63584e-09% change) linmin: converged after 2 iterations. - iteration 20: trace = 5.096544273547276 (1.46281e-09% change) - linmin: converged after 4 iterations. - iteration 21: trace = 5.096544273463899 (1.63595e-09% change) - linmin: converged after 3 iterations. - iteration 22: trace = 5.096544273426185 (7.40006e-10% change) - linmin: converged after 3 iterations. - iteration 23: trace = 5.096544273414491 (2.29445e-10% change) + iteration 22: trace = 5.096544273426194 (7.39971e-10% change) + linmin: converged after 6 iterations. + iteration 23: trace = 5.096544273414497 (2.29515e-10% change) linmin: converged after 3 iterations. - iteration 24: trace = 5.09654427341062 (7.59472e-11% change) + iteration 24: trace = 5.096544273410626 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.1907508373260498 +elapsed time for k point: 0.885775089263916 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 5.010057945910257 (0.187174% change) + iteration 1: trace = 5.010057945960401 (0.187174% change) linmin: converged after 3 iterations. - iteration 2: trace = 5.007389306962008 (0.0532798% change) + iteration 2: trace = 5.007389307011057 (0.0532798% change) linmin: converged after 4 iterations. - iteration 3: trace = 5.006708599252311 (0.013595% change) + iteration 3: trace = 5.006708599280556 (0.013595% change) linmin: converged after 4 iterations. - iteration 4: trace = 5.006529313190496 (0.00358098% change) - linmin: converged after 7 iterations. - iteration 5: trace = 5.006460294301304 (0.00137859% change) - linmin: converged after 5 iterations. - iteration 6: trace = 5.006443503180209 (0.00033539% change) + iteration 4: trace = 5.006529313197391 (0.00358098% change) linmin: converged after 5 iterations. - iteration 7: trace = 5.006439503863523 (7.98834e-05% change) + iteration 5: trace = 5.006460294303492 (0.00137859% change) + linmin: converged after 3 iterations. + iteration 6: trace = 5.006443503181268 (0.00033539% change) + linmin: converged after 3 iterations. + iteration 7: trace = 5.006439503864039 (7.98834e-05% change) linmin: converged after 4 iterations. - iteration 8: trace = 5.00643760634509 (3.79016e-05% change) - linmin: converged after 5 iterations. - iteration 9: trace = 5.006436969310692 (1.27243e-05% change) - linmin: converged after 5 iterations. - iteration 10: trace = 5.006436638672481 (6.60426e-06% change) + iteration 8: trace = 5.006437606345297 (3.79016e-05% change) + linmin: converged after 4 iterations. + iteration 9: trace = 5.006436969310787 (1.27243e-05% change) + linmin: converged after 4 iterations. + iteration 10: trace = 5.00643663867252 (6.60426e-06% change) linmin: converged after 5 iterations. - iteration 11: trace = 5.0064365391388 (1.98811e-06% change) - linmin: converged after 3 iterations. - iteration 12: trace = 5.006436508297353 (6.16036e-07% change) + iteration 11: trace = 5.006436539138817 (1.98811e-06% change) + linmin: converged after 14 iterations. + iteration 12: trace = 5.00643650829736 (6.16036e-07% change) linmin: converged after 2 iterations. - iteration 13: trace = 5.006436499318636 (1.79343e-07% change) + iteration 13: trace = 5.006436499318639 (1.79344e-07% change) + linmin: converged after 3 iterations. + iteration 14: trace = 5.006436497214732 (4.2024e-08% change) + linmin: converged after 20 iterations. + iteration 15: trace = 5.006436496812796 (8.02839e-09% change) + linmin: converged after 15 iterations. + iteration 16: trace = 5.006436496713434 (1.98469e-09% change) + linmin: converged after 14 iterations. + iteration 17: trace = 5.006436496673627 (7.95122e-10% change) linmin: converged after 4 iterations. - iteration 14: trace = 5.006436497214727 (4.20241e-08% change) - linmin: converged after 23 iterations. - iteration 15: trace = 5.006436496812785 (8.02851e-09% change) - linmin: converged after 9 iterations. - iteration 16: trace = 5.006436496713429 (1.98455e-09% change) + iteration 18: trace = 5.006436496632918 (8.13129e-10% change) + large trace change predicted (2.20207e-09%) linmin: converged after 4 iterations. - iteration 17: trace = 5.006436496673625 (7.95069e-10% change) - linmin: converged after 7 iterations. - iteration 18: trace = 5.006436496632912 (8.13217e-10% change) - large trace change predicted (2.20203e-09%) - linmin: converged after 3 iterations. - iteration 19: trace = 5.006436496522669 (2.20201e-09% change) - linmin: converged after 6 iterations. - iteration 20: trace = 5.006436496410068 (2.24913e-09% change) + iteration 19: trace = 5.006436496522668 (2.20216e-09% change) linmin: converged after 4 iterations. - iteration 21: trace = 5.00643649635725 (1.05499e-09% change) + iteration 20: trace = 5.006436496410074 (2.24899e-09% change) + linmin: converged after 4 iterations. + iteration 21: trace = 5.006436496357246 (1.0552e-09% change) + linmin: converged after 4 iterations. + iteration 22: trace = 5.006436496344435 (2.55892e-10% change) linmin: converged after 3 iterations. - iteration 22: trace = 5.006436496344439 (2.55892e-10% change) - linmin: converged after 5 iterations. - iteration 23: trace = 5.006436496341392 (6.08684e-11% change) + iteration 23: trace = 5.006436496341392 (6.07797e-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: 0.1850111484527588 +elapsed time for k point: 0.8479382991790771 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 4.978993750426394 (0.165173% change) + iteration 1: trace = 4.978993750420726 (0.165173% change) linmin: converged after 4 iterations. - iteration 2: trace = 4.976790350140194 (0.0442637% change) + iteration 2: trace = 4.976790350139312 (0.0442637% change) linmin: converged after 4 iterations. - iteration 3: trace = 4.976199668873644 (0.0118694% change) + iteration 3: trace = 4.976199668873386 (0.0118694% change) linmin: converged after 4 iterations. - iteration 4: trace = 4.976051201931979 (0.00298359% change) + iteration 4: trace = 4.97605120193142 (0.00298359% change) linmin: converged after 4 iterations. - iteration 5: trace = 4.9759992053625 (0.00104494% change) + iteration 5: trace = 4.975999205362221 (0.00104494% change) linmin: converged after 3 iterations. - iteration 6: trace = 4.975987153191778 (0.000242206% change) + iteration 6: trace = 4.97598715319162 (0.000242206% change) linmin: converged after 2 iterations. - iteration 7: trace = 4.975985115125865 (4.0958e-05% change) + iteration 7: trace = 4.975985115125773 (4.0958e-05% change) linmin: converged after 4 iterations. - iteration 8: trace = 4.975984462449346 (1.31165e-05% change) + iteration 8: trace = 4.975984462449302 (1.31165e-05% change) linmin: converged after 2 iterations. - iteration 9: trace = 4.975984347964303 (2.30075e-06% change) - linmin: converged after 5 iterations. - iteration 10: trace = 4.97598430121141 (9.39571e-07% change) - linmin: converged after 2 iterations. - iteration 11: trace = 4.975984281705355 (3.92004e-07% change) - linmin: converged after 6 iterations. - iteration 12: trace = 4.975984271802616 (1.99011e-07% change) + iteration 9: trace = 4.975984347964275 (2.30075e-06% change) linmin: converged after 2 iterations. - iteration 13: trace = 4.975984267495481 (8.65585e-08% change) + iteration 10: trace = 4.975984301211393 (9.39571e-07% change) linmin: converged after 2 iterations. - iteration 14: trace = 4.975984266162572 (2.67868e-08% change) + iteration 11: trace = 4.975984281705348 (3.92004e-07% change) + linmin: converged after 4 iterations. + iteration 12: trace = 4.975984271802617 (1.9901e-07% change) linmin: converged after 2 iterations. - iteration 15: trace = 4.975984265893695 (5.4035e-09% change) + iteration 13: trace = 4.975984267495482 (8.65585e-08% change) linmin: converged after 2 iterations. - iteration 16: trace = 4.975984265819602 (1.48901e-09% change) + iteration 14: trace = 4.975984266162577 (2.67868e-08% change) linmin: converged after 2 iterations. - iteration 17: trace = 4.975984265774336 (9.0969e-10% change) + iteration 15: trace = 4.975984265893695 (5.40359e-09% change) + linmin: converged after 4 iterations. + iteration 16: trace = 4.975984265819601 (1.48902e-09% change) + linmin: converged after 4 iterations. + iteration 17: trace = 4.975984265774338 (9.09636e-10% change) linmin: converged after 2 iterations. - iteration 18: trace = 4.975984265706849 (1.35626e-09% change) + iteration 18: trace = 4.975984265706844 (1.35639e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. - iteration 19: trace = 4.975984265533266 (3.48841e-09% change) + iteration 19: trace = 4.975984265533269 (3.48827e-09% change) linmin: converged after 3 iterations. - iteration 20: trace = 4.975984265426864 (2.13831e-09% change) - linmin: converged after 4 iterations. - iteration 21: trace = 4.975984265393333 (6.73865e-10% change) - linmin: converged after 6 iterations. - iteration 22: trace = 4.975984265384497 (1.77565e-10% change) + iteration 20: trace = 4.97598426542687 (2.13824e-09% change) + linmin: converged after 3 iterations. + iteration 21: trace = 4.975984265393329 (6.74061e-10% change) linmin: converged after 4 iterations. - iteration 23: trace = 4.975984265381787 (5.44582e-11% change) + iteration 22: trace = 4.975984265384499 (1.77458e-10% change) + linmin: converged after 3 iterations. + iteration 23: trace = 4.975984265381785 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.18214106559753418 +elapsed time for k point: 0.6882739067077637 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 5.042733647627272 (0.320838% change) + iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. - iteration 2: trace = 5.038219694839757 (0.0895541% change) + iteration 2: trace = 5.038219694841116 (0.0895541% change) linmin: converged after 4 iterations. - iteration 3: trace = 5.036942796212955 (0.0253475% change) + iteration 3: trace = 5.03694279621369 (0.0253475% change) linmin: converged after 4 iterations. - iteration 4: trace = 5.036564344352509 (0.00751381% change) + iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. - iteration 5: trace = 5.036422962550608 (0.00280715% change) + iteration 5: trace = 5.036422962550622 (0.00280715% change) linmin: converged after 6 iterations. - iteration 6: trace = 5.036388281602306 (0.000688605% change) + iteration 6: trace = 5.036388281602311 (0.000688605% change) linmin: converged after 4 iterations. - iteration 7: trace = 5.036381725959926 (0.000130166% change) + iteration 7: trace = 5.036381725959928 (0.000130166% change) linmin: converged after 5 iterations. - iteration 8: trace = 5.036379322251286 (4.77269e-05% change) - linmin: converged after 4 iterations. - iteration 9: trace = 5.036378780323868 (1.07603e-05% change) + iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. + iteration 9: trace = 5.03637878032387 (1.07603e-05% change) + linmin: converged after 6 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.036378497300833 (1.27317e-06% change) + linmin: converged after 13 iterations. + iteration 12: trace = 5.03637848410618 (2.61987e-07% change) + linmin: converged after 9 iterations. + iteration 13: trace = 5.036378480911201 (6.3438e-08% change) + linmin: converged after 3 iterations. + iteration 14: trace = 5.036378480128374 (1.55435e-08% change) + linmin: converged after 3 iterations. + iteration 15: trace = 5.036378479954644 (3.44949e-09% change) + linmin: converged after 8 iterations. + iteration 16: trace = 5.03637847990936 (8.99134e-10% change) linmin: converged after 2 iterations. - iteration 12: trace = 5.036378484106184 (2.61987e-07% change) - linmin: converged after 4 iterations. - iteration 13: trace = 5.036378480911196 (6.34382e-08% change) - linmin: converged after 30 iterations. - iteration 14: trace = 5.036378480128369 (1.55435e-08% change) - linmin: converged after 2 iterations. - iteration 15: trace = 5.036378479954638 (3.44953e-09% change) - linmin: converged after 5 iterations. - iteration 16: trace = 5.036378479909366 (8.98887e-10% change) + iteration 17: trace = 5.036378479898015 (2.25273e-10% change) linmin: converged after 3 iterations. - iteration 17: trace = 5.036378479898021 (2.25273e-10% change) - linmin: converged after 16 iterations. - iteration 18: trace = 5.036378479895265 (5.47222e-11% change) + iteration 18: trace = 5.036378479895272 (5.44577e-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: 0.14441537857055664 +elapsed time for k point: 0.10438895225524902 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 5.219132352168817 (0.375945% change) + iteration 1: trace = 5.21913235216564 (0.375945% change) linmin: converged after 5 iterations. - iteration 2: trace = 5.211330254319178 (0.149602% change) + iteration 2: trace = 5.211330254327473 (0.149602% change) linmin: converged after 4 iterations. - iteration 3: trace = 5.208582459516231 (0.0527412% change) + iteration 3: trace = 5.20858245952259 (0.0527412% change) linmin: converged after 4 iterations. - iteration 4: trace = 5.20740719111832 (0.0225666% change) + iteration 4: trace = 5.207407191119326 (0.0225666% change) linmin: converged after 4 iterations. - iteration 5: trace = 5.206822251347192 (0.0112335% change) + iteration 5: trace = 5.206822251347353 (0.0112335% change) linmin: converged after 4 iterations. - iteration 6: trace = 5.206658183445574 (0.00315107% change) + iteration 6: trace = 5.20665818344561 (0.00315107% change) linmin: converged after 4 iterations. - iteration 7: trace = 5.206604831487709 (0.00102469% change) - linmin: converged after 6 iterations. - iteration 8: trace = 5.206579319181462 (0.00049% change) + iteration 7: trace = 5.206604831487764 (0.00102469% change) + linmin: converged after 4 iterations. + iteration 8: trace = 5.206579319181512 (0.00049% change) linmin: converged after 5 iterations. - iteration 9: trace = 5.20657139421153 (0.000152211% change) - linmin: converged after 3 iterations. - iteration 10: trace = 5.206567821670568 (6.8616e-05% change) + iteration 9: trace = 5.206571394211554 (0.000152211% change) + linmin: converged after 4 iterations. + iteration 10: trace = 5.206567821670572 (6.8616e-05% change) linmin: converged after 3 iterations. - iteration 11: trace = 5.206566741448365 (2.07473e-05% change) - linmin: converged after 5 iterations. + iteration 11: trace = 5.206566741448367 (2.07473e-05% change) + linmin: converged after 2 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. - iteration 13: trace = 5.206566333737291 (1.95434e-06% change) - linmin: converged after 4 iterations. - iteration 14: trace = 5.206566313192128 (3.94601e-07% change) + iteration 13: trace = 5.206566333737286 (1.95434e-06% change) linmin: converged after 6 iterations. - iteration 15: trace = 5.206566308082147 (9.81449e-08% change) + iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 4 iterations. - iteration 16: trace = 5.206566306507293 (3.02475e-08% change) - linmin: converged after 3 iterations. - iteration 17: trace = 5.206566306040203 (8.97116e-09% change) + iteration 15: trace = 5.206566308082149 (9.81449e-08% change) + linmin: converged after 4 iterations. + iteration 16: trace = 5.206566306507294 (3.02475e-08% change) linmin: converged after 3 iterations. - iteration 18: trace = 5.206566305927628 (2.16219e-09% change) - linmin: converged after 2 iterations. - iteration 19: trace = 5.206566305900049 (5.29693e-10% change) - linmin: converged after 15 iterations. - iteration 20: trace = 5.206566305893735 (1.21271e-10% change) + iteration 17: trace = 5.206566306040203 (8.97118e-09% change) + linmin: converged after 29 iterations. + iteration 18: trace = 5.206566305927632 (2.1621e-09% change) + linmin: converged after 4 iterations. + iteration 19: trace = 5.206566305900044 (5.29881e-10% change) linmin: converged after 5 iterations. - iteration 21: trace = 5.206566305891685 (3.93717e-11% change) + iteration 20: trace = 5.206566305893729 (1.21288e-10% change) + linmin: converged after 8 iterations. + iteration 21: trace = 5.206566305891689 (3.9167e-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: 0.16805768013000488 +elapsed time for k point: 0.12978792190551758 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 5.468255756300327 (0.622033% change) + iteration 1: trace = 5.468255756300547 (0.622033% change) linmin: converged after 5 iterations. - iteration 2: trace = 5.443223812749443 (0.458819% change) + iteration 2: trace = 5.443223812749904 (0.458819% change) linmin: converged after 4 iterations. - iteration 3: trace = 5.431408622421224 (0.217298% change) + iteration 3: trace = 5.431408622421673 (0.217298% change) linmin: converged after 4 iterations. - iteration 4: trace = 5.424242356553044 (0.132028% change) + iteration 4: trace = 5.424242356553146 (0.132028% change) linmin: converged after 5 iterations. - iteration 5: trace = 5.419937630971101 (0.0793924% change) + iteration 5: trace = 5.4199376309711 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855422 (0.0258088% change) linmin: converged after 4 iterations. - iteration 7: trace = 5.41785772333391 (0.0125737% change) - linmin: converged after 3 iterations. - iteration 8: trace = 5.417473338575128 (0.00709503% change) + iteration 7: trace = 5.417857723333919 (0.0125737% change) linmin: converged after 3 iterations. + iteration 8: trace = 5.41747333857513 (0.00709503% change) + linmin: converged after 4 iterations. iteration 9: trace = 5.417269129397945 (0.00376953% change) + linmin: converged after 4 iterations. + iteration 10: trace = 5.417145557811467 (0.00228109% change) linmin: converged after 3 iterations. - iteration 10: trace = 5.417145557811468 (0.00228109% change) - linmin: converged after 3 iterations. - iteration 11: trace = 5.417106189895424 (0.000726731% change) - linmin: converged after 3 iterations. - iteration 12: trace = 5.417094578169103 (0.000214353% change) + iteration 11: trace = 5.417106189895419 (0.000726731% change) linmin: converged after 3 iterations. - iteration 13: trace = 5.417090464906998 (7.59312e-05% change) + iteration 12: trace = 5.417094578169104 (0.000214353% change) + linmin: converged after 5 iterations. + iteration 13: trace = 5.417090464907004 (7.59312e-05% change) + linmin: converged after 5 iterations. + iteration 14: trace = 5.417089421745849 (1.92569e-05% change) linmin: converged after 3 iterations. - iteration 14: trace = 5.417089421745808 (1.92569e-05% change) + iteration 15: trace = 5.417088991729047 (7.93815e-06% change) + linmin: converged after 2 iterations. + iteration 16: trace = 5.417088858207667 (2.46482e-06% change) linmin: converged after 3 iterations. - iteration 15: trace = 5.417088991729025 (7.93815e-06% change) + iteration 17: trace = 5.417088812132398 (8.50554e-07% change) linmin: converged after 4 iterations. - iteration 16: trace = 5.41708885820765 (2.46482e-06% change) - linmin: converged after 21 iterations. - iteration 17: trace = 5.417088812132393 (8.50554e-07% change) - linmin: converged after 10 iterations. - iteration 18: trace = 5.417088788744924 (4.31735e-07% change) - linmin: converged after 3 iterations. - iteration 19: trace = 5.417088776389863 (2.28076e-07% change) - linmin: converged after 3 iterations. - iteration 20: trace = 5.417088770680246 (1.054e-07% change) + iteration 18: trace = 5.417088788744941 (4.31735e-07% change) + linmin: converged after 30 iterations. + iteration 19: trace = 5.417088776389869 (2.28076e-07% change) linmin: converged after 4 iterations. - iteration 21: trace = 5.417088768321163 (4.35489e-08% change) - linmin: converged after 21 iterations. - iteration 22: trace = 5.417088767370204 (1.75548e-08% change) + iteration 20: trace = 5.417088770680234 (1.054e-07% change) linmin: converged after 4 iterations. - iteration 23: trace = 5.417088766928416 (8.15547e-09% change) - linmin: converged after 3 iterations. - iteration 24: trace = 5.417088766681355 (4.56077e-09% change) + iteration 21: trace = 5.417088768321147 (4.3549e-08% change) + linmin: converged after 15 iterations. + iteration 22: trace = 5.417088767370196 (1.75546e-08% change) + linmin: converged after 20 iterations. + iteration 23: trace = 5.417088766928412 (8.15538e-09% change) + linmin: converged after 5 iterations. + iteration 24: trace = 5.417088766681355 (4.56069e-09% change) + linmin: converged after 8 iterations. + iteration 25: trace = 5.417088766554595 (2.34e-09% change) linmin: converged after 6 iterations. - iteration 25: trace = 5.417088766554595 (2.33998e-09% change) - linmin: converged after 9 iterations. - iteration 26: trace = 5.417088766462991 (1.69104e-09% change) - linmin: converged after 3 iterations. - iteration 27: trace = 5.417088766423708 (7.25156e-10% change) + iteration 26: trace = 5.417088766462988 (1.69109e-09% change) + linmin: converged after 7 iterations. + iteration 27: trace = 5.417088766423695 (7.25353e-10% change) linmin: converged after 4 iterations. - iteration 28: trace = 5.417088766412556 (2.05866e-10% change) + iteration 28: trace = 5.417088766412559 (2.05571e-10% change) linmin: converged after 3 iterations. - iteration 29: trace = 5.417088766409226 (6.14845e-11% change) + iteration 29: trace = 5.417088766409226 (6.15173e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.22997021675109863 +elapsed time for k point: 0.18443775177001953 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 5.600203178992942 (1.22609% change) - linmin: converged after 5 iterations. - iteration 2: trace = 5.54949890238194 (0.909518% change) + iteration 1: trace = 5.600203178968642 (1.22609% change) linmin: converged after 7 iterations. - iteration 3: trace = 5.534363640712009 (0.273104% change) + iteration 2: trace = 5.549498902368139 (0.909518% change) + linmin: converged after 5 iterations. + iteration 3: trace = 5.53436364070157 (0.273104% change) linmin: converged after 4 iterations. - iteration 4: trace = 5.527272903139394 (0.128204% change) + iteration 4: trace = 5.527272903155036 (0.128204% change) linmin: converged after 4 iterations. - iteration 5: trace = 5.524129966094115 (0.0568785% change) + iteration 5: trace = 5.524129966091283 (0.0568785% change) linmin: converged after 3 iterations. - iteration 6: trace = 5.523244061864359 (0.0160383% change) + iteration 6: trace = 5.52324406186044 (0.0160383% change) linmin: converged after 3 iterations. - iteration 7: trace = 5.522921055230325 (0.0058483% change) + iteration 7: trace = 5.522921055216066 (0.0058483% change) linmin: converged after 3 iterations. - iteration 8: trace = 5.522756882390533 (0.00297262% change) - linmin: converged after 4 iterations. - iteration 9: trace = 5.522649699671239 (0.00194077% change) + iteration 8: trace = 5.522756882379566 (0.00297262% change) linmin: converged after 4 iterations. - iteration 10: trace = 5.52254069646429 (0.00197377% change) + iteration 9: trace = 5.522649699667765 (0.00194077% change) linmin: converged after 4 iterations. - iteration 11: trace = 5.522446530191868 (0.00170514% change) + iteration 10: trace = 5.522540696465957 (0.00197377% change) linmin: converged after 4 iterations. - iteration 12: trace = 5.522358366928774 (0.00159647% change) + iteration 11: trace = 5.5224465301913 (0.00170514% change) + linmin: converged after 6 iterations. + iteration 12: trace = 5.522358366920833 (0.00159647% change) + linmin: converged after 5 iterations. + iteration 13: trace = 5.522300787115949 (0.00104267% change) linmin: converged after 3 iterations. - iteration 13: trace = 5.522300787120916 (0.00104267% change) - linmin: converged after 4 iterations. - iteration 14: trace = 5.522279640463562 (0.000382933% change) + iteration 14: trace = 5.522279640461774 (0.000382933% change) linmin: converged after 3 iterations. - iteration 15: trace = 5.522271218167742 (0.000152515% change) + iteration 15: trace = 5.522271218167429 (0.000152515% change) linmin: converged after 3 iterations. - iteration 16: trace = 5.522268619549806 (4.70571e-05% change) - linmin: converged after 4 iterations. - iteration 17: trace = 5.522267958291888 (1.19744e-05% change) + iteration 16: trace = 5.522268619549703 (4.70571e-05% change) + linmin: converged after 9 iterations. + iteration 17: trace = 5.522267958291809 (1.19744e-05% change) linmin: converged after 2 iterations. - iteration 18: trace = 5.522267758808152 (3.61235e-06% change) - linmin: converged after 3 iterations. - iteration 19: trace = 5.522267691563167 (1.21771e-06% change) + iteration 18: trace = 5.522267758808104 (3.61235e-06% change) + linmin: converged after 21 iterations. + iteration 19: trace = 5.522267691563151 (1.21771e-06% change) linmin: converged after 2 iterations. - iteration 20: trace = 5.522267667643991 (4.3314e-07% change) + iteration 20: trace = 5.522267667644027 (4.3314e-07% change) + linmin: converged after 3 iterations. + iteration 21: trace = 5.522267656937735 (1.93875e-07% change) linmin: converged after 4 iterations. - iteration 21: trace = 5.522267656937725 (1.93874e-07% change) + iteration 22: trace = 5.522267653032039 (7.07263e-08% change) + linmin: converged after 2 iterations. + iteration 23: trace = 5.522267650435005 (4.70284e-08% change) linmin: converged after 18 iterations. - iteration 22: trace = 5.522267653032028 (7.07263e-08% change) - linmin: converged after 22 iterations. - iteration 23: trace = 5.522267650434996 (4.70284e-08% change) - linmin: converged after 17 iterations. - iteration 24: trace = 5.522267648929227 (2.72672e-08% change) - linmin: converged after 7 iterations. - iteration 25: trace = 5.522267648122262 (1.46129e-08% change) + iteration 24: trace = 5.522267648929232 (2.72673e-08% change) linmin: converged after 4 iterations. - iteration 26: trace = 5.522267647457964 (1.20294e-08% change) - linmin: converged after 4 iterations. - iteration 27: trace = 5.522267646822531 (1.15067e-08% change) - linmin: converged after 4 iterations. - iteration 28: trace = 5.522267646290373 (9.63659e-09% change) + iteration 25: trace = 5.522267648122273 (1.46128e-08% change) + linmin: converged after 18 iterations. + iteration 26: trace = 5.522267647457976 (1.20294e-08% change) + linmin: converged after 21 iterations. + iteration 27: trace = 5.522267646822536 (1.15069e-08% change) linmin: converged after 7 iterations. - iteration 29: trace = 5.522267645965349 (5.88569e-09% change) + iteration 28: trace = 5.522267646290378 (9.63659e-09% change) + linmin: converged after 6 iterations. + iteration 29: trace = 5.522267645965347 (5.88582e-09% change) + linmin: converged after 16 iterations. + iteration 30: trace = 5.522267645803384 (2.93291e-09% change) linmin: converged after 4 iterations. - iteration 30: trace = 5.522267645803383 (2.93295e-09% change) - linmin: converged after 8 iterations. - iteration 31: trace = 5.522267645716783 (1.5682e-09% change) + iteration 31: trace = 5.522267645716791 (1.56808e-09% change) linmin: converged after 12 iterations. - iteration 32: trace = 5.52226764567925 (6.79676e-10% change) - linmin: converged after 5 iterations. - iteration 33: trace = 5.522267645667596 (2.11033e-10% change) + iteration 32: trace = 5.522267645679258 (6.7966e-10% change) linmin: converged after 3 iterations. - iteration 34: trace = 5.522267645664736 (5.17891e-11% change) + iteration 33: trace = 5.522267645667593 (2.11226e-10% change) + linmin: converged after 18 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: 0.26992177963256836 +elapsed time for k point: 0.22858476638793945 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. - iteration 1: trace = 5.623415343689584 (0.88056% change) + iteration 1: trace = 5.62341534368737 (0.88056% change) linmin: converged after 5 iterations. - iteration 2: trace = 5.591482468798356 (0.569472% change) + iteration 2: trace = 5.591482468800743 (0.569472% change) linmin: converged after 5 iterations. - iteration 3: trace = 5.580951640938904 (0.188514% change) + iteration 3: trace = 5.580951640943377 (0.188514% change) linmin: converged after 5 iterations. - iteration 4: trace = 5.575083172740608 (0.105207% change) + iteration 4: trace = 5.575083172746053 (0.105207% change) linmin: converged after 5 iterations. - iteration 5: trace = 5.571618736262284 (0.0621607% change) + iteration 5: trace = 5.571618736263162 (0.0621607% change) linmin: converged after 4 iterations. - iteration 6: trace = 5.570324107766295 (0.0232388% change) + iteration 6: trace = 5.570324107766726 (0.0232388% change) linmin: converged after 4 iterations. - iteration 7: trace = 5.569686885895645 (0.0114402% change) + iteration 7: trace = 5.569686885896047 (0.0114402% change) linmin: converged after 4 iterations. - iteration 8: trace = 5.56946065641691 (0.00406188% change) + iteration 8: trace = 5.569460656417291 (0.00406188% change) linmin: converged after 4 iterations. - iteration 9: trace = 5.569345938947366 (0.00205978% change) + iteration 9: trace = 5.569345938947778 (0.00205978% change) linmin: converged after 4 iterations. - iteration 10: trace = 5.569289951397795 (0.00100529% change) + iteration 10: trace = 5.569289951398211 (0.00100529% change) linmin: converged after 5 iterations. - iteration 11: trace = 5.5692568807753 (0.000593805% change) - linmin: converged after 5 iterations. - iteration 12: trace = 5.569207664427222 (0.000883719% change) - linmin: converged after 3 iterations. - iteration 13: trace = 5.569133502528049 (0.00133165% change) + iteration 11: trace = 5.569256880775744 (0.000593805% change) + linmin: converged after 4 iterations. + iteration 12: trace = 5.569207664427732 (0.000883719% change) + linmin: converged after 4 iterations. + iteration 13: trace = 5.569133502528681 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. - iteration 14: trace = 5.568684283158857 (0.00806656% change) + iteration 14: trace = 5.568684283160868 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. - iteration 15: trace = 5.566399673345931 (0.0410344% change) - linmin: converged after 5 iterations. - iteration 16: trace = 5.565541201869147 (0.0154236% change) - linmin: converged after 5 iterations. - iteration 17: trace = 5.564709389094751 (0.0149469% change) + iteration 15: trace = 5.566399673346774 (0.0410344% change) + linmin: converged after 4 iterations. + iteration 16: trace = 5.565541201870736 (0.0154236% change) linmin: converged after 7 iterations. - iteration 18: trace = 5.563783785139663 (0.0166348% change) - linmin: converged after 5 iterations. - iteration 19: trace = 5.562668008808352 (0.0200563% change) + iteration 17: trace = 5.564709389097242 (0.0149469% change) + linmin: converged after 7 iterations. + iteration 18: trace = 5.563783785143787 (0.0166348% change) linmin: converged after 5 iterations. - iteration 20: trace = 5.561318637790889 (0.0242606% change) + iteration 19: trace = 5.562668008815587 (0.0200563% change) linmin: converged after 6 iterations. - iteration 21: trace = 5.559813631246596 (0.0270657% change) - linmin: converged after 4 iterations. - iteration 22: trace = 5.558314618713583 (0.0269652% change) - linmin: converged after 10 iterations. - iteration 23: trace = 5.556960245069321 (0.0243696% change) - linmin: converged after 13 iterations. - iteration 24: trace = 5.555789586225054 (0.0210688% change) + iteration 20: trace = 5.561318637802741 (0.0242606% change) + linmin: converged after 6 iterations. + iteration 21: trace = 5.559813631263306 (0.0270657% change) linmin: converged after 5 iterations. - iteration 25: trace = 5.55479872055854 (0.0178364% change) - linmin: converged after 4 iterations. - iteration 26: trace = 5.553994113747302 (0.0144859% change) - linmin: converged after 4 iterations. - iteration 27: trace = 5.553376035493455 (0.0111292% change) + iteration 22: trace = 5.558314618733632 (0.0269652% change) + linmin: converged after 9 iterations. + iteration 23: trace = 5.556960245090806 (0.0243696% change) + linmin: converged after 5 iterations. + iteration 24: trace = 5.555789586891551 (0.0210687% change) + linmin: converged after 6 iterations. + iteration 25: trace = 5.55479872131199 (0.0178364% change) linmin: converged after 4 iterations. - iteration 28: trace = 5.552913676504293 (0.00832607% change) + iteration 26: trace = 5.553994114458608 (0.0144859% change) linmin: converged after 4 iterations. - iteration 29: trace = 5.552555837785826 (0.00644437% change) + iteration 27: trace = 5.553376036168347 (0.0111292% change) linmin: converged after 4 iterations. - iteration 30: trace = 5.552254969621722 (0.0054187% change) + iteration 28: trace = 5.552913677140971 (0.00832608% change) linmin: converged after 4 iterations. - iteration 31: trace = 5.551980060557256 (0.00495143% change) + iteration 29: trace = 5.552555838391026 (0.00644437% change) linmin: converged after 4 iterations. - iteration 32: trace = 5.551718956583287 (0.00470301% change) + iteration 30: trace = 5.552254970204107 (0.0054187% change) linmin: converged after 4 iterations. - iteration 33: trace = 5.551473590067667 (0.00441975% change) + iteration 31: trace = 5.551980061121004 (0.00495143% change) linmin: converged after 4 iterations. - iteration 34: trace = 5.551249526417464 (0.00403619% change) + iteration 32: trace = 5.551718957127657 (0.00470301% change) linmin: converged after 4 iterations. - iteration 35: trace = 5.551047677046615 (0.00363617% change) + iteration 33: trace = 5.551473590590482 (0.00441975% change) linmin: converged after 4 iterations. - iteration 36: trace = 5.550864324825069 (0.00330307% change) + iteration 34: trace = 5.551249526918544 (0.00403619% change) linmin: converged after 4 iterations. - iteration 37: trace = 5.550695188730021 (0.00304707% change) - linmin: converged after 3 iterations. - iteration 38: trace = 5.550537717614253 (0.002837% change) - linmin: converged after 3 iterations. - iteration 39: trace = 5.550390744693352 (0.00264794% change) + iteration 35: trace = 5.551047677527746 (0.00363617% change) linmin: converged after 3 iterations. - iteration 40: trace = 5.550253430259206 (0.00247399% change) + iteration 36: trace = 5.550864325287846 (0.00330307% change) + linmin: converged after 4 iterations. + iteration 37: trace = 5.550695189175056 (0.00304707% change) + linmin: converged after 5 iterations. + iteration 38: trace = 5.550537718041763 (0.002837% change) linmin: converged after 3 iterations. - iteration 41: trace = 5.550124903241969 (0.00231572% change) + iteration 39: trace = 5.550390745104088 (0.00264794% change) linmin: converged after 4 iterations. - iteration 42: trace = 5.550004421559369 (0.00217082% change) + iteration 40: trace = 5.550253430654507 (0.00247399% change) linmin: converged after 3 iterations. - iteration 43: trace = 5.549891461428066 (0.00203534% change) + iteration 41: trace = 5.550124903623208 (0.00231572% change) linmin: converged after 3 iterations. - iteration 44: trace = 5.549785756475371 (0.00190465% change) + iteration 42: trace = 5.550004421927373 (0.00217082% change) linmin: converged after 3 iterations. - iteration 45: trace = 5.549687477092357 (0.00177088% change) + iteration 43: trace = 5.549891461783024 (0.00203534% change) + linmin: converged after 9 iterations. + iteration 44: trace = 5.54978575681697 (0.00190465% change) linmin: converged after 3 iterations. - iteration 46: trace = 5.549597231059002 (0.00162616% change) + iteration 45: trace = 5.549687477761409 (0.00177088% change) linmin: converged after 3 iterations. - iteration 47: trace = 5.549515437514302 (0.00147388% change) + iteration 46: trace = 5.549597231686744 (0.00162616% change) linmin: converged after 3 iterations. - iteration 48: trace = 5.549441430505917 (0.00133358% change) + iteration 47: trace = 5.549515438112582 (0.00147388% change) linmin: converged after 3 iterations. - iteration 49: trace = 5.549373300133808 (0.00122771% change) + iteration 48: trace = 5.549441431081812 (0.00133359% change) linmin: converged after 3 iterations. - iteration 50: trace = 5.549308831509652 (0.00116173% change) + iteration 49: trace = 5.549373300689108 (0.00122771% change) linmin: converged after 3 iterations. - iteration 51: trace = 5.549246789252495 (0.00111802% change) + iteration 50: trace = 5.549308832043652 (0.00116174% change) + linmin: converged after 4 iterations. + iteration 51: trace = 5.549246789764294 (0.00111802% change) linmin: converged after 3 iterations. - iteration 52: trace = 5.549187392702872 (0.00107036% change) + iteration 52: trace = 5.549187393192448 (0.00107036% change) linmin: converged after 3 iterations. - iteration 53: trace = 5.549131424282619 (0.00100859% change) + iteration 53: trace = 5.549131424750663 (0.00100859% change) linmin: converged after 3 iterations. - iteration 54: trace = 5.549078953950442 (0.000945564% change) + iteration 54: trace = 5.549078954397846 (0.000945564% change) + linmin: converged after 4 iterations. + iteration 55: trace = 5.549029214673743 (0.000896364% change) linmin: converged after 3 iterations. - iteration 55: trace = 5.549029214246225 (0.000896364% change) + iteration 56: trace = 5.548981603677515 (0.00085801% change) linmin: converged after 3 iterations. - iteration 56: trace = 5.54898160326973 (0.000858009% change) + iteration 57: trace = 5.548936441699071 (0.000813882% change) linmin: converged after 3 iterations. - iteration 57: trace = 5.54893644131103 (0.000813882% change) + iteration 58: trace = 5.548894438724828 (0.000756958% change) + linmin: converged after 4 iterations. + iteration 59: trace = 5.548855472550527 (0.000702236% change) linmin: converged after 3 iterations. - iteration 58: trace = 5.548894438355841 (0.000756958% change) + iteration 60: trace = 5.548818214518864 (0.000671457% change) linmin: converged after 3 iterations. - iteration 59: trace = 5.54885547219858 (0.000702235% change) + iteration 61: trace = 5.548780940681559 (0.000671746% change) linmin: converged after 3 iterations. - iteration 60: trace = 5.548818214181233 (0.000671456% change) + iteration 62: trace = 5.5487427193085 (0.000688827% change) linmin: converged after 3 iterations. - iteration 61: trace = 5.548780940356195 (0.000671746% change) - linmin: converged after 4 iterations. - iteration 62: trace = 5.548742718995132 (0.000688827% change) + iteration 63: trace = 5.54870407028055 (0.000696539% change) linmin: converged after 3 iterations. - iteration 63: trace = 5.548704069980684 (0.000696539% change) + iteration 64: trace = 5.548666460728142 (0.00067781% change) linmin: converged after 3 iterations. - iteration 64: trace = 5.548666460443484 (0.00067781% change) + iteration 65: trace = 5.54863115808153 (0.000636239% change) linmin: converged after 3 iterations. - iteration 65: trace = 5.548631157812784 (0.000636238% change) + iteration 66: trace = 5.548598782990382 (0.000583481% change) linmin: converged after 3 iterations. - iteration 66: trace = 5.548598782737487 (0.00058348% change) + iteration 67: trace = 5.548569724009925 (0.000523719% change) linmin: converged after 3 iterations. - iteration 67: trace = 5.548569723773046 (0.000523719% change) - linmin: converged after 4 iterations. - iteration 68: trace = 5.548544403250723 (0.000456344% change) - linmin: converged after 5 iterations. - iteration 69: trace = 5.54852291959788 (0.000387195% change) + iteration 68: trace = 5.548544403471602 (0.000456345% change) + linmin: converged after 3 iterations. + iteration 69: trace = 5.548522919804001 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) - linmin: converged after 5 iterations. - iteration 70: trace = 5.548329976694497 (0.00347743% change) + linmin: converged after 6 iterations. + iteration 70: trace = 5.548329976793028 (0.00347744% change) linmin: converged after 8 iterations. - iteration 71: trace = 5.548232222528725 (0.00176188% change) + iteration 71: trace = 5.548232222591849 (0.00176188% change) linmin: converged after 4 iterations. - iteration 72: trace = 5.548180081080814 (0.000939789% change) - linmin: converged after 5 iterations. - iteration 73: trace = 5.548158373786155 (0.000391251% change) + iteration 72: trace = 5.548180081119908 (0.00093979% change) linmin: converged after 4 iterations. - iteration 74: trace = 5.548148375773417 (0.000180204% change) - linmin: converged after 3 iterations. - iteration 75: trace = 5.548144673473507 (6.67304e-05% change) - linmin: converged after 3 iterations. - iteration 76: trace = 5.548141864891512 (5.0622e-05% change) + iteration 73: trace = 5.54815837380225 (0.000391252% change) linmin: converged after 3 iterations. - iteration 77: trace = 5.548138837044793 (5.45741e-05% change) + iteration 74: trace = 5.548148375781285 (0.000180204% change) + linmin: converged after 5 iterations. + iteration 75: trace = 5.548144673480031 (6.67304e-05% change) linmin: converged after 3 iterations. - iteration 78: trace = 5.548134589429233 (7.65593e-05% change) - linmin: converged after 4 iterations. - iteration 79: trace = 5.548128746381331 (0.000105316% change) - linmin: converged after 4 iterations. - iteration 80: trace = 5.548123649319518 (9.187e-05% change) + iteration 76: trace = 5.548141864896983 (5.0622e-05% change) linmin: converged after 4 iterations. - iteration 81: trace = 5.548120939113862 (4.88491e-05% change) + iteration 77: trace = 5.54813883704982 (5.45741e-05% change) + linmin: converged after 5 iterations. + iteration 78: trace = 5.548134589433997 (7.65593e-05% change) + linmin: converged after 5 iterations. + iteration 79: trace = 5.548128746385434 (0.000105316% change) linmin: converged after 6 iterations. - iteration 82: trace = 5.548119009802553 (3.47741e-05% change) - linmin: converged after 3 iterations. - iteration 83: trace = 5.548118262534253 (1.34689e-05% change) + iteration 80: trace = 5.548123649324028 (9.187e-05% change) linmin: converged after 5 iterations. - iteration 84: trace = 5.548117907881999 (6.3923e-06% change) + iteration 81: trace = 5.548120939116682 (4.88491e-05% change) + linmin: converged after 4 iterations. + iteration 82: trace = 5.54811900980349 (3.47742e-05% change) + linmin: converged after 3 iterations. + iteration 83: trace = 5.548118262534452 (1.34689e-05% change) + linmin: converged after 11 iterations. + iteration 84: trace = 5.548117907882061 (6.3923e-06% change) linmin: converged after 2 iterations. - iteration 85: trace = 5.54811780201584 (1.90815e-06% change) + iteration 85: trace = 5.548117802015859 (1.90815e-06% change) linmin: converged after 2 iterations. - iteration 86: trace = 5.54811774168687 (1.08738e-06% change) + iteration 86: trace = 5.548117741686893 (1.08738e-06% change) linmin: converged after 3 iterations. - iteration 87: trace = 5.548117729428171 (2.20952e-07% change) - linmin: converged after 27 iterations. - iteration 88: trace = 5.548117726415593 (5.42991e-08% change) - linmin: converged after 15 iterations. - iteration 89: trace = 5.548117725588878 (1.49008e-08% change) - linmin: converged after 2 iterations. - iteration 90: trace = 5.548117725372818 (3.89429e-09% change) - linmin: converged after 6 iterations. - iteration 91: trace = 5.548117725334787 (6.85474e-10% change) - linmin: converged after 15 iterations. - iteration 92: trace = 5.548117725327039 (1.39659e-10% change) + iteration 87: trace = 5.548117729428172 (2.20953e-07% change) linmin: converged after 3 iterations. - iteration 93: trace = 5.548117725324989 (3.6948e-11% change) + iteration 88: trace = 5.548117726415601 (5.4299e-08% change) + linmin: converged after 4 iterations. + iteration 89: trace = 5.548117725588877 (1.4901e-08% change) + linmin: converged after 4 iterations. + iteration 90: trace = 5.548117725372831 (3.89405e-09% change) + linmin: converged after 4 iterations. + iteration 91: trace = 5.548117725334808 (6.8533e-10% change) + linmin: converged after 3 iterations. + iteration 92: trace = 5.548117725327039 (1.40028e-10% change) + linmin: converged after 4 iterations. + iteration 93: trace = 5.548117725324978 (3.71401e-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: 0.5202524662017822 -Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> -Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> -Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> -Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> -Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> -Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> -Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> -Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> -Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% -Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% +.elapsed time for k point: 0.9988367557525635 +Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448985 at Vector3<0.5, 0.5, 0.0> +Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.593140514116089 at Vector3<0.5, 0.5, 0.0> +Band 3 range: 0.593153586311783 at Vector3<0.5, 0.5, 0.0> to 0.773226559306975 at Vector3<0.0, 0.0, 0.0> +Band 4 range: 0.6791690130757005 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677105 at Vector3<0.3, 0.3, 0.0> +Band 5 range: 0.8241814443502159 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855889 at Vector3<0.0, 0.0, 0.0> +Band 6 range: 0.8819770916660681 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> +Band 7 range: 0.8819818134421847 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> +Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.111917370755692 at Vector3<0.5, 0.5, 0.0> +Gap from band 2 (0.593140514116089) to band 3 (0.593153586311783), 0.0022038709775770667% +Gap from band 4 (0.8096891551677105) to band 5 (0.8241814443502159), 1.7739824912427455% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% -total elapsed time for run: 4.57701849937439 +total elapsed time for run: 17.387330293655396 done -/tmp/meepNmMUdV/test_run_te-0: 4.58s +/tmp/meep1SOGmO/test_run_te-0: 17.41s -/tmp/meepNmMUdV/test_run_te_no_geometry-0 +/tmp/meep1SOGmO/test_run_te_no_geometry-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-07 tolerance @@ -76088,7 +72267,7 @@ 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: 0.003021717071533203 +elapsed time for initialization: 0.0018169879913330078 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... @@ -76111,7 +72290,7 @@ 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: 0.04884815216064453 +elapsed time for k point: 0.21495509147644043 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... near maximum in trace @@ -76121,35 +72300,35 @@ iteration 2: trace = 9.880000004055375 (1.30806e-06% change) Finished solving for bands 1 to 8 after 2 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.1, 0.9, 1.00499, 1.00499, 1.1, 1.34536, 1.34536, 1.48661 -elapsed time for k point: 0.02163410186767578 +elapsed time for k point: 0.08649468421936035 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 9.920000000339346 (3.76491e-08% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.2, 0.8, 1.0198, 1.0198, 1.2, 1.28062, 1.28062, 1.56205 -elapsed time for k point: 0.013120889663696289 +elapsed time for k point: 0.04719853401184082 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 10.12000000005403 (2.56717e-09% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.3, 0.7, 1.04403, 1.04403, 1.22066, 1.22066, 1.3, 1.64012 -elapsed time for k point: 0.01376652717590332 +elapsed time for k point: 0.03572392463684082 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 10.48000000000711 (3.43847e-10% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.4, 0.6, 1.07703, 1.07703, 1.16619, 1.16619, 1.4, 1.72047 -elapsed time for k point: 0.0133056640625 +elapsed time for k point: 0.03490114212036133 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 10.99999999989867 (8.98061e-10% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.5, 0.5, 1.11803, 1.11803, 1.11803, 1.11803, 1.5, 1.80278 -elapsed time for k point: 0.013605833053588867 +elapsed time for k point: 0.04393768310546875 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... near maximum in trace @@ -76159,7 +72338,7 @@ 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: 0.020853281021118164 +elapsed time for k point: 0.07360959053039551 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... near maximum in trace @@ -76169,7 +72348,7 @@ iteration 2: trace = 10.72763986668089 (7.95051e-07% change) Finished solving for bands 1 to 8 after 2 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.538516, 0.566775, 0.956971, 0.9598, 1.3061, 1.30974, 1.52004, 1.59611 -elapsed time for k point: 0.021490097045898438 +elapsed time for k point: 0.05804896354675293 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -76190,21 +72369,21 @@ iteration 8: trace = 10.72000017693059 (3.99177e-06% change) Finished solving for bands 1 to 8 after 8 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.583095, 0.583095, 0.860233, 0.860233, 1.39284, 1.39284, 1.52971, 1.52971 -elapsed time for k point: 0.06755661964416504 +elapsed time for k point: 0.22186493873596191 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: 0.013940572738647461 +elapsed time for k point: 0.05125260353088379 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: 0.013231992721557617 +elapsed time for k point: 0.04750561714172363 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... near maximum in trace @@ -76366,35 +72545,35 @@ 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: 0.6028127670288086 +elapsed time for k point: 4.715913772583008 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: 0.013787984848022461 +elapsed time for k point: 0.05180096626281738 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 9.84000000175697 (1.78163e-07% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.282843, 0.824621, 0.824621, 1.13137, 1.21655, 1.21655, 1.44222, 1.44222 -elapsed time for k point: 0.01311492919921875 +elapsed time for k point: 0.1411294937133789 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 9.760000000165839 (2.02392e-08% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.141421, 0.905539, 0.905539, 1.10454, 1.10454, 1.27279, 1.42127, 1.42127 -elapsed time for k point: 0.013820171356201172 +elapsed time for k point: 0.10672712326049805 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 1 iterations. iteration 1: trace = 10.00000000001522 (1.76504e-09% change) Finished solving for bands 2 to 8 after 1 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 1, 1, 1, 1, 1.41421, 1.41421, 1.41421 -.elapsed time for k point: 0.00955510139465332 +.elapsed time for k point: 0.017858028411865234 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.7071067811865476 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.5000000000350688 at Vector3<0.5, 0.0, 0.0> to 1.000000000046465 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.7071067811884203 at Vector3<0.5, 0.5, 0.0> to 1.1180339887555266 at Vector3<0.5, 0.0, 0.0> @@ -76403,11 +72582,11 @@ Band 6 range: 1.118033988768711 at Vector3<0.5, 0.0, 0.0> to 1.581138830085846 at Vector3<0.5, 0.5, 0.0> Band 7 range: 1.2806248475164044 at Vector3<0.2, 0.0, 0.0> to 1.5811388300892408 at Vector3<0.5, 0.5, 0.0> Band 8 range: 1.4142135623752834 at Vector3<0.0, 0.0, 0.0> to 1.8027756376524438 at Vector3<0.5, 0.0, 0.0> -total elapsed time for run: 0.9193065166473389 +total elapsed time for run: 5.952919960021973 done -/tmp/meepNmMUdV/test_run_te_no_geometry-0: 0.92s +/tmp/meep1SOGmO/test_run_te_no_geometry-0: 5.95s -/tmp/meepNmMUdV/test_run_te_with_mu_material-0 +/tmp/meep1SOGmO/test_run_te_with_mu_material-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -76451,7 +72630,7 @@ 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: 0.005692243576049805 +elapsed time for initialization: 0.02025127410888672 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... @@ -76869,7 +73048,7 @@ iteration 204: trace = 6.854300770958496 (9.20275e-11% change) Finished solving for bands 2 to 8 after 204 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.669987, 0.783178, 0.78318, 0.965522, 1.18154, 1.18154, 1.20597 -elapsed time for k point: 2.165658712387085 +elapsed time for k point: 8.003705739974976 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -77238,7 +73417,7 @@ iteration 153: trace = 6.791967496517151 (9.80113e-11% change) Finished solving for bands 1 to 8 after 153 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0813996, 0.654814, 0.784954, 0.787051, 0.973107, 1.147, 1.15475, 1.23489 -elapsed time for k point: 2.3793716430664062 +elapsed time for k point: 9.131779909133911 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -77484,7 +73663,7 @@ iteration 106: trace = 6.760812143881644 (7.76406e-11% change) Finished solving for bands 1 to 8 after 106 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.161634, 0.615231, 0.789764, 0.798457, 0.982219, 1.11674, 1.12242, 1.27406 -elapsed time for k point: 1.6500945091247559 +elapsed time for k point: 4.624043703079224 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -77711,7 +73890,7 @@ iteration 101: trace = 6.801884535649956 (3.96305e-11% change) Finished solving for bands 1 to 8 after 101 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.238847, 0.561888, 0.796082, 0.816438, 0.967926, 1.09564, 1.12526, 1.31351 -elapsed time for k point: 1.57252836227417 +elapsed time for k point: 6.501220703125 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -78033,3224 +74212,3136 @@ linmin: converged after 4 iterations. iteration 152: trace = 6.776389595229094 (0.146229% change) linmin: converged after 4 iterations. - iteration 153: trace = 6.762501080820075 (0.205165% change) + iteration 153: trace = 6.762501080820078 (0.205165% change) linmin: converged after 4 iterations. iteration 154: trace = 6.753170385803704 (0.138072% change) linmin: converged after 4 iterations. - iteration 155: trace = 6.743925282478452 (0.136994% change) - linmin: converged after 4 iterations. - iteration 156: trace = 6.736994478099864 (0.102824% change) + iteration 155: trace = 6.743925282478449 (0.136994% change) linmin: converged after 4 iterations. - iteration 157: trace = 6.732878238745272 (0.0611177% change) + iteration 156: trace = 6.736994478099859 (0.102824% change) linmin: converged after 4 iterations. - iteration 158: trace = 6.726657933453791 (0.0924297% change) + iteration 157: trace = 6.732878238745256 (0.0611177% change) linmin: converged after 4 iterations. - iteration 159: trace = 6.721195120311202 (0.0812444% change) + iteration 158: trace = 6.726657933453789 (0.0924297% change) linmin: converged after 4 iterations. - iteration 160: trace = 6.717648620160626 (0.0527798% change) - linmin: converged after 4 iterations. - iteration 161: trace = 6.713194200918324 (0.0663312% change) - linmin: converged after 4 iterations. - iteration 162: trace = 6.710505505507571 (0.0400589% change) + iteration 159: trace = 6.721195120311204 (0.0812444% change) linmin: converged after 3 iterations. - iteration 163: trace = 6.706901370255015 (0.0537233% change) + iteration 160: trace = 6.717648620160629 (0.0527798% change) + linmin: converged after 9 iterations. + iteration 161: trace = 6.713194200918354 (0.0663312% change) linmin: converged after 4 iterations. - iteration 164: trace = 6.705010608124311 (0.0281953% change) + iteration 162: trace = 6.710505504937696 (0.0400589% change) linmin: converged after 3 iterations. - iteration 165: trace = 6.701887653654738 (0.0465873% change) + iteration 163: trace = 6.706901369151968 (0.0537233% change) + linmin: converged after 4 iterations. + iteration 164: trace = 6.705010608085182 (0.0281953% change) linmin: converged after 3 iterations. - iteration 166: trace = 6.700031905240058 (0.0276938% change) + iteration 165: trace = 6.70188765506045 (0.0465873% change) linmin: converged after 3 iterations. - iteration 167: trace = 6.697510883943405 (0.0376341% change) + iteration 166: trace = 6.700031905898658 (0.0276938% change) linmin: converged after 3 iterations. - iteration 168: trace = 6.695584231985491 (0.0287708% change) + iteration 167: trace = 6.697510888054483 (0.037634% change) + linmin: converged after 4 iterations. + iteration 168: trace = 6.695584232456802 (0.0287709% change) linmin: converged after 3 iterations. - iteration 169: trace = 6.693804050386154 (0.0265909% change) + iteration 169: trace = 6.693804055526829 (0.0265909% change) linmin: converged after 3 iterations. - iteration 170: trace = 6.692039961790896 (0.0263575% change) + iteration 170: trace = 6.692039962871821 (0.0263576% change) linmin: converged after 4 iterations. - iteration 171: trace = 6.690949984623433 (0.016289% change) + iteration 171: trace = 6.690949988840293 (0.0162889% change) linmin: converged after 3 iterations. - iteration 172: trace = 6.68902122164707 (0.0288306% change) - linmin: converged after 5 iterations. - iteration 173: trace = 6.688226203086087 (0.0118861% change) + iteration 172: trace = 6.689021225820898 (0.0288306% change) + linmin: converged after 4 iterations. + iteration 173: trace = 6.688226203752949 (0.0118862% change) linmin: converged after 3 iterations. - iteration 174: trace = 6.687474377184295 (0.0112417% change) + iteration 174: trace = 6.687474380827883 (0.0112416% change) linmin: converged after 3 iterations. - iteration 175: trace = 6.686715446510494 (0.0113492% change) + iteration 175: trace = 6.686715447178671 (0.0113492% change) linmin: converged after 3 iterations. - iteration 176: trace = 6.68595815685937 (0.0113259% change) + iteration 176: trace = 6.68595816141414 (0.0113259% change) linmin: converged after 3 iterations. - iteration 177: trace = 6.685279864678321 (0.0101455% change) + iteration 177: trace = 6.68527986567914 (0.0101456% change) linmin: converged after 3 iterations. - iteration 178: trace = 6.68492616710768 (0.00529083% change) + iteration 178: trace = 6.684926169510021 (0.00529081% change) large trace change predicted (0.0113286%) linmin: converged after 3 iterations. - iteration 179: trace = 6.684160010954856 (0.0114616% change) - linmin: converged after 3 iterations. - iteration 180: trace = 6.683795301710827 (0.00545647% change) + iteration 179: trace = 6.684160014452743 (0.0114616% change) linmin: converged after 3 iterations. - iteration 181: trace = 6.683426309249661 (0.00552085% change) + iteration 180: trace = 6.68379530234466 (0.00545651% change) linmin: converged after 3 iterations. - iteration 182: trace = 6.683087980183506 (0.00506234% change) + iteration 181: trace = 6.683426312215122 (0.00552082% change) linmin: converged after 3 iterations. - iteration 183: trace = 6.682763608494613 (0.00485374% change) + iteration 182: trace = 6.683087980566226 (0.00506238% change) linmin: converged after 3 iterations. - iteration 184: trace = 6.68241451451494 (0.00522393% change) + iteration 183: trace = 6.68276361175373 (0.00485369% change) linmin: converged after 3 iterations. - iteration 185: trace = 6.682218185893361 (0.00293803% change) + iteration 184: trace = 6.682414515266442 (0.00522397% change) linmin: converged after 3 iterations. - iteration 186: trace = 6.681916579890395 (0.00451366% change) + iteration 185: trace = 6.682218187694787 (0.00293802% change) linmin: converged after 3 iterations. - iteration 187: trace = 6.681779640604578 (0.00204942% change) - linmin: converged after 5 iterations. - iteration 188: trace = 6.681606952405319 (0.0025845% change) - linmin: converged after 3 iterations. - iteration 189: trace = 6.681488504299757 (0.00177276% change) + iteration 186: trace = 6.681916581224351 (0.00451367% change) linmin: converged after 3 iterations. - iteration 190: trace = 6.681358270711396 (0.00194919% change) - linmin: converged after 19 iterations. - iteration 191: trace = 6.681230235127352 (0.00191633% change) + iteration 187: trace = 6.681779641167005 (0.00204943% change) linmin: converged after 5 iterations. - iteration 192: trace = 6.681128825531117 (0.00151784% change) + iteration 188: trace = 6.681606953872663 (0.00258448% change) linmin: converged after 4 iterations. - iteration 193: trace = 6.680953873403051 (0.00261864% change) + iteration 189: trace = 6.681488504563664 (0.00177278% change) linmin: converged after 3 iterations. - iteration 194: trace = 6.680873366488424 (0.00120503% change) - linmin: converged after 8 iterations. - iteration 195: trace = 6.680765389287529 (0.00161623% change) + iteration 190: trace = 6.681358272366602 (0.00194917% change) + linmin: converged after 10 iterations. + iteration 191: trace = 6.681230235500497 (0.00191635% change) linmin: converged after 5 iterations. - iteration 196: trace = 6.680693384687361 (0.0010778% change) - linmin: converged after 8 iterations. - iteration 197: trace = 6.680621052228344 (0.00108271% change) + iteration 192: trace = 6.6811288270835 (0.00151782% change) linmin: converged after 4 iterations. - iteration 198: trace = 6.680572671609273 (0.000724196% change) + iteration 193: trace = 6.680953874347516 (0.00261864% change) + linmin: converged after 3 iterations. + iteration 194: trace = 6.680873367074792 (0.00120503% change) linmin: converged after 5 iterations. - iteration 199: trace = 6.680536488810626 (0.000541614% change) + iteration 195: trace = 6.680765390544085 (0.00161622% change) + linmin: converged after 9 iterations. + iteration 196: trace = 6.680693385129812 (0.00107781% change) + linmin: converged after 6 iterations. + iteration 197: trace = 6.68062105366074 (0.0010827% change) + linmin: converged after 3 iterations. + iteration 198: trace = 6.680572671849443 (0.000724214% change) linmin: converged after 3 iterations. - iteration 200: trace = 6.680481376118935 (0.000824977% change) + iteration 199: trace = 6.680536490133266 (0.000541597% change) + linmin: converged after 3 iterations. + iteration 200: trace = 6.680481376728336 (0.000824988% change) linmin: converged after 5 iterations. - iteration 201: trace = 6.680455499665584 (0.000387345% change) + iteration 201: trace = 6.680455500315117 (0.000387344% change) linmin: converged after 3 iterations. - iteration 202: trace = 6.68041564127453 (0.000596644% change) + iteration 202: trace = 6.680415642440067 (0.000596636% change) linmin: converged after 3 iterations. - iteration 203: trace = 6.680384072110439 (0.000472564% change) + iteration 203: trace = 6.680384072694054 (0.000472573% change) linmin: converged after 3 iterations. - iteration 204: trace = 6.680340622965251 (0.000650401% change) + iteration 204: trace = 6.680340624959269 (0.00065038% change) linmin: converged after 3 iterations. - iteration 205: trace = 6.680309706798488 (0.000462794% change) + iteration 205: trace = 6.680309707236553 (0.000462818% change) + linmin: converged after 4 iterations. + iteration 206: trace = 6.680284460794091 (0.000377924% change) linmin: converged after 3 iterations. - iteration 206: trace = 6.680284458954871 (0.000377945% change) + iteration 207: trace = 6.680246429982121 (0.000569301% change) linmin: converged after 3 iterations. - iteration 207: trace = 6.680246429181477 (0.000569285% change) - linmin: converged after 5 iterations. - iteration 208: trace = 6.680230557518507 (0.000237591% change) + iteration 208: trace = 6.680230558103617 (0.000237594% change) linmin: converged after 3 iterations. - iteration 209: trace = 6.680212664956146 (0.000267844% change) + iteration 209: trace = 6.680212665706824 (0.000267841% change) resetting CG direction... linmin: converged after 3 iterations. - iteration 210: trace = 6.680199266028111 (0.000200577% change) - linmin: converged after 4 iterations. - iteration 211: trace = 6.680176330009624 (0.000343344% change) + iteration 210: trace = 6.680199266929479 (0.000200574% change) linmin: converged after 3 iterations. - iteration 212: trace = 6.680157131936122 (0.000287389% change) - linmin: converged after 4 iterations. - iteration 213: trace = 6.680148385961573 (0.000130925% change) - large trace change predicted (0.0002685%) + iteration 211: trace = 6.680176329495439 (0.000343365% change) linmin: converged after 3 iterations. - iteration 214: trace = 6.680130453617168 (0.000268443% change) - linmin: converged after 5 iterations. - iteration 215: trace = 6.680117119527826 (0.000199608% change) - linmin: converged after 4 iterations. - iteration 216: trace = 6.68011165523421 (8.17994e-05% change) + iteration 212: trace = 6.680157132337356 (0.000287375% change) + linmin: converged after 6 iterations. + iteration 213: trace = 6.680148386202022 (0.000130927% change) + large trace change predicted (0.000268503%) linmin: converged after 3 iterations. - iteration 217: trace = 6.680105070060253 (9.85788e-05% change) + iteration 214: trace = 6.680130453713534 (0.000268445% change) linmin: converged after 3 iterations. - iteration 218: trace = 6.680099229064786 (8.74387e-05% change) - linmin: converged after 9 iterations. - iteration 219: trace = 6.680096911225478 (3.46977e-05% change) + iteration 215: trace = 6.680117119837281 (0.000199605% change) linmin: converged after 4 iterations. - iteration 220: trace = 6.680092842385695 (6.09099e-05% change) - linmin: converged after 3 iterations. - iteration 221: trace = 6.680089179732932 (5.48294e-05% change) + iteration 216: trace = 6.680111655384402 (8.18018e-05% change) linmin: converged after 4 iterations. - iteration 222: trace = 6.680087434299887 (2.61289e-05% change) - large trace change predicted (5.58737e-05%) + iteration 217: trace = 6.68010507011362 (9.85803e-05% change) linmin: converged after 3 iterations. - iteration 223: trace = 6.680083701498131 (5.58796e-05% change) + iteration 218: trace = 6.680099229256731 (8.74366e-05% change) linmin: converged after 3 iterations. - iteration 224: trace = 6.680080072951409 (5.43189e-05% change) - linmin: converged after 4 iterations. - iteration 225: trace = 6.680078801599461 (1.9032e-05% change) + iteration 219: trace = 6.680096911351662 (3.46987e-05% change) + linmin: converged after 5 iterations. + iteration 220: trace = 6.680092842384724 (6.09118e-05% change) linmin: converged after 3 iterations. - iteration 226: trace = 6.680076350868536 (3.66872e-05% change) + iteration 221: trace = 6.680089179833528 (5.48279e-05% change) linmin: converged after 4 iterations. - iteration 227: trace = 6.680074690080565 (2.48618e-05% change) - linmin: converged after 9 iterations. - iteration 228: trace = 6.680073351032185 (2.00454e-05% change) - linmin: converged after 3 iterations. - iteration 229: trace = 6.680072854503119 (7.43299e-06% change) + iteration 222: trace = 6.680087434377293 (2.61292e-05% change) + large trace change predicted (5.58738e-05%) linmin: converged after 3 iterations. - iteration 230: trace = 6.68007209099912 (1.14296e-05% change) + iteration 223: trace = 6.680083701568315 (5.58797e-05% change) linmin: converged after 3 iterations. - iteration 231: trace = 6.680071248553808 (1.26113e-05% change) - linmin: converged after 5 iterations. - iteration 232: trace = 6.68007096020888 (4.31649e-06% change) - large trace change predicted (1.18528e-05%) - linmin: converged after 3 iterations. - iteration 233: trace = 6.680070168333757 (1.18543e-05% change) + iteration 224: trace = 6.680080072969977 (5.43197e-05% change) + linmin: converged after 4 iterations. + iteration 225: trace = 6.680078801637671 (1.90317e-05% change) + linmin: converged after 7 iterations. + iteration 226: trace = 6.680076350837193 (3.66882e-05% change) linmin: converged after 3 iterations. - iteration 234: trace = 6.680069654245933 (7.69584e-06% change) + iteration 227: trace = 6.680074690109035 (2.48609e-05% change) + linmin: converged after 8 iterations. + iteration 228: trace = 6.680073351070969 (2.00453e-05% change) linmin: converged after 3 iterations. - iteration 235: trace = 6.680069400467938 (3.79903e-06% change) + iteration 229: trace = 6.68007285452746 (7.4332e-06% change) linmin: converged after 3 iterations. - iteration 236: trace = 6.680069104628129 (4.42869e-06% change) + iteration 230: trace = 6.680072090994439 (1.143e-05% change) + linmin: converged after 4 iterations. + iteration 231: trace = 6.680071248584382 (1.26108e-05% change) linmin: converged after 3 iterations. - iteration 237: trace = 6.680068901394954 (3.04238e-06% change) - linmin: converged after 7 iterations. - iteration 238: trace = 6.68006881640772 (1.27225e-06% change) + iteration 232: trace = 6.680070960238667 (4.31651e-06% change) + large trace change predicted (1.18534e-05%) + linmin: converged after 5 iterations. + iteration 233: trace = 6.680070168326894 (1.18548e-05% change) + linmin: converged after 19 iterations. + iteration 234: trace = 6.68006965411633 (7.69768e-06% change) linmin: converged after 4 iterations. - iteration 239: trace = 6.680068659756556 (2.34505e-06% change) - linmin: converged after 11 iterations. - iteration 240: trace = 6.680068550664888 (1.63309e-06% change) + iteration 235: trace = 6.680069400433313 (3.79761e-06% change) linmin: converged after 4 iterations. - iteration 241: trace = 6.680068504921119 (6.8478e-07% change) + iteration 236: trace = 6.680069104629979 (4.42815e-06% change) linmin: converged after 4 iterations. - iteration 242: trace = 6.680068425445534 (1.18974e-06% change) + iteration 237: trace = 6.680068901432917 (3.04184e-06% change) + linmin: converged after 4 iterations. + iteration 238: trace = 6.680068816419869 (1.27264e-06% change) + linmin: converged after 6 iterations. + iteration 239: trace = 6.680068659755051 (2.34526e-06% change) linmin: converged after 5 iterations. - iteration 243: trace = 6.680068372309567 (7.9544e-07% change) + iteration 240: trace = 6.680068550683506 (1.63279e-06% change) + linmin: converged after 14 iterations. + iteration 241: trace = 6.680068504970169 (6.84324e-07% change) + linmin: converged after 6 iterations. + iteration 242: trace = 6.680068425446491 (1.19046e-06% change) + linmin: converged after 7 iterations. + iteration 243: trace = 6.680068372313352 (7.95398e-07% change) linmin: converged after 4 iterations. - iteration 244: trace = 6.68006834950997 (3.41308e-07% change) - linmin: converged after 3 iterations. - iteration 245: trace = 6.680068316253641 (4.97844e-07% change) + iteration 244: trace = 6.680068349511027 (3.41349e-07% change) linmin: converged after 3 iterations. - iteration 246: trace = 6.680068281843501 (5.15117e-07% change) - linmin: converged after 8 iterations. - iteration 247: trace = 6.680068263937255 (2.68055e-07% change) - linmin: converged after 5 iterations. - iteration 248: trace = 6.680068250330845 (2.03687e-07% change) - linmin: converged after 5 iterations. - iteration 249: trace = 6.680068235014073 (2.29291e-07% change) + iteration 245: trace = 6.680068316252574 (4.97876e-07% change) + linmin: converged after 7 iterations. + iteration 246: trace = 6.680068281840759 (5.15142e-07% change) + linmin: converged after 4 iterations. + iteration 247: trace = 6.680068263861698 (2.69145e-07% change) linmin: converged after 5 iterations. - iteration 250: trace = 6.680068219577296 (2.31087e-07% change) + iteration 248: trace = 6.680068250316288 (2.02774e-07% change) + linmin: converged after 7 iterations. + iteration 249: trace = 6.680068235011274 (2.29115e-07% change) linmin: converged after 5 iterations. - iteration 251: trace = 6.680068209701298 (1.47843e-07% change) + iteration 250: trace = 6.68006821953699 (2.31649e-07% change) linmin: converged after 4 iterations. - iteration 252: trace = 6.680068201057148 (1.29402e-07% change) - linmin: converged after 4 iterations. - iteration 253: trace = 6.680068196844695 (6.306e-08% change) - linmin: converged after 6 iterations. - iteration 254: trace = 6.680068194298988 (3.8109e-08% change) - linmin: converged after 6 iterations. - iteration 255: trace = 6.680068189734076 (6.83363e-08% change) + iteration 251: trace = 6.680068209700503 (1.47251e-07% change) linmin: converged after 4 iterations. - iteration 256: trace = 6.680068185375805 (6.52429e-08% change) + iteration 252: trace = 6.680068201055386 (1.29417e-07% change) linmin: converged after 4 iterations. - iteration 257: trace = 6.680068184273248 (1.65052e-08% change) + iteration 253: trace = 6.680068196815148 (6.3476e-08% change) linmin: converged after 4 iterations. - iteration 258: trace = 6.680068182522309 (2.62114e-08% change) - linmin: converged after 15 iterations. - iteration 259: trace = 6.68006818105756 (2.19271e-08% change) + iteration 254: trace = 6.68006819428233 (3.7916e-08% change) linmin: converged after 4 iterations. - iteration 260: trace = 6.680068180494168 (8.43394e-09% change) + iteration 255: trace = 6.680068189733394 (6.80972e-08% change) + linmin: converged after 7 iterations. + iteration 256: trace = 6.680068185326181 (6.59756e-08% change) + linmin: converged after 6 iterations. + iteration 257: trace = 6.680068184115238 (1.81277e-08% change) linmin: converged after 4 iterations. - iteration 261: trace = 6.680068179768361 (1.08653e-08% change) + iteration 258: trace = 6.680068182525833 (2.37932e-08% change) + linmin: converged after 7 iterations. + iteration 259: trace = 6.680068181099807 (2.13475e-08% change) linmin: converged after 4 iterations. - iteration 262: trace = 6.680068179147947 (9.28753e-09% change) + iteration 260: trace = 6.680068180538626 (8.40083e-09% change) linmin: converged after 4 iterations. - iteration 263: trace = 6.680068178733466 (6.20475e-09% change) + iteration 261: trace = 6.680068179768131 (1.15342e-08% change) linmin: converged after 4 iterations. - iteration 264: trace = 6.680068178533025 (3.00058e-09% change) - large trace change predicted (6.16407e-09%) + iteration 262: trace = 6.680068179150874 (9.24029e-09% change) linmin: converged after 4 iterations. - iteration 265: trace = 6.680068178121238 (6.16441e-09% change) + iteration 263: trace = 6.68006817875833 (5.87634e-09% change) linmin: converged after 4 iterations. - iteration 266: trace = 6.680068177961954 (2.38447e-09% change) + iteration 264: trace = 6.680068178534971 (3.34367e-09% change) + linmin: converged after 22 iterations. + iteration 265: trace = 6.680068178135892 (5.97418e-09% change) linmin: converged after 4 iterations. - iteration 267: trace = 6.680068177761544 (3.00012e-09% change) + iteration 266: trace = 6.680068178021659 (1.71006e-09% change) + large trace change predicted (3.85974e-09%) linmin: converged after 4 iterations. - iteration 268: trace = 6.680068177602848 (2.37565e-09% change) - linmin: converged after 13 iterations. - iteration 269: trace = 6.680068177506453 (1.44302e-09% change) - linmin: converged after 3 iterations. - iteration 270: trace = 6.680068177433323 (1.09476e-09% change) + iteration 267: trace = 6.680068177763815 (3.85991e-09% change) + linmin: converged after 5 iterations. + iteration 268: trace = 6.680068177602221 (2.41904e-09% change) + linmin: converged after 9 iterations. + iteration 269: trace = 6.680068177493695 (1.62463e-09% change) + linmin: converged after 7 iterations. + iteration 270: trace = 6.680068177432303 (9.19029e-10% change) + linmin: converged after 15 iterations. + iteration 271: trace = 6.680068177338072 (1.41063e-09% change) linmin: converged after 4 iterations. - iteration 271: trace = 6.680068177338332 (1.422e-09% change) - linmin: converged after 16 iterations. - iteration 272: trace = 6.680068177279097 (8.86747e-10% change) - linmin: converged after 3 iterations. - iteration 273: trace = 6.680068177249511 (4.42888e-10% change) + iteration 272: trace = 6.680068177272095 (9.87663e-10% change) linmin: converged after 4 iterations. - iteration 274: trace = 6.680068177203202 (6.93251e-10% change) + iteration 273: trace = 6.680068177245388 (3.99796e-10% change) linmin: converged after 15 iterations. - iteration 275: trace = 6.680068177160675 (6.36623e-10% change) - linmin: converged after 5 iterations. - iteration 276: trace = 6.680068177145829 (2.22242e-10% change) + iteration 274: trace = 6.680068177203003 (6.34509e-10% change) + linmin: converged after 15 iterations. + iteration 275: trace = 6.680068177157596 (6.79742e-10% change) + linmin: converged after 4 iterations. + iteration 276: trace = 6.680068177145132 (1.86582e-10% change) + large trace change predicted (3.75195e-10%) + linmin: converged after 4 iterations. + iteration 277: trace = 6.680068177120065 (3.75252e-10% change) linmin: converged after 6 iterations. - iteration 277: trace = 6.680068177120615 (3.77445e-10% change) - linmin: converged after 2 iterations. - iteration 278: trace = 6.680068177111693 (1.33571e-10% change) - linmin: converged after 13 iterations. - iteration 279: trace = 6.680068177098545 (1.9682e-10% change) + iteration 278: trace = 6.680068177107303 (1.91036e-10% change) + linmin: converged after 9 iterations. + iteration 279: trace = 6.680068177097761 (1.42852e-10% change) resetting CG direction... - linmin: converged after 4 iterations. - iteration 280: trace = 6.680068177092141 (9.58638e-11% change) + linmin: converged after 9 iterations. + iteration 280: trace = 6.680068177092473 (7.91641e-11% change) Finished solving for bands 1 to 8 after 280 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.307852, 0.505558, 0.80155, 0.837884, 0.938877, 1.07767, 1.16248, 1.26133 -elapsed time for k point: 4.43816351890564 +elapsed time for k point: 15.795309066772461 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 6.654587473689109 (0.0686629% change) + iteration 1: trace = 6.654587455311328 (0.0686633% change) linmin: converged after 4 iterations. - iteration 2: trace = 6.650159753500438 (0.0665585% change) + iteration 2: trace = 6.650159760210607 (0.0665581% change) linmin: converged after 4 iterations. - iteration 3: trace = 6.648179168070059 (0.029787% change) + iteration 3: trace = 6.648179164838401 (0.0297871% change) linmin: converged after 4 iterations. - iteration 4: trace = 6.647534184460929 (0.00970213% change) + iteration 4: trace = 6.64753416259331 (0.00970241% change) linmin: converged after 3 iterations. - iteration 5: trace = 6.646966615404791 (0.0085384% change) + iteration 5: trace = 6.6469666136075 (0.0085381% change) linmin: converged after 4 iterations. - iteration 6: trace = 6.645994017622721 (0.0146333% change) - linmin: converged after 5 iterations. - iteration 7: trace = 6.645304729701829 (0.010372% change) + iteration 6: trace = 6.645994018177636 (0.0146332% change) linmin: converged after 3 iterations. - iteration 8: trace = 6.644933056210284 (0.00559318% change) + iteration 7: trace = 6.64530472666308 (0.0103721% change) linmin: converged after 3 iterations. - iteration 9: trace = 6.644423335852698 (0.00767111% change) + iteration 8: trace = 6.644933052356651 (0.00559319% change) linmin: converged after 3 iterations. - iteration 10: trace = 6.644201156406162 (0.0033439% change) + iteration 9: trace = 6.644423335856935 (0.00767105% change) linmin: converged after 3 iterations. - iteration 11: trace = 6.643990279910868 (0.00317389% change) + iteration 10: trace = 6.64420115647265 (0.0033439% change) + linmin: converged after 3 iterations. + iteration 11: trace = 6.643990275840968 (0.00317396% change) linmin: converged after 4 iterations. - iteration 12: trace = 6.643843516962854 (0.00220898% change) - linmin: converged after 5 iterations. - iteration 13: trace = 6.64356475664805 (0.00419586% change) + iteration 12: trace = 6.643843510252407 (0.00220902% change) + linmin: converged after 3 iterations. + iteration 13: trace = 6.643564751930795 (0.00419583% change) linmin: converged after 4 iterations. - iteration 14: trace = 6.643279223213847 (0.00429799% change) + iteration 14: trace = 6.64327911203505 (0.00429959% change) linmin: converged after 3 iterations. - iteration 15: trace = 6.64307162450148 (0.00312499% change) + iteration 15: trace = 6.64307162272011 (0.00312335% change) linmin: converged after 4 iterations. - iteration 16: trace = 6.64297479951876 (0.00145754% change) + iteration 16: trace = 6.642974799946697 (0.00145751% change) linmin: converged after 4 iterations. - iteration 17: trace = 6.642909148385201 (0.000988284% change) - linmin: converged after 3 iterations. - iteration 18: trace = 6.642890172549851 (0.000285656% change) + iteration 17: trace = 6.642909147828732 (0.000988299% change) linmin: converged after 3 iterations. - iteration 19: trace = 6.642868866693247 (0.000320732% change) + iteration 18: trace = 6.642890167027224 (0.000285731% change) + linmin: converged after 5 iterations. + iteration 19: trace = 6.642868866277831 (0.000320655% change) linmin: converged after 3 iterations. - iteration 20: trace = 6.642841257630105 (0.00041562% change) - linmin: converged after 7 iterations. - iteration 21: trace = 6.642822878207463 (0.000276681% change) + iteration 20: trace = 6.642841255990717 (0.000415639% change) + linmin: converged after 4 iterations. + iteration 21: trace = 6.642822870559128 (0.000276771% change) linmin: converged after 3 iterations. - iteration 22: trace = 6.642805066181122 (0.00026814% change) + iteration 22: trace = 6.642805065880108 (0.000268029% change) linmin: converged after 3 iterations. - iteration 23: trace = 6.642791440748623 (0.000205116% change) + iteration 23: trace = 6.64279144083442 (0.00020511% change) linmin: converged after 3 iterations. - iteration 24: trace = 6.642785630165085 (8.74721e-05% change) + iteration 24: trace = 6.642785631391333 (8.74549e-05% change) linmin: converged after 3 iterations. - iteration 25: trace = 6.642782971944859 (4.00167e-05% change) + iteration 25: trace = 6.642782971983666 (4.00345e-05% change) linmin: converged after 4 iterations. - iteration 26: trace = 6.642780010487694 (4.45816e-05% change) - linmin: converged after 3 iterations. - iteration 27: trace = 6.642778215782385 (2.70174e-05% change) + iteration 26: trace = 6.642780010618989 (4.45802e-05% change) linmin: converged after 3 iterations. - iteration 28: trace = 6.642777033708898 (1.77949e-05% change) - large trace change predicted (3.72446e-05%) - linmin: converged after 5 iterations. - iteration 29: trace = 6.642774560627688 (3.72296e-05% change) - linmin: converged after 3 iterations. - iteration 30: trace = 6.642773633112364 (1.39628e-05% change) + iteration 27: trace = 6.64277821577196 (2.70195e-05% change) linmin: converged after 3 iterations. - iteration 31: trace = 6.642772722801835 (1.37038e-05% change) + iteration 28: trace = 6.642777033771829 (1.77938e-05% change) + large trace change predicted (3.72453e-05%) linmin: converged after 4 iterations. - iteration 32: trace = 6.642771828223156 (1.34669e-05% change) + iteration 29: trace = 6.642774560640914 (3.72304e-05% change) linmin: converged after 3 iterations. - iteration 33: trace = 6.642770875717687 (1.4339e-05% change) + iteration 30: trace = 6.642773633138377 (1.39626e-05% change) linmin: converged after 3 iterations. - iteration 34: trace = 6.642770553609214 (4.84901e-06% change) + iteration 31: trace = 6.642772722826313 (1.37038e-05% change) + linmin: converged after 4 iterations. + iteration 32: trace = 6.642771828262404 (1.34667e-05% change) + linmin: converged after 4 iterations. + iteration 33: trace = 6.64277087576031 (1.43389e-05% change) linmin: converged after 5 iterations. - iteration 35: trace = 6.642770128424434 (6.40071e-06% change) + iteration 34: trace = 6.642770553794994 (4.84685e-06% change) linmin: converged after 3 iterations. - iteration 36: trace = 6.642769885743741 (3.65331e-06% change) - linmin: converged after 5 iterations. - iteration 37: trace = 6.642769776756667 (1.64069e-06% change) + iteration 35: trace = 6.642770128430119 (6.40343e-06% change) linmin: converged after 3 iterations. - iteration 38: trace = 6.642769636192451 (2.11605e-06% change) - linmin: converged after 2 iterations. - iteration 39: trace = 6.64276952985813 (1.60075e-06% change) + iteration 36: trace = 6.642769885778785 (3.65286e-06% change) + linmin: converged after 4 iterations. + iteration 37: trace = 6.642769776764544 (1.6411e-06% change) linmin: converged after 3 iterations. - iteration 40: trace = 6.64276948221908 (7.17156e-07% change) + iteration 38: trace = 6.642769636191611 (2.11618e-06% change) linmin: converged after 2 iterations. - iteration 41: trace = 6.642769417339405 (9.76696e-07% change) - linmin: converged after 3 iterations. - iteration 42: trace = 6.6427693807117 (5.51392e-07% change) + iteration 39: trace = 6.642769529879722 (1.60042e-06% change) + linmin: converged after 7 iterations. + iteration 40: trace = 6.64276948230084 (7.16251e-07% change) + linmin: converged after 2 iterations. + iteration 41: trace = 6.642769417347594 (9.77804e-07% change) linmin: converged after 3 iterations. - iteration 43: trace = 6.642769352213377 (4.29013e-07% change) + iteration 42: trace = 6.642769380718568 (5.51412e-07% change) + linmin: converged after 2 iterations. + iteration 43: trace = 6.642769352276503 (4.28166e-07% change) + linmin: converged after 8 iterations. + iteration 44: trace = 6.642769335009672 (2.59934e-07% change) linmin: converged after 4 iterations. - iteration 44: trace = 6.64276933500741 (2.59018e-07% change) + iteration 45: trace = 6.642769308412368 (4.00395e-07% change) + linmin: converged after 10 iterations. + iteration 46: trace = 6.642769295594344 (1.92962e-07% change) + linmin: converged after 10 iterations. + iteration 47: trace = 6.642769286031895 (1.43953e-07% change) linmin: converged after 4 iterations. - iteration 45: trace = 6.642769308410065 (4.00395e-07% change) + iteration 48: trace = 6.642769278113336 (1.19206e-07% change) linmin: converged after 4 iterations. - iteration 46: trace = 6.64276929558259 (1.93104e-07% change) - linmin: converged after 15 iterations. - iteration 47: trace = 6.642769286017307 (1.43995e-07% change) - linmin: converged after 3 iterations. - iteration 48: trace = 6.642769278110246 (1.19033e-07% change) + iteration 49: trace = 6.642769268636345 (1.42666e-07% change) + linmin: converged after 6 iterations. + iteration 50: trace = 6.642769264678964 (5.95743e-08% change) + linmin: converged after 2 iterations. + iteration 51: trace = 6.642769258347661 (9.53112e-08% change) linmin: converged after 4 iterations. - iteration 49: trace = 6.642769268633557 (1.42662e-07% change) + iteration 52: trace = 6.642769254860999 (5.24881e-08% change) linmin: converged after 4 iterations. - iteration 50: trace = 6.642769264678993 (5.95319e-08% change) + iteration 53: trace = 6.642769253450789 (2.12293e-08% change) + linmin: converged after 6 iterations. + iteration 54: trace = 6.642769251332606 (3.1887e-08% change) + linmin: converged after 8 iterations. + iteration 55: trace = 6.642769250050419 (1.9302e-08% change) + linmin: converged after 7 iterations. + iteration 56: trace = 6.6427692492726 (1.17093e-08% change) linmin: converged after 4 iterations. - iteration 51: trace = 6.642769258340143 (9.54248e-08% change) + iteration 57: trace = 6.642769248105801 (1.7565e-08% change) + linmin: converged after 32 iterations. + iteration 58: trace = 6.642769246923345 (1.78006e-08% change) + linmin: converged after 2 iterations. + iteration 59: trace = 6.642769246437547 (7.31319e-09% change) linmin: converged after 4 iterations. - iteration 52: trace = 6.642769254869387 (5.22486e-08% change) - linmin: converged after 3 iterations. - iteration 53: trace = 6.642769253457879 (2.12488e-08% change) + iteration 60: trace = 6.642769246055699 (5.74833e-09% change) + linmin: converged after 19 iterations. + iteration 61: trace = 6.642769245798688 (3.86904e-09% change) + linmin: converged after 26 iterations. + iteration 62: trace = 6.642769245596893 (3.03781e-09% change) linmin: converged after 4 iterations. - iteration 54: trace = 6.642769251332982 (3.19881e-08% change) + iteration 63: trace = 6.642769245361455 (3.54427e-09% change) linmin: converged after 5 iterations. - iteration 55: trace = 6.642769250070252 (1.90091e-08% change) - linmin: converged after 4 iterations. - iteration 56: trace = 6.642769249311944 (1.14155e-08% change) - linmin: converged after 4 iterations. - iteration 57: trace = 6.642769248104532 (1.81763e-08% change) - linmin: converged after 4 iterations. - iteration 58: trace = 6.642769246932681 (1.7641e-08% change) + iteration 64: trace = 6.642769245059515 (4.54539e-09% change) linmin: converged after 24 iterations. - iteration 59: trace = 6.642769246510039 (6.36244e-09% change) - linmin: converged after 7 iterations. - iteration 60: trace = 6.642769246056337 (6.83e-09% change) - linmin: converged after 8 iterations. - iteration 61: trace = 6.642769245799185 (3.87116e-09% change) + iteration 65: trace = 6.64276924497741 (1.23601e-09% change) + linmin: converged after 14 iterations. + iteration 66: trace = 6.642769244866003 (1.67713e-09% change) linmin: converged after 5 iterations. - iteration 62: trace = 6.642769245599225 (3.01019e-09% change) - linmin: converged after 6 iterations. - iteration 63: trace = 6.642769245362293 (3.56677e-09% change) - linmin: converged after 4 iterations. - iteration 64: trace = 6.642769245060769 (4.53912e-09% change) - linmin: converged after 4 iterations. - iteration 65: trace = 6.64276924497992 (1.2171e-09% change) - linmin: converged after 3 iterations. - iteration 66: trace = 6.642769244865909 (1.71632e-09% change) - linmin: converged after 3 iterations. - iteration 67: trace = 6.642769244785438 (1.21142e-09% change) - linmin: converged after 2 iterations. - iteration 68: trace = 6.642769244741226 (6.65562e-10% change) - linmin: converged after 16 iterations. - iteration 69: trace = 6.64276924469701 (6.65629e-10% change) + iteration 67: trace = 6.642769244785121 (1.21759e-09% change) + linmin: converged after 8 iterations. + iteration 68: trace = 6.642769244740458 (6.72354e-10% change) + linmin: converged after 14 iterations. + iteration 69: trace = 6.642769244697033 (6.53716e-10% change) resetting CG direction... - linmin: converged after 2 iterations. - iteration 70: trace = 6.642769244673424 (3.55056e-10% change) - linmin: converged after 16 iterations. - iteration 71: trace = 6.642769244658249 (2.2845e-10% change) + linmin: converged after 11 iterations. + iteration 70: trace = 6.64276924467363 (3.52302e-10% change) + linmin: converged after 15 iterations. + iteration 71: trace = 6.642769244658356 (2.29934e-10% change) linmin: converged after 6 iterations. - iteration 72: trace = 6.642769244637283 (3.15613e-10% change) - linmin: converged after 9 iterations. - iteration 73: trace = 6.642769244619499 (2.6772e-10% change) + iteration 72: trace = 6.64276924463728 (3.17284e-10% change) + linmin: converged after 11 iterations. + iteration 73: trace = 6.642769244619855 (2.62318e-10% change) linmin: converged after 4 iterations. - iteration 74: trace = 6.642769244609692 (1.47638e-10% change) + iteration 74: trace = 6.64276924460999 (1.48507e-10% change) + linmin: converged after 9 iterations. + iteration 75: trace = 6.642769244598637 (1.70903e-10% change) linmin: converged after 4 iterations. - iteration 75: trace = 6.642769244598619 (1.66691e-10% change) + iteration 76: trace = 6.64276924458175 (2.54215e-10% change) linmin: converged after 3 iterations. - iteration 76: trace = 6.642769244581716 (2.54456e-10% change) - linmin: converged after 17 iterations. - iteration 77: trace = 6.642769244576439 (7.94481e-11% change) + iteration 77: trace = 6.642769244576464 (7.95685e-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: 1.2016732692718506 +elapsed time for k point: 3.6019809246063232 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 6.687429231640419 (0.117813% change) + iteration 1: trace = 6.687429231511185 (0.117813% change) linmin: converged after 3 iterations. - iteration 2: trace = 6.682646867031265 (0.0715383% change) + iteration 2: trace = 6.682646875626627 (0.0715382% change) linmin: converged after 4 iterations. - iteration 3: trace = 6.679627759806239 (0.0451885% change) - linmin: converged after 5 iterations. - iteration 4: trace = 6.674424626067543 (0.0779259% change) + iteration 3: trace = 6.679627759254707 (0.0451887% change) linmin: converged after 4 iterations. - iteration 5: trace = 6.670593887939423 (0.0574108% change) + iteration 4: trace = 6.674424623045876 (0.077926% change) + linmin: converged after 4 iterations. + iteration 5: trace = 6.670593818216934 (0.0574118% change) linmin: converged after 3 iterations. - iteration 6: trace = 6.669532519250804 (0.0159124% change) + iteration 6: trace = 6.669532380670411 (0.0159135% change) linmin: converged after 4 iterations. - iteration 7: trace = 6.668698910283753 (0.0124995% change) + iteration 7: trace = 6.668698883194505 (0.0124979% change) linmin: converged after 4 iterations. - iteration 8: trace = 6.667450154203845 (0.0187274% change) + iteration 8: trace = 6.667450150690025 (0.018727% change) linmin: converged after 4 iterations. - iteration 9: trace = 6.666854298069175 (0.00893719% change) - linmin: converged after 3 iterations. - iteration 10: trace = 6.666561044023348 (0.00439878% change) - large trace change predicted (0.0103227%) + iteration 9: trace = 6.66685421691059 (0.00893836% change) linmin: converged after 3 iterations. - iteration 11: trace = 6.665873849220906 (0.0103086% change) + iteration 10: trace = 6.666561020957688 (0.00439791% change) + large trace change predicted (0.0103226%) + linmin: converged after 4 iterations. + iteration 11: trace = 6.665873832486198 (0.0103085% change) linmin: converged after 3 iterations. - iteration 12: trace = 6.665343892343184 (0.00795061% change) + iteration 12: trace = 6.66534367843415 (0.00795357% change) + linmin: converged after 5 iterations. + iteration 13: trace = 6.664960567151565 (0.00574798% change) linmin: converged after 4 iterations. - iteration 13: trace = 6.664960722616507 (0.00574885% change) + iteration 14: trace = 6.66447182671495 (0.00733325% change) linmin: converged after 4 iterations. - iteration 14: trace = 6.664471827485924 (0.00733557% change) - linmin: converged after 5 iterations. - iteration 15: trace = 6.664343409130835 (0.00192693% change) + iteration 15: trace = 6.66434339982356 (0.00192706% change) linmin: converged after 3 iterations. - iteration 16: trace = 6.664235402926991 (0.00162067% change) + iteration 16: trace = 6.66423537972366 (0.00162088% change) linmin: converged after 3 iterations. - iteration 17: trace = 6.664099943254497 (0.00203266% change) + iteration 17: trace = 6.664099941917526 (0.00203233% change) linmin: converged after 3 iterations. - iteration 18: trace = 6.663928209547941 (0.00257703% change) + iteration 18: trace = 6.663928212821615 (0.00257696% change) linmin: converged after 3 iterations. - iteration 19: trace = 6.663861687818067 (0.000998241% change) + iteration 19: trace = 6.663861709370718 (0.000997967% change) linmin: converged after 4 iterations. - iteration 20: trace = 6.663812771949349 (0.00073405% change) + iteration 20: trace = 6.663812777113738 (0.000734295% change) linmin: converged after 3 iterations. - iteration 21: trace = 6.663735502864748 (0.00115954% change) - linmin: converged after 5 iterations. - iteration 22: trace = 6.66367466614615 (0.000912956% change) + iteration 21: trace = 6.663735503528859 (0.00115961% change) linmin: converged after 3 iterations. - iteration 23: trace = 6.663634526974308 (0.00060236% change) - linmin: converged after 7 iterations. - iteration 24: trace = 6.663593038759096 (0.000622608% change) + iteration 22: trace = 6.663674701397493 (0.000912437% change) linmin: converged after 3 iterations. - iteration 25: trace = 6.663573597875551 (0.000291748% change) - linmin: converged after 5 iterations. - iteration 26: trace = 6.663564028497367 (0.000143607% change) - linmin: converged after 9 iterations. - iteration 27: trace = 6.66354904793401 (0.000224813% change) + iteration 23: trace = 6.663634535229166 (0.000602765% change) + linmin: converged after 6 iterations. + iteration 24: trace = 6.663593038411381 (0.000622737% change) linmin: converged after 3 iterations. - iteration 28: trace = 6.663543235825781 (8.72225e-05% change) + iteration 25: trace = 6.663573597485097 (0.000291749% change) linmin: converged after 3 iterations. - iteration 29: trace = 6.66353963112206 (5.40959e-05% change) - linmin: converged after 5 iterations. - iteration 30: trace = 6.663536020928598 (5.41783e-05% change) - large trace change predicted (0.000126931%) + iteration 26: trace = 6.663564028806269 (0.000143597% change) linmin: converged after 3 iterations. - iteration 31: trace = 6.663527560499054 (0.000126966% change) + iteration 27: trace = 6.663549047974307 (0.000224817% change) linmin: converged after 4 iterations. - iteration 32: trace = 6.663522796309925 (7.14965e-05% change) + iteration 28: trace = 6.663543234598157 (8.72415e-05% change) linmin: converged after 3 iterations. - iteration 33: trace = 6.663519837202252 (4.44076e-05% change) + iteration 29: trace = 6.663539629620816 (5.41e-05% change) linmin: converged after 3 iterations. - iteration 34: trace = 6.663516772772216 (4.59882e-05% change) + iteration 30: trace = 6.663536020747423 (5.41585e-05% change) + large trace change predicted (0.000126928%) linmin: converged after 4 iterations. - iteration 35: trace = 6.663513850280391 (4.38581e-05% change) - linmin: converged after 3 iterations. - iteration 36: trace = 6.663512817819473 (1.54942e-05% change) - large trace change predicted (3.44727e-05%) - linmin: converged after 5 iterations. - iteration 37: trace = 6.66351052050736 (3.4476e-05% change) + iteration 31: trace = 6.663527560554203 (0.000126963% change) + linmin: converged after 12 iterations. + iteration 32: trace = 6.663522796841909 (7.14894e-05% change) linmin: converged after 3 iterations. - iteration 38: trace = 6.663509473943975 (1.57059e-05% change) - linmin: converged after 2 iterations. - iteration 39: trace = 6.663509059441019 (6.22049e-06% change) - large trace change predicted (1.53072e-05%) + iteration 33: trace = 6.663519837331688 (4.44136e-05% change) + linmin: converged after 4 iterations. + iteration 34: trace = 6.663516772751093 (4.59904e-05% change) + linmin: converged after 17 iterations. + iteration 35: trace = 6.663513849617122 (4.38677e-05% change) linmin: converged after 4 iterations. - iteration 40: trace = 6.663508039374552 (1.53082e-05% change) + iteration 36: trace = 6.663512817242067 (1.5493e-05% change) + large trace change predicted (3.44646e-05%) linmin: converged after 4 iterations. - iteration 41: trace = 6.663507363208089 (1.01473e-05% change) + iteration 37: trace = 6.663510520469217 (3.44679e-05% change) linmin: converged after 3 iterations. - iteration 42: trace = 6.663506896333666 (7.00644e-06% change) + iteration 38: trace = 6.663509473661299 (1.57096e-05% change) linmin: converged after 3 iterations. - iteration 43: trace = 6.663506558684439 (5.06714e-06% change) + iteration 39: trace = 6.663509059368947 (6.21733e-06% change) + large trace change predicted (1.53076e-05%) linmin: converged after 3 iterations. - iteration 44: trace = 6.663506414193118 (2.1684e-06% change) + iteration 40: trace = 6.663508039277591 (1.53086e-05% change) + linmin: converged after 8 iterations. + iteration 41: trace = 6.663507363532601 (1.0141e-05% change) linmin: converged after 3 iterations. - iteration 45: trace = 6.663506331223576 (1.24513e-06% change) + iteration 42: trace = 6.663506896337038 (7.01126e-06% change) linmin: converged after 4 iterations. - iteration 46: trace = 6.663506214966994 (1.74468e-06% change) - linmin: converged after 3 iterations. - iteration 47: trace = 6.663506039883719 (2.62749e-06% change) + iteration 43: trace = 6.663506558669988 (5.06741e-06% change) + linmin: converged after 8 iterations. + iteration 44: trace = 6.663506414338931 (2.16599e-06% change) + linmin: converged after 10 iterations. + iteration 45: trace = 6.663506331335545 (1.24564e-06% change) linmin: converged after 3 iterations. - iteration 48: trace = 6.663505983850816 (8.40892e-07% change) + iteration 46: trace = 6.663506214951667 (1.74659e-06% change) linmin: converged after 3 iterations. - iteration 49: trace = 6.663505907541484 (1.14518e-06% change) - linmin: converged after 5 iterations. - iteration 50: trace = 6.663505851042529 (8.47886e-07% change) + iteration 47: trace = 6.663506039919197 (2.62673e-06% change) linmin: converged after 6 iterations. - iteration 51: trace = 6.663505805259885 (6.87065e-07% change) - linmin: converged after 13 iterations. - iteration 52: trace = 6.663505790502363 (2.21468e-07% change) - linmin: converged after 25 iterations. - iteration 53: trace = 6.663505766535184 (3.59678e-07% change) + iteration 48: trace = 6.663505983939295 (8.40097e-07% change) linmin: converged after 4 iterations. - iteration 54: trace = 6.663505741504925 (3.75632e-07% change) - linmin: converged after 22 iterations. - iteration 55: trace = 6.663505723706266 (2.67107e-07% change) + iteration 49: trace = 6.663505907522652 (1.14679e-06% change) + linmin: converged after 5 iterations. + iteration 50: trace = 6.663505851032006 (8.47762e-07% change) + linmin: converged after 4 iterations. + iteration 51: trace = 6.663505805256612 (6.86957e-07% change) + linmin: converged after 5 iterations. + iteration 52: trace = 6.663505790501416 (2.21433e-07% change) linmin: converged after 3 iterations. - iteration 56: trace = 6.663505707385099 (2.44934e-07% change) + iteration 53: trace = 6.663505766531589 (3.59718e-07% change) + linmin: converged after 4 iterations. + iteration 54: trace = 6.663505741478836 (3.7597e-07% change) linmin: converged after 3 iterations. - iteration 57: trace = 6.663505697273749 (1.51742e-07% change) + iteration 55: trace = 6.663505723652033 (2.67529e-07% change) + linmin: converged after 7 iterations. + iteration 56: trace = 6.663505707379739 (2.442e-07% change) + linmin: converged after 7 iterations. + iteration 57: trace = 6.663505697265364 (1.51788e-07% change) + linmin: converged after 10 iterations. + iteration 58: trace = 6.663505694684291 (3.87345e-08% change) + linmin: converged after 4 iterations. + iteration 59: trace = 6.663505691927321 (4.13742e-08% change) + linmin: converged after 4 iterations. + iteration 60: trace = 6.663505688934743 (4.491e-08% change) + linmin: converged after 18 iterations. + iteration 61: trace = 6.663505686200639 (4.1031e-08% change) linmin: converged after 5 iterations. - iteration 58: trace = 6.663505694691338 (3.87545e-08% change) + iteration 62: trace = 6.663505684949753 (1.87722e-08% change) linmin: converged after 4 iterations. - iteration 59: trace = 6.663505691929068 (4.14537e-08% change) - linmin: converged after 7 iterations. - iteration 60: trace = 6.663505688934807 (4.49352e-08% change) + iteration 63: trace = 6.663505683327255 (2.4349e-08% change) linmin: converged after 4 iterations. - iteration 61: trace = 6.663505686194938 (4.11175e-08% change) - linmin: converged after 3 iterations. - iteration 62: trace = 6.663505684948923 (1.86991e-08% change) + iteration 64: trace = 6.663505682009577 (1.97745e-08% change) linmin: converged after 4 iterations. - iteration 63: trace = 6.663505683328056 (2.43245e-08% change) - linmin: converged after 13 iterations. - iteration 64: trace = 6.663505682008949 (1.9796e-08% change) - linmin: converged after 11 iterations. - iteration 65: trace = 6.663505681304827 (1.05668e-08% change) - linmin: converged after 6 iterations. - iteration 66: trace = 6.663505680001291 (1.95623e-08% change) + iteration 65: trace = 6.663505681307788 (1.05318e-08% change) + linmin: converged after 34 iterations. + iteration 66: trace = 6.663505680001043 (1.96105e-08% change) linmin: converged after 4 iterations. - iteration 67: trace = 6.663505679184945 (1.2251e-08% change) - linmin: converged after 23 iterations. - iteration 68: trace = 6.66350567874791 (6.55864e-09% change) - linmin: converged after 7 iterations. - iteration 69: trace = 6.663505678470032 (4.17015e-09% change) + iteration 67: trace = 6.663505679184849 (1.22487e-08% change) + linmin: converged after 12 iterations. + iteration 68: trace = 6.663505678748463 (6.5489e-09% change) + linmin: converged after 6 iterations. + iteration 69: trace = 6.663505678470028 (4.17851e-09% change) resetting CG direction... + linmin: converged after 7 iterations. + iteration 70: trace = 6.663505678326044 (2.16079e-09% change) + linmin: converged after 5 iterations. + iteration 71: trace = 6.663505678226778 (1.4897e-09% change) + linmin: converged after 2 iterations. + iteration 72: trace = 6.663505678093959 (1.99322e-09% change) linmin: converged after 2 iterations. - iteration 70: trace = 6.663505678326204 (2.15844e-09% change) + iteration 73: trace = 6.663505677966054 (1.9195e-09% change) + linmin: converged after 9 iterations. + iteration 74: trace = 6.663505677909059 (8.55322e-10% change) linmin: converged after 4 iterations. - iteration 71: trace = 6.663505678226792 (1.49189e-09% change) - linmin: converged after 13 iterations. - iteration 72: trace = 6.663505678093929 (1.99388e-09% change) + iteration 75: trace = 6.663505677805617 (1.55237e-09% change) linmin: converged after 5 iterations. - iteration 73: trace = 6.663505677966341 (1.91474e-09% change) - linmin: converged after 26 iterations. - iteration 74: trace = 6.6635056779092 (8.57521e-10% change) + iteration 76: trace = 6.66350567774159 (9.60861e-10% change) linmin: converged after 4 iterations. - iteration 75: trace = 6.663505677805585 (1.55496e-09% change) - linmin: converged after 6 iterations. - iteration 76: trace = 6.66350567774166 (9.59328e-10% change) - linmin: converged after 11 iterations. - iteration 77: trace = 6.663505677713226 (4.26714e-10% change) - linmin: converged after 12 iterations. - iteration 78: trace = 6.663505677677864 (5.30681e-10% change) + iteration 77: trace = 6.663505677713072 (4.27967e-10% change) + linmin: converged after 15 iterations. + iteration 78: trace = 6.663505677677868 (5.28308e-10% change) linmin: converged after 3 iterations. - iteration 79: trace = 6.663505677642716 (5.27468e-10% change) + iteration 79: trace = 6.66350567764272 (5.27482e-10% change) linmin: converged after 3 iterations. - iteration 80: trace = 6.663505677622147 (3.08686e-10% change) - linmin: converged after 8 iterations. - iteration 81: trace = 6.66350567759535 (4.02136e-10% change) + iteration 80: trace = 6.663505677622083 (3.09699e-10% change) + linmin: converged after 11 iterations. + iteration 81: trace = 6.663505677595312 (4.01749e-10% change) + linmin: converged after 5 iterations. + iteration 82: trace = 6.663505677568759 (3.98484e-10% change) linmin: converged after 3 iterations. - iteration 82: trace = 6.663505677568827 (3.98044e-10% change) - linmin: converged after 18 iterations. - iteration 83: trace = 6.663505677549109 (2.95904e-10% change) + iteration 83: trace = 6.663505677548605 (3.02462e-10% change) + linmin: converged after 4 iterations. + iteration 84: trace = 6.663505677537475 (1.67026e-10% change) + linmin: converged after 9 iterations. + iteration 85: trace = 6.663505677527899 (1.437e-10% change) + linmin: converged after 2 iterations. + iteration 86: trace = 6.663505677520185 (1.15776e-10% change) linmin: converged after 6 iterations. - iteration 84: trace = 6.663505677537502 (1.74183e-10% change) - linmin: converged after 15 iterations. - iteration 85: trace = 6.663505677527904 (1.44046e-10% change) - linmin: converged after 3 iterations. - iteration 86: trace = 6.663505677520201 (1.15602e-10% change) - linmin: converged after 3 iterations. - iteration 87: trace = 6.663505677515447 (7.13368e-11% change) + iteration 87: trace = 6.66350567751532 (7.30029e-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: 1.3574659824371338 +elapsed time for k point: 4.902051210403442 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 6.744447307474669 (0.144043% change) + iteration 1: trace = 6.744447319829122 (0.144043% change) linmin: converged after 4 iterations. - iteration 2: trace = 6.737973941565899 (0.0960268% change) + iteration 2: trace = 6.737973961372528 (0.0960266% change) linmin: converged after 4 iterations. - iteration 3: trace = 6.7321417456039 (0.0865946% change) + iteration 3: trace = 6.732141747682221 (0.0865949% change) linmin: converged after 8 iterations. - iteration 4: trace = 6.724828793447526 (0.108686% change) + iteration 4: trace = 6.724828796500679 (0.108686% change) linmin: converged after 4 iterations. - iteration 5: trace = 6.721434238463905 (0.0504907% change) + iteration 5: trace = 6.721434241355379 (0.0504907% change) linmin: converged after 4 iterations. - iteration 6: trace = 6.718962204375529 (0.0367851% change) + iteration 6: trace = 6.718962205415226 (0.0367852% change) linmin: converged after 4 iterations. - iteration 7: trace = 6.71754313371084 (0.0211226% change) - linmin: converged after 3 iterations. - iteration 8: trace = 6.716463676546428 (0.0160705% change) + iteration 7: trace = 6.717543134764343 (0.0211226% change) + linmin: converged after 4 iterations. + iteration 8: trace = 6.716463675707937 (0.0160705% change) linmin: converged after 3 iterations. - iteration 9: trace = 6.715767540221497 (0.0103652% change) + iteration 9: trace = 6.715767540648555 (0.0103651% change) linmin: converged after 4 iterations. - iteration 10: trace = 6.714605751396071 (0.0173009% change) + iteration 10: trace = 6.714605751548929 (0.0173009% change) linmin: converged after 4 iterations. - iteration 11: trace = 6.713521993031621 (0.0161416% change) - linmin: converged after 3 iterations. - iteration 12: trace = 6.712581835798039 (0.0140049% change) + iteration 11: trace = 6.713521985435469 (0.0161417% change) linmin: converged after 3 iterations. - iteration 13: trace = 6.711589814736715 (0.0147796% change) + iteration 12: trace = 6.712581835313906 (0.0140048% change) linmin: converged after 3 iterations. - iteration 14: trace = 6.710907669805348 (0.0101642% change) + iteration 13: trace = 6.71158981476003 (0.0147796% change) linmin: converged after 3 iterations. - iteration 15: trace = 6.710743952061529 (0.00243961% change) + iteration 14: trace = 6.710907669864163 (0.0101642% change) linmin: converged after 3 iterations. - iteration 16: trace = 6.710422647110722 (0.00478803% change) + iteration 15: trace = 6.710743952111041 (0.00243961% change) linmin: converged after 3 iterations. - iteration 17: trace = 6.710149736315026 (0.00406705% change) + iteration 16: trace = 6.710422647231451 (0.00478803% change) linmin: converged after 3 iterations. - iteration 18: trace = 6.709926499306195 (0.00332691% change) + iteration 17: trace = 6.710149736269088 (0.00406705% change) linmin: converged after 3 iterations. - iteration 19: trace = 6.70961522287071 (0.00463915% change) + iteration 18: trace = 6.709926499244011 (0.00332691% change) linmin: converged after 3 iterations. - iteration 20: trace = 6.709383090015506 (0.00345976% change) + iteration 19: trace = 6.709615222871843 (0.00463915% change) linmin: converged after 3 iterations. - iteration 21: trace = 6.709272386637894 (0.00164999% change) + iteration 20: trace = 6.709383090117643 (0.00345976% change) linmin: converged after 4 iterations. - iteration 22: trace = 6.709164433611233 (0.00160903% change) + iteration 21: trace = 6.709272387074732 (0.00164999% change) linmin: converged after 3 iterations. - iteration 23: trace = 6.709082283800279 (0.00122445% change) + iteration 22: trace = 6.709164433556145 (0.00160903% change) linmin: converged after 3 iterations. - iteration 24: trace = 6.709040657597047 (0.000620447% change) - linmin: converged after 6 iterations. - iteration 25: trace = 6.709012986509509 (0.000412446% change) + iteration 23: trace = 6.709082283752179 (0.00122445% change) + linmin: converged after 3 iterations. + iteration 24: trace = 6.709040657449078 (0.000620449% change) linmin: converged after 4 iterations. - iteration 26: trace = 6.708973601273001 (0.000587051% change) + iteration 25: trace = 6.709012986499432 (0.000412444% change) + linmin: converged after 4 iterations. + iteration 26: trace = 6.708973601301382 (0.000587051% change) linmin: converged after 3 iterations. - iteration 27: trace = 6.708949150197562 (0.000364454% change) + iteration 27: trace = 6.708949150379244 (0.000364452% change) linmin: converged after 3 iterations. - iteration 28: trace = 6.708939654361957 (0.00014154% change) + iteration 28: trace = 6.708939654510758 (0.00014154% change) linmin: converged after 3 iterations. - iteration 29: trace = 6.708921851625929 (0.000265359% change) + iteration 29: trace = 6.708921851624748 (0.000265361% change) linmin: converged after 3 iterations. - iteration 30: trace = 6.708911468656734 (0.000154764% change) - linmin: converged after 4 iterations. - iteration 31: trace = 6.708903821429137 (0.000113986% change) - linmin: converged after 4 iterations. - iteration 32: trace = 6.708893718396827 (0.000150592% change) + iteration 30: trace = 6.708911468699708 (0.000154763% change) + linmin: converged after 5 iterations. + iteration 31: trace = 6.708903821442493 (0.000113987% change) + linmin: converged after 5 iterations. + iteration 32: trace = 6.708893718400836 (0.000150592% change) linmin: converged after 3 iterations. - iteration 33: trace = 6.708883944390179 (0.000145687% change) + iteration 33: trace = 6.708883944464088 (0.000145686% change) linmin: converged after 3 iterations. - iteration 34: trace = 6.708879439394104 (6.71497e-05% change) - linmin: converged after 4 iterations. - iteration 35: trace = 6.708871489175596 (0.000118503% change) - linmin: converged after 5 iterations. - iteration 36: trace = 6.708866031173947 (8.1355e-05% change) + iteration 34: trace = 6.708879439481632 (6.71495e-05% change) linmin: converged after 3 iterations. - iteration 37: trace = 6.708863196863298 (4.22472e-05% change) - linmin: converged after 5 iterations. - iteration 38: trace = 6.708860828992563 (3.52947e-05% change) - linmin: converged after 4 iterations. - iteration 39: trace = 6.708858447879621 (3.54921e-05% change) + iteration 35: trace = 6.708871489178604 (0.000118504% change) + linmin: converged after 3 iterations. + iteration 36: trace = 6.708866031173699 (8.13551e-05% change) linmin: converged after 3 iterations. - iteration 40: trace = 6.708856997908971 (2.16128e-05% change) + iteration 37: trace = 6.708863196868343 (4.22472e-05% change) linmin: converged after 3 iterations. - iteration 41: trace = 6.708854902056788 (3.12401e-05% change) + iteration 38: trace = 6.708860828992465 (3.52947e-05% change) + linmin: converged after 3 iterations. + iteration 39: trace = 6.708858447883698 (3.5492e-05% change) linmin: converged after 4 iterations. - iteration 42: trace = 6.708852610114659 (3.41629e-05% change) + iteration 40: trace = 6.708856997940599 (2.16124e-05% change) linmin: converged after 4 iterations. - iteration 43: trace = 6.708851929347248 (1.01473e-05% change) + iteration 41: trace = 6.708854902056196 (3.12406e-05% change) linmin: converged after 3 iterations. - iteration 44: trace = 6.70885123765442 (1.03102e-05% change) + iteration 42: trace = 6.708852610091869 (3.41633e-05% change) linmin: converged after 3 iterations. - iteration 45: trace = 6.708850275606772 (1.434e-05% change) + iteration 43: trace = 6.708851929347837 (1.0147e-05% change) linmin: converged after 3 iterations. - iteration 46: trace = 6.708849646092554 (9.38334e-06% change) + iteration 44: trace = 6.708851237630113 (1.03105e-05% change) linmin: converged after 3 iterations. - iteration 47: trace = 6.708848882344398 (1.13842e-05% change) - linmin: converged after 4 iterations. - iteration 48: trace = 6.70884831289677 (8.48801e-06% change) - linmin: converged after 4 iterations. - iteration 49: trace = 6.708847878955357 (6.4682e-06% change) + iteration 45: trace = 6.708850275593168 (1.43398e-05% change) linmin: converged after 3 iterations. - iteration 50: trace = 6.708847658426974 (3.28713e-06% change) - large trace change predicted (7.009e-06%) + iteration 46: trace = 6.70884964610264 (9.38299e-06% change) linmin: converged after 3 iterations. - iteration 51: trace = 6.708847188186793 (7.00925e-06% change) - linmin: converged after 4 iterations. - iteration 52: trace = 6.708846832159407 (5.30683e-06% change) - linmin: converged after 5 iterations. - iteration 53: trace = 6.70884661927558 (3.17318e-06% change) + iteration 47: trace = 6.708848882323291 (1.13847e-05% change) linmin: converged after 3 iterations. - iteration 54: trace = 6.708846387828648 (3.44988e-06% change) + iteration 48: trace = 6.70884831288727 (8.48784e-06% change) linmin: converged after 3 iterations. - iteration 55: trace = 6.708846177691116 (3.13225e-06% change) - linmin: converged after 2 iterations. - iteration 56: trace = 6.708846099872972 (1.15993e-06% change) + iteration 49: trace = 6.708847878958689 (6.468e-06% change) linmin: converged after 3 iterations. - iteration 57: trace = 6.708845988805979 (1.65553e-06% change) - linmin: converged after 18 iterations. - iteration 58: trace = 6.708845926158713 (9.33801e-07% change) - linmin: converged after 16 iterations. - iteration 59: trace = 6.708845871833847 (8.0975e-07% change) + iteration 50: trace = 6.708847658426824 (3.28718e-06% change) + large trace change predicted (7.00903e-06%) linmin: converged after 3 iterations. - iteration 60: trace = 6.708845822810293 (7.3073e-07% change) - linmin: converged after 4 iterations. - iteration 61: trace = 6.708845760354881 (9.30941e-07% change) + iteration 51: trace = 6.708847188184538 (7.00929e-06% change) + linmin: converged after 23 iterations. + iteration 52: trace = 6.708846832162545 (5.30675e-06% change) linmin: converged after 3 iterations. - iteration 62: trace = 6.70884574299585 (2.58748e-07% change) - linmin: converged after 2 iterations. - iteration 63: trace = 6.708845724911501 (2.6956e-07% change) - linmin: converged after 5 iterations. - iteration 64: trace = 6.708845702105487 (3.39939e-07% change) + iteration 53: trace = 6.708846619270131 (3.17331e-06% change) linmin: converged after 4 iterations. - iteration 65: trace = 6.708845680311983 (3.24847e-07% change) - linmin: converged after 12 iterations. - iteration 66: trace = 6.708845664242044 (2.39534e-07% change) + iteration 54: trace = 6.708846387818853 (3.44994e-06% change) + linmin: converged after 4 iterations. + iteration 55: trace = 6.70884617767422 (3.13235e-06% change) + linmin: converged after 3 iterations. + iteration 56: trace = 6.708846099858042 (1.1599e-06% change) linmin: converged after 4 iterations. - iteration 67: trace = 6.708845650776603 (2.00712e-07% change) + iteration 57: trace = 6.708845988806679 (1.6553e-06% change) + linmin: converged after 3 iterations. + iteration 58: trace = 6.708845926155432 (9.3386e-07% change) + linmin: converged after 8 iterations. + iteration 59: trace = 6.708845871821884 (8.09879e-07% change) + linmin: converged after 8 iterations. + iteration 60: trace = 6.708845822810831 (7.30544e-07% change) linmin: converged after 3 iterations. - iteration 68: trace = 6.708845645403581 (8.00886e-08% change) + iteration 61: trace = 6.708845760357077 (9.30917e-07% change) + linmin: converged after 2 iterations. + iteration 62: trace = 6.70884574300153 (2.58696e-07% change) + linmin: converged after 8 iterations. + iteration 63: trace = 6.708845724909551 (2.69673e-07% change) linmin: converged after 3 iterations. - iteration 69: trace = 6.708845642039955 (5.01372e-08% change) + iteration 64: trace = 6.708845702105521 (3.3991e-07% change) + linmin: converged after 2 iterations. + iteration 65: trace = 6.708845680309581 (3.24884e-07% change) + linmin: converged after 7 iterations. + iteration 66: trace = 6.708845664242869 (2.39485e-07% change) + linmin: converged after 4 iterations. + iteration 67: trace = 6.708845650776952 (2.00719e-07% change) + linmin: converged after 8 iterations. + iteration 68: trace = 6.708845645402574 (8.01088e-08% change) + linmin: converged after 15 iterations. + iteration 69: trace = 6.708845642039176 (5.01338e-08% change) resetting CG direction... linmin: converged after 4 iterations. - iteration 70: trace = 6.708845640022787 (3.00673e-08% change) - linmin: converged after 6 iterations. - iteration 71: trace = 6.708845637674559 (3.5002e-08% change) - linmin: converged after 24 iterations. - iteration 72: trace = 6.708845634534506 (4.68047e-08% change) - linmin: converged after 13 iterations. - iteration 73: trace = 6.708845632985962 (2.30821e-08% change) - linmin: converged after 23 iterations. - iteration 74: trace = 6.708845630876028 (3.145e-08% change) - linmin: converged after 6 iterations. - iteration 75: trace = 6.708845629670838 (1.79642e-08% change) - linmin: converged after 6 iterations. - iteration 76: trace = 6.708845628755188 (1.36484e-08% change) + iteration 70: trace = 6.708845640022382 (3.00617e-08% change) linmin: converged after 4 iterations. - iteration 77: trace = 6.708845628229398 (7.83727e-09% change) - large trace change predicted (2.4866e-08%) - linmin: converged after 2 iterations. - iteration 78: trace = 6.708845626561165 (2.48662e-08% change) + iteration 71: trace = 6.708845637673427 (3.50128e-08% change) + linmin: converged after 15 iterations. + iteration 72: trace = 6.708845634534958 (4.67811e-08% change) + linmin: converged after 12 iterations. + iteration 73: trace = 6.708845632986939 (2.30743e-08% change) linmin: converged after 4 iterations. - iteration 79: trace = 6.708845625403788 (1.72515e-08% change) + iteration 74: trace = 6.708845630875617 (3.14707e-08% change) linmin: converged after 4 iterations. - iteration 80: trace = 6.708845624796508 (9.05194e-09% change) - linmin: converged after 19 iterations. - iteration 81: trace = 6.708845624335558 (6.87079e-09% change) + iteration 75: trace = 6.708845629670367 (1.79651e-08% change) + linmin: converged after 24 iterations. + iteration 76: trace = 6.70884562875462 (1.36498e-08% change) + linmin: converged after 3 iterations. + iteration 77: trace = 6.708845628229008 (7.83462e-09% change) + large trace change predicted (2.48639e-08%) + linmin: converged after 25 iterations. + iteration 78: trace = 6.708845626560922 (2.4864e-08% change) linmin: converged after 4 iterations. - iteration 82: trace = 6.708845623794145 (8.07014e-09% change) + iteration 79: trace = 6.70884562540218 (1.72719e-08% change) + linmin: converged after 28 iterations. + iteration 80: trace = 6.70884562479466 (9.05551e-09% change) + linmin: converged after 15 iterations. + iteration 81: trace = 6.708845624335286 (6.84729e-09% change) linmin: converged after 4 iterations. - iteration 83: trace = 6.708845623392814 (5.98211e-09% change) + iteration 82: trace = 6.708845623793696 (8.07277e-09% change) linmin: converged after 21 iterations. - iteration 84: trace = 6.708845623153993 (3.5598e-09% change) - linmin: converged after 6 iterations. - iteration 85: trace = 6.708845622824449 (4.91207e-09% change) - linmin: converged after 4 iterations. - iteration 86: trace = 6.708845622522188 (4.50541e-09% change) - linmin: converged after 18 iterations. - iteration 87: trace = 6.708845622387536 (2.00707e-09% change) - linmin: converged after 6 iterations. - iteration 88: trace = 6.708845622195887 (2.85667e-09% change) - linmin: converged after 18 iterations. - iteration 89: trace = 6.70884562208388 (1.66955e-09% change) - linmin: converged after 5 iterations. - iteration 90: trace = 6.708845622027289 (8.43531e-10% change) - linmin: converged after 19 iterations. - iteration 91: trace = 6.708845621977007 (7.49481e-10% change) + iteration 83: trace = 6.708845623387073 (6.061e-09% change) linmin: converged after 4 iterations. - iteration 92: trace = 6.708845621907859 (1.0307e-09% change) - linmin: converged after 2 iterations. - iteration 93: trace = 6.708845621870026 (5.63925e-10% change) + iteration 84: trace = 6.708845623152627 (3.49458e-09% change) + linmin: converged after 7 iterations. + iteration 85: trace = 6.708845622824246 (4.89474e-09% change) linmin: converged after 4 iterations. - iteration 94: trace = 6.708845621841363 (4.27246e-10% change) - linmin: converged after 13 iterations. - iteration 95: trace = 6.708845621811631 (4.43173e-10% change) + iteration 86: trace = 6.708845622519809 (4.53784e-09% change) + linmin: converged after 10 iterations. + iteration 87: trace = 6.708845622381896 (2.0557e-09% change) + linmin: converged after 3 iterations. + iteration 88: trace = 6.708845622195793 (2.77399e-09% change) linmin: converged after 4 iterations. - iteration 96: trace = 6.708845621769525 (6.27617e-10% change) + iteration 89: trace = 6.708845622083587 (1.6725e-09% change) + linmin: converged after 5 iterations. + iteration 90: trace = 6.708845622026749 (8.47224e-10% change) + linmin: converged after 16 iterations. + iteration 91: trace = 6.708845621976815 (7.44292e-10% change) + linmin: converged after 24 iterations. + iteration 92: trace = 6.708845621907823 (1.02837e-09% change) linmin: converged after 4 iterations. - iteration 97: trace = 6.708845621746176 (3.48025e-10% change) + iteration 93: trace = 6.708845621869335 (5.73695e-10% change) linmin: converged after 3 iterations. - iteration 98: trace = 6.708845621736186 (1.48911e-10% change) + iteration 94: trace = 6.708845621841251 (4.18615e-10% change) linmin: converged after 13 iterations. - iteration 99: trace = 6.708845621726324 (1.47005e-10% change) + iteration 95: trace = 6.708845621811554 (4.42656e-10% change) + linmin: converged after 10 iterations. + iteration 96: trace = 6.70884562176952 (6.26545e-10% change) + linmin: converged after 7 iterations. + iteration 97: trace = 6.708845621746257 (3.4674e-10% change) linmin: converged after 6 iterations. - iteration 100: trace = 6.70884562171491 (1.70133e-10% change) + iteration 98: trace = 6.708845621736258 (1.49044e-10% change) + linmin: converged after 5 iterations. + iteration 99: trace = 6.70884562172633 (1.47985e-10% change) + linmin: converged after 2 iterations. + iteration 100: trace = 6.708845621714904 (1.70319e-10% change) linmin: converged after 4 iterations. - iteration 101: trace = 6.708845621705029 (1.47283e-10% change) + iteration 101: trace = 6.708845621705082 (1.46396e-10% change) linmin: converged after 3 iterations. - iteration 102: trace = 6.708845621699838 (7.73682e-11% change) + iteration 102: trace = 6.708845621699862 (7.78183e-11% change) Finished solving for bands 1 to 8 after 102 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.365505, 0.508431, 0.720714, 0.859475, 0.938003, 1.05964, 1.21894, 1.25305 -elapsed time for k point: 1.5809903144836426 +elapsed time for k point: 4.252203702926636 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 6.789698640861451 (0.215819% change) + iteration 1: trace = 6.789698633809191 (0.215819% change) linmin: converged after 4 iterations. - iteration 2: trace = 6.777922877737041 (0.173586% change) + iteration 2: trace = 6.777922874907878 (0.173586% change) linmin: converged after 4 iterations. - iteration 3: trace = 6.769206258646129 (0.128686% change) + iteration 3: trace = 6.769206258588999 (0.128686% change) linmin: converged after 4 iterations. - iteration 4: trace = 6.763253551367551 (0.0879767% change) + iteration 4: trace = 6.763253549953755 (0.0879767% change) linmin: converged after 4 iterations. - iteration 5: trace = 6.760899926657764 (0.0348062% change) + iteration 5: trace = 6.760899925054087 (0.0348062% change) linmin: converged after 4 iterations. - iteration 6: trace = 6.75868135455443 (0.0328201% change) + iteration 6: trace = 6.758681354754137 (0.0328201% change) linmin: converged after 3 iterations. - iteration 7: trace = 6.757086651767944 (0.0235977% change) + iteration 7: trace = 6.757086651621764 (0.0235977% change) linmin: converged after 4 iterations. - iteration 8: trace = 6.755832192494575 (0.0185668% change) + iteration 8: trace = 6.755832192148723 (0.0185668% change) linmin: converged after 3 iterations. - iteration 9: trace = 6.754118495440428 (0.0253694% change) + iteration 9: trace = 6.754118495779664 (0.0253694% change) linmin: converged after 4 iterations. - iteration 10: trace = 6.751749081141424 (0.0350872% change) + iteration 10: trace = 6.751749081335605 (0.0350872% change) linmin: converged after 3 iterations. - iteration 11: trace = 6.749302805579795 (0.0362383% change) + iteration 11: trace = 6.749302803233563 (0.0362383% change) linmin: converged after 3 iterations. - iteration 12: trace = 6.748516481467488 (0.0116511% change) + iteration 12: trace = 6.748516481140149 (0.0116511% change) linmin: converged after 4 iterations. - iteration 13: trace = 6.747249224483678 (0.0187801% change) + iteration 13: trace = 6.747249224640233 (0.0187801% change) linmin: converged after 3 iterations. - iteration 14: trace = 6.746632665005198 (0.00913836% change) + iteration 14: trace = 6.746632665094483 (0.00913836% change) linmin: converged after 4 iterations. - iteration 15: trace = 6.745834466951791 (0.0118318% change) + iteration 15: trace = 6.745834465752674 (0.0118318% change) linmin: converged after 3 iterations. - iteration 16: trace = 6.745082856580287 (0.0111425% change) + iteration 16: trace = 6.745082856496751 (0.0111424% change) linmin: converged after 3 iterations. - iteration 17: trace = 6.743977418317787 (0.0163901% change) + iteration 17: trace = 6.743977418818899 (0.0163901% change) linmin: converged after 3 iterations. - iteration 18: trace = 6.743390381107973 (0.00870499% change) + iteration 18: trace = 6.743390383242796 (0.00870497% change) linmin: converged after 4 iterations. - iteration 19: trace = 6.743072677318737 (0.00471145% change) + iteration 19: trace = 6.743072678219028 (0.00471147% change) linmin: converged after 3 iterations. - iteration 20: trace = 6.742715957521778 (0.00529031% change) - linmin: converged after 4 iterations. - iteration 21: trace = 6.742464018739581 (0.00373653% change) + iteration 20: trace = 6.742715957574696 (0.00529032% change) linmin: converged after 3 iterations. - iteration 22: trace = 6.742330318042049 (0.00198298% change) + iteration 21: trace = 6.742464020086605 (0.00373651% change) linmin: converged after 3 iterations. - iteration 23: trace = 6.742122762263762 (0.00307845% change) + iteration 22: trace = 6.742330320976678 (0.00198296% change) linmin: converged after 3 iterations. - iteration 24: trace = 6.742003826489738 (0.00176409% change) + iteration 23: trace = 6.742122762408378 (0.00307849% change) linmin: converged after 3 iterations. - iteration 25: trace = 6.741880968194836 (0.0018223% change) + iteration 24: trace = 6.742003826540353 (0.00176409% change) linmin: converged after 3 iterations. - iteration 26: trace = 6.741788400386207 (0.00137304% change) + iteration 25: trace = 6.741880968654315 (0.00182229% change) linmin: converged after 3 iterations. - iteration 27: trace = 6.741624608073153 (0.00242954% change) + iteration 26: trace = 6.741788400424308 (0.00137304% change) linmin: converged after 3 iterations. - iteration 28: trace = 6.741503272403072 (0.00179981% change) + iteration 27: trace = 6.741624608298757 (0.00242954% change) linmin: converged after 3 iterations. - iteration 29: trace = 6.741388489363317 (0.00170265% change) - linmin: converged after 6 iterations. - iteration 30: trace = 6.741262264059208 (0.00187241% change) + iteration 28: trace = 6.741503274116909 (0.00179979% change) + linmin: converged after 4 iterations. + iteration 29: trace = 6.741388490429167 (0.00170266% change) + linmin: converged after 8 iterations. + iteration 30: trace = 6.741262264020804 (0.00187243% change) linmin: converged after 4 iterations. - iteration 31: trace = 6.741141893549124 (0.00178559% change) + iteration 31: trace = 6.741141894022464 (0.00178559% change) linmin: converged after 3 iterations. - iteration 32: trace = 6.741091947525104 (0.000740916% change) - large trace change predicted (0.00157119%) + iteration 32: trace = 6.74109194778558 (0.000740919% change) + large trace change predicted (0.0015712%) linmin: converged after 3 iterations. - iteration 33: trace = 6.740986068049176 (0.00157067% change) + iteration 33: trace = 6.740986068071619 (0.00157067% change) linmin: converged after 3 iterations. - iteration 34: trace = 6.740890539396183 (0.00141714% change) - linmin: converged after 5 iterations. - iteration 35: trace = 6.740821369864309 (0.00102612% change) + iteration 34: trace = 6.740890539238255 (0.00141714% change) linmin: converged after 3 iterations. - iteration 36: trace = 6.740737626272201 (0.00124234% change) + iteration 35: trace = 6.740821369640258 (0.00102612% change) linmin: converged after 3 iterations. - iteration 37: trace = 6.740661828964681 (0.00112447% change) + iteration 36: trace = 6.740737626221328 (0.00124234% change) linmin: converged after 3 iterations. - iteration 38: trace = 6.740629875908607 (0.000474036% change) + iteration 37: trace = 6.740661828861594 (0.00112447% change) linmin: converged after 3 iterations. - iteration 39: trace = 6.740602082860931 (0.000412322% change) + iteration 38: trace = 6.740629875483647 (0.00047404% change) + linmin: converged after 4 iterations. + iteration 39: trace = 6.740602082832254 (0.000412316% change) linmin: converged after 3 iterations. - iteration 40: trace = 6.74057055677319 (0.000467705% change) + iteration 40: trace = 6.740570556701472 (0.000467706% change) + linmin: converged after 15 iterations. + iteration 41: trace = 6.740536128832213 (0.000510757% change) linmin: converged after 4 iterations. - iteration 41: trace = 6.740536129170447 (0.000510753% change) + iteration 42: trace = 6.740511930212224 (0.000359002% change) linmin: converged after 4 iterations. - iteration 42: trace = 6.740511930362675 (0.000359005% change) + iteration 43: trace = 6.740477774203758 (0.000506729% change) linmin: converged after 3 iterations. - iteration 43: trace = 6.740477774219896 (0.00050673% change) + iteration 44: trace = 6.740464323510009 (0.000199551% change) linmin: converged after 3 iterations. - iteration 44: trace = 6.740464323511324 (0.000199551% change) - linmin: converged after 5 iterations. - iteration 45: trace = 6.740454927655737 (0.000139395% change) + iteration 45: trace = 6.740454927660496 (0.000139395% change) linmin: converged after 3 iterations. - iteration 46: trace = 6.740442913037723 (0.000178247% change) - linmin: converged after 4 iterations. - iteration 47: trace = 6.740433220338594 (0.000143799% change) + iteration 46: trace = 6.740442913058701 (0.000178246% change) linmin: converged after 3 iterations. - iteration 48: trace = 6.740427239839696 (8.87258e-05% change) + iteration 47: trace = 6.740433220383139 (0.000143799% change) linmin: converged after 3 iterations. - iteration 49: trace = 6.740422387232863 (7.19926e-05% change) + iteration 48: trace = 6.740427240072998 (8.8723e-05% change) linmin: converged after 3 iterations. - iteration 50: trace = 6.740416731179712 (8.39125e-05% change) + iteration 49: trace = 6.740422387262584 (7.19956e-05% change) linmin: converged after 3 iterations. - iteration 51: trace = 6.740414147974462 (3.83241e-05% change) + iteration 50: trace = 6.740416731226987 (8.39122e-05% change) linmin: converged after 4 iterations. - iteration 52: trace = 6.740411996825589 (3.19142e-05% change) + iteration 51: trace = 6.740414148071736 (3.83234e-05% change) linmin: converged after 3 iterations. - iteration 53: trace = 6.740409269503295 (4.04623e-05% change) - linmin: converged after 5 iterations. - iteration 54: trace = 6.740406805457891 (3.65563e-05% change) - linmin: converged after 4 iterations. - iteration 55: trace = 6.740405527763937 (1.89557e-05% change) + iteration 52: trace = 6.740411996847174 (3.19153e-05% change) linmin: converged after 3 iterations. - iteration 56: trace = 6.74040426729544 (1.87002e-05% change) + iteration 53: trace = 6.740409269508348 (4.04625e-05% change) linmin: converged after 4 iterations. - iteration 57: trace = 6.740403728431312 (7.99454e-06% change) + iteration 54: trace = 6.740406805416326 (3.6557e-05% change) + linmin: converged after 4 iterations. + iteration 55: trace = 6.740405527769054 (1.8955e-05% change) linmin: converged after 3 iterations. - iteration 58: trace = 6.74040343821672 (4.3056e-06% change) - linmin: converged after 7 iterations. - iteration 59: trace = 6.74040294381777 (7.33486e-06% change) - linmin: converged after 5 iterations. - iteration 60: trace = 6.740402141835069 (1.18981e-05% change) + iteration 56: trace = 6.740404267303223 (1.87002e-05% change) + linmin: converged after 3 iterations. + iteration 57: trace = 6.740403728427431 (7.99471e-06% change) linmin: converged after 3 iterations. - iteration 61: trace = 6.740401774569884 (5.44871e-06% change) + iteration 58: trace = 6.74040343819223 (4.3059e-06% change) + linmin: converged after 16 iterations. + iteration 59: trace = 6.740402943820226 (7.33446e-06% change) + linmin: converged after 3 iterations. + iteration 60: trace = 6.740402141855679 (1.18979e-05% change) + linmin: converged after 3 iterations. + iteration 61: trace = 6.740401774602421 (5.44854e-06% change) linmin: converged after 4 iterations. - iteration 62: trace = 6.740401383698345 (5.79894e-06% change) - linmin: converged after 21 iterations. - iteration 63: trace = 6.740401213335247 (2.52749e-06% change) - linmin: converged after 6 iterations. - iteration 64: trace = 6.740401083429761 (1.92727e-06% change) + iteration 62: trace = 6.740401383698577 (5.79941e-06% change) linmin: converged after 3 iterations. - iteration 65: trace = 6.740400960821545 (1.819e-06% change) - linmin: converged after 20 iterations. - iteration 66: trace = 6.740400775719694 (2.74615e-06% change) + iteration 63: trace = 6.74040121333598 (2.52748e-06% change) + linmin: converged after 11 iterations. + iteration 64: trace = 6.740401083437249 (1.92717e-06% change) linmin: converged after 4 iterations. - iteration 67: trace = 6.740400708161001 (1.00229e-06% change) + iteration 65: trace = 6.740400960825165 (1.81906e-06% change) linmin: converged after 3 iterations. - iteration 68: trace = 6.740400660070397 (7.13468e-07% change) + iteration 66: trace = 6.740400775720624 (2.74619e-06% change) linmin: converged after 4 iterations. - iteration 69: trace = 6.740400622547428 (5.56688e-07% change) + iteration 67: trace = 6.740400708166186 (1.00223e-06% change) + linmin: converged after 19 iterations. + iteration 68: trace = 6.740400660070001 (7.13551e-07% change) + linmin: converged after 31 iterations. + iteration 69: trace = 6.74040062254798 (5.56673e-07% change) resetting CG direction... + linmin: converged after 6 iterations. + iteration 70: trace = 6.74040060312624 (2.88139e-07% change) linmin: converged after 3 iterations. - iteration 70: trace = 6.740400603121152 (2.88207e-07% change) - linmin: converged after 25 iterations. - iteration 71: trace = 6.740400587234104 (2.35699e-07% change) + iteration 71: trace = 6.740400587239849 (2.35689e-07% change) + linmin: converged after 4 iterations. + iteration 72: trace = 6.740400563945599 (3.45591e-07% change) + linmin: converged after 4 iterations. + iteration 73: trace = 6.74040053383998 (4.46644e-07% change) + linmin: converged after 7 iterations. + iteration 74: trace = 6.740400521568885 (1.82053e-07% change) linmin: converged after 3 iterations. - iteration 72: trace = 6.740400563942032 (3.45559e-07% change) + iteration 75: trace = 6.740400502328089 (2.85455e-07% change) linmin: converged after 3 iterations. - iteration 73: trace = 6.74040053383458 (4.46672e-07% change) - linmin: converged after 2 iterations. - iteration 74: trace = 6.740400521561845 (1.82077e-07% change) - linmin: converged after 2 iterations. - iteration 75: trace = 6.740400502327783 (2.85355e-07% change) + iteration 76: trace = 6.740400485759526 (2.4581e-07% change) + linmin: converged after 5 iterations. + iteration 77: trace = 6.740400468356567 (2.58189e-07% change) linmin: converged after 2 iterations. - iteration 76: trace = 6.740400485760162 (2.45796e-07% change) + iteration 78: trace = 6.740400451031929 (2.57027e-07% change) + linmin: converged after 5 iterations. + iteration 79: trace = 6.740400430663574 (3.02183e-07% change) linmin: converged after 3 iterations. - iteration 77: trace = 6.740400468354878 (2.58223e-07% change) + iteration 80: trace = 6.740400419609705 (1.63994e-07% change) + linmin: converged after 6 iterations. + iteration 81: trace = 6.740400411511883 (1.20139e-07% change) + linmin: converged after 4 iterations. + iteration 82: trace = 6.740400400771231 (1.59347e-07% change) + linmin: converged after 16 iterations. + iteration 83: trace = 6.740400386869953 (2.06238e-07% change) linmin: converged after 7 iterations. - iteration 78: trace = 6.740400451032714 (2.5699e-07% change) - linmin: converged after 8 iterations. - iteration 79: trace = 6.740400430663469 (3.02196e-07% change) - linmin: converged after 3 iterations. - iteration 80: trace = 6.740400419605584 (1.64054e-07% change) + iteration 84: trace = 6.740400376231782 (1.57827e-07% change) + linmin: converged after 7 iterations. + iteration 85: trace = 6.740400359188088 (2.52859e-07% change) + linmin: converged after 23 iterations. + iteration 86: trace = 6.740400345751037 (1.99351e-07% change) + linmin: converged after 7 iterations. + iteration 87: trace = 6.740400338469485 (1.08028e-07% change) linmin: converged after 4 iterations. - iteration 81: trace = 6.740400411510347 (1.201e-07% change) + iteration 88: trace = 6.740400333644134 (7.15885e-08% change) + linmin: converged after 8 iterations. + iteration 89: trace = 6.740400326303966 (1.08898e-07% change) linmin: converged after 4 iterations. - iteration 82: trace = 6.740400400770022 (1.59343e-07% change) - linmin: converged after 5 iterations. - iteration 83: trace = 6.740400386870794 (2.06208e-07% change) - linmin: converged after 5 iterations. - iteration 84: trace = 6.740400376234819 (1.57794e-07% change) + iteration 90: trace = 6.740400316356354 (1.47582e-07% change) + linmin: converged after 3 iterations. + iteration 91: trace = 6.740400308733944 (1.13085e-07% change) linmin: converged after 5 iterations. - iteration 85: trace = 6.740400359188582 (2.52896e-07% change) + iteration 92: trace = 6.740400300065566 (1.28603e-07% change) linmin: converged after 7 iterations. - iteration 86: trace = 6.740400345750545 (1.99366e-07% change) - linmin: converged after 2 iterations. - iteration 87: trace = 6.740400338469746 (1.08017e-07% change) - linmin: converged after 4 iterations. - iteration 88: trace = 6.740400333643833 (7.15968e-08% change) + iteration 93: trace = 6.740400294142513 (8.78739e-08% change) linmin: converged after 4 iterations. - iteration 89: trace = 6.740400326303956 (1.08894e-07% change) + iteration 94: trace = 6.740400290938995 (4.75271e-08% change) linmin: converged after 4 iterations. - iteration 90: trace = 6.740400316352233 (1.47643e-07% change) + iteration 95: trace = 6.740400289529077 (2.09174e-08% change) + large trace change predicted (5.3242e-08%) + linmin: converged after 2 iterations. + iteration 96: trace = 6.740400285940314 (5.32426e-08% change) + linmin: converged after 12 iterations. + iteration 97: trace = 6.740400283468649 (3.66694e-08% change) linmin: converged after 4 iterations. - iteration 91: trace = 6.740400308721648 (1.13207e-07% change) + iteration 98: trace = 6.740400281379826 (3.09896e-08% change) linmin: converged after 4 iterations. - iteration 92: trace = 6.740400300062985 (1.28459e-07% change) - linmin: converged after 9 iterations. - iteration 93: trace = 6.740400294141174 (8.78555e-08% change) + iteration 99: trace = 6.740400280637219 (1.10173e-08% change) + linmin: converged after 5 iterations. + iteration 100: trace = 6.7404002796497 (1.46508e-08% change) + linmin: converged after 16 iterations. + iteration 101: trace = 6.740400278730779 (1.3633e-08% change) + linmin: converged after 29 iterations. + iteration 102: trace = 6.740400277986254 (1.10457e-08% change) linmin: converged after 4 iterations. - iteration 94: trace = 6.740400290913058 (4.7892e-08% change) - linmin: converged after 18 iterations. - iteration 95: trace = 6.740400289497243 (2.10049e-08% change) - large trace change predicted (5.2805e-08%) + iteration 103: trace = 6.740400277260739 (1.07637e-08% change) linmin: converged after 4 iterations. - iteration 96: trace = 6.740400285937942 (5.28055e-08% change) + iteration 104: trace = 6.740400276416281 (1.25283e-08% change) linmin: converged after 3 iterations. - iteration 97: trace = 6.740400283463217 (3.67148e-08% change) + iteration 105: trace = 6.740400275748705 (9.9041e-09% change) + linmin: converged after 13 iterations. + iteration 106: trace = 6.740400275455274 (4.35332e-09% change) + linmin: converged after 5 iterations. + iteration 107: trace = 6.740400275281644 (2.57596e-09% change) + linmin: converged after 22 iterations. + iteration 108: trace = 6.740400275011923 (4.00156e-09% change) linmin: converged after 4 iterations. - iteration 98: trace = 6.74040028134382 (3.14432e-08% change) + iteration 109: trace = 6.740400274878135 (1.98487e-09% change) + linmin: converged after 21 iterations. + iteration 110: trace = 6.740400274750899 (1.88766e-09% change) + linmin: converged after 20 iterations. + iteration 111: trace = 6.740400274636951 (1.69052e-09% change) + linmin: converged after 11 iterations. + iteration 112: trace = 6.74040027454282 (1.39652e-09% change) linmin: converged after 6 iterations. - iteration 99: trace = 6.740400280029284 (1.95023e-08% change) - linmin: converged after 14 iterations. - iteration 100: trace = 6.740400279556239 (7.01806e-09% change) + iteration 113: trace = 6.740400274513787 (4.30728e-10% change) + linmin: converged after 13 iterations. + iteration 114: trace = 6.740400274462895 (7.55025e-10% change) linmin: converged after 4 iterations. - iteration 101: trace = 6.740400278706889 (1.26009e-08% change) + iteration 115: trace = 6.740400274397404 (9.71628e-10% change) + linmin: converged after 19 iterations. + iteration 116: trace = 6.74040027435167 (6.78507e-10% change) + linmin: converged after 12 iterations. + iteration 117: trace = 6.740400274329971 (3.21913e-10% change) + linmin: converged after 12 iterations. + iteration 118: trace = 6.740400274300264 (4.40742e-10% change) linmin: converged after 9 iterations. - iteration 102: trace = 6.740400277957828 (1.1113e-08% change) - linmin: converged after 4 iterations. - iteration 103: trace = 6.74040027725008 (1.05001e-08% change) - linmin: converged after 6 iterations. - iteration 104: trace = 6.740400276415501 (1.23817e-08% change) - linmin: converged after 4 iterations. - iteration 105: trace = 6.740400275748151 (9.90076e-09% change) - linmin: converged after 15 iterations. - iteration 106: trace = 6.740400275449092 (4.43681e-09% change) - linmin: converged after 4 iterations. - iteration 107: trace = 6.740400275279894 (2.51021e-09% change) - linmin: converged after 3 iterations. - iteration 108: trace = 6.740400275008873 (4.02085e-09% change) - linmin: converged after 24 iterations. - iteration 109: trace = 6.740400274867506 (2.09731e-09% change) - linmin: converged after 7 iterations. - iteration 110: trace = 6.740400274745429 (1.81112e-09% change) - linmin: converged after 4 iterations. - iteration 111: trace = 6.740400274636625 (1.61421e-09% change) - linmin: converged after 15 iterations. - iteration 112: trace = 6.740400274539723 (1.43763e-09% change) - linmin: converged after 2 iterations. - iteration 113: trace = 6.740400274501827 (5.6222e-10% change) - linmin: converged after 4 iterations. - iteration 114: trace = 6.740400274460936 (6.06653e-10% change) - linmin: converged after 20 iterations. - iteration 115: trace = 6.740400274396968 (9.49016e-10% change) - linmin: converged after 4 iterations. - iteration 116: trace = 6.740400274346779 (7.44602e-10% change) + iteration 119: trace = 6.74040027427553 (3.66951e-10% change) linmin: converged after 4 iterations. - iteration 117: trace = 6.740400274324457 (3.31176e-10% change) - linmin: converged after 10 iterations. - iteration 118: trace = 6.740400274300108 (3.61233e-10% change) + iteration 120: trace = 6.740400274262241 (1.97153e-10% change) linmin: converged after 12 iterations. - iteration 119: trace = 6.740400274274156 (3.85017e-10% change) - linmin: converged after 5 iterations. - iteration 120: trace = 6.740400274255693 (2.73922e-10% change) - linmin: converged after 5 iterations. - iteration 121: trace = 6.740400274240774 (2.21333e-10% change) + iteration 121: trace = 6.740400274248134 (2.09289e-10% change) + linmin: converged after 4 iterations. + iteration 122: trace = 6.74040027423582 (1.82685e-10% change) linmin: converged after 4 iterations. - iteration 122: trace = 6.740400274235373 (8.0129e-11% change) -Finished solving for bands 1 to 8 after 122 iterations. + iteration 123: trace = 6.740400274230122 (8.45301e-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: 1.88887619972229 +elapsed time for k point: 7.495814800262451 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. - iteration 1: trace = 6.787869131036962 (0.213562% change) + iteration 1: trace = 6.787868894561756 (0.213566% change) linmin: converged after 3 iterations. - iteration 2: trace = 6.776022184685056 (0.174684% change) + iteration 2: trace = 6.776022097859532 (0.174681% change) linmin: converged after 3 iterations. - iteration 3: trace = 6.769929110656107 (0.0899616% change) + iteration 3: trace = 6.769929070049329 (0.0899609% change) linmin: converged after 4 iterations. - iteration 4: trace = 6.767085903214131 (0.0420064% change) + iteration 4: trace = 6.767085858919716 (0.0420065% change) linmin: converged after 4 iterations. - iteration 5: trace = 6.76529893784572 (0.0264102% change) + iteration 5: trace = 6.765298899184147 (0.0264101% change) linmin: converged after 3 iterations. - iteration 6: trace = 6.763340738832111 (0.0289489% change) + iteration 6: trace = 6.763340703504475 (0.0289489% change) linmin: converged after 4 iterations. - iteration 7: trace = 6.760043765597652 (0.0487596% change) - linmin: converged after 5 iterations. - iteration 8: trace = 6.757627129829937 (0.0357552% change) + iteration 7: trace = 6.760043703128134 (0.04876% change) + linmin: converged after 4 iterations. + iteration 8: trace = 6.757627094571365 (0.0357548% change) linmin: converged after 4 iterations. - iteration 9: trace = 6.754120010583084 (0.0519122% change) + iteration 9: trace = 6.754119979398712 (0.0519121% change) linmin: converged after 4 iterations. - iteration 10: trace = 6.751635291017786 (0.036795% change) + iteration 10: trace = 6.75163525675401 (0.036795% change) linmin: converged after 4 iterations. - iteration 11: trace = 6.749275841749045 (0.0349524% change) + iteration 11: trace = 6.749275913842616 (0.0349509% change) linmin: converged after 4 iterations. - iteration 12: trace = 6.748513898439189 (0.0112899% change) - large trace change predicted (0.0342013%) + iteration 12: trace = 6.748514035543023 (0.0112889% change) + large trace change predicted (0.0342028%) linmin: converged after 3 iterations. - iteration 13: trace = 6.746182767456395 (0.0345488% change) + iteration 13: trace = 6.746182802192854 (0.0345504% change) linmin: converged after 3 iterations. - iteration 14: trace = 6.744300769664274 (0.0279011% change) + iteration 14: trace = 6.744301253387214 (0.0278945% change) linmin: converged after 3 iterations. - iteration 15: trace = 6.742003412442922 (0.0340695% change) + iteration 15: trace = 6.742003628869275 (0.0340734% change) linmin: converged after 3 iterations. - iteration 16: trace = 6.740281200562176 (0.0255478% change) + iteration 16: trace = 6.740281272288031 (0.0255499% change) linmin: converged after 3 iterations. - iteration 17: trace = 6.739215643646952 (0.01581% change) + iteration 17: trace = 6.739215834939365 (0.0158083% change) linmin: converged after 4 iterations. - iteration 18: trace = 6.738862055027246 (0.00524687% change) + iteration 18: trace = 6.738862256984321 (0.00524671% change) linmin: converged after 3 iterations. - iteration 19: trace = 6.738332326270477 (0.00786111% change) + iteration 19: trace = 6.73833234994108 (0.00786376% change) linmin: converged after 3 iterations. - iteration 20: trace = 6.737625986131111 (0.010483% change) + iteration 20: trace = 6.737625971738113 (0.0104835% change) linmin: converged after 3 iterations. - iteration 21: trace = 6.737211471468036 (0.00615243% change) + iteration 21: trace = 6.737211474384879 (0.00615217% change) linmin: converged after 3 iterations. - iteration 22: trace = 6.736596736496211 (0.00912489% change) + iteration 22: trace = 6.736596697591564 (0.00912551% change) linmin: converged after 3 iterations. - iteration 23: trace = 6.736116024152479 (0.00713609% change) - linmin: converged after 3 iterations. - iteration 24: trace = 6.735569729691633 (0.00811026% change) + iteration 23: trace = 6.736116014632835 (0.00713565% change) + linmin: converged after 4 iterations. + iteration 24: trace = 6.735569710627169 (0.0081104% change) linmin: converged after 3 iterations. - iteration 25: trace = 6.735310739414691 (0.00384519% change) + iteration 25: trace = 6.735310736430284 (0.00384495% change) linmin: converged after 3 iterations. - iteration 26: trace = 6.734879755717884 (0.00639907% change) + iteration 26: trace = 6.734879759572813 (0.00639897% change) linmin: converged after 4 iterations. - iteration 27: trace = 6.734393207020597 (0.00722457% change) + iteration 27: trace = 6.734393376777808 (0.00722211% change) linmin: converged after 3 iterations. - iteration 28: trace = 6.733901757301224 (0.00729788% change) + iteration 28: trace = 6.733901809133098 (0.00729963% change) linmin: converged after 3 iterations. - iteration 29: trace = 6.733209964646174 (0.0102738% change) + iteration 29: trace = 6.733209907494645 (0.0102754% change) linmin: converged after 5 iterations. - iteration 30: trace = 6.732349680864258 (0.0127775% change) + iteration 30: trace = 6.73234965260204 (0.0127771% change) linmin: converged after 4 iterations. - iteration 31: trace = 6.731921993238844 (0.00635293% change) + iteration 31: trace = 6.731921757479517 (0.00635601% change) linmin: converged after 3 iterations. - iteration 32: trace = 6.731461181293171 (0.00684541% change) + iteration 32: trace = 6.73146114838392 (0.0068424% change) linmin: converged after 3 iterations. - iteration 33: trace = 6.731024364467298 (0.00648939% change) + iteration 33: trace = 6.731024257593041 (0.00649049% change) linmin: converged after 3 iterations. - iteration 34: trace = 6.730758295826775 (0.00395295% change) + iteration 34: trace = 6.730758281390215 (0.00395157% change) linmin: converged after 3 iterations. - iteration 35: trace = 6.730487963239781 (0.00401646% change) + iteration 35: trace = 6.730487896341662 (0.00401724% change) linmin: converged after 3 iterations. - iteration 36: trace = 6.730155609994504 (0.00493815% change) + iteration 36: trace = 6.730155611095073 (0.00493714% change) linmin: converged after 3 iterations. - iteration 37: trace = 6.729721020072288 (0.00645756% change) + iteration 37: trace = 6.72972126355817 (0.00645396% change) linmin: converged after 4 iterations. - iteration 38: trace = 6.729527784822336 (0.00287141% change) + iteration 38: trace = 6.729527916186817 (0.00287308% change) linmin: converged after 3 iterations. - iteration 39: trace = 6.729325321973416 (0.00300862% change) + iteration 39: trace = 6.729325307392039 (0.00301079% change) linmin: converged after 4 iterations. - iteration 40: trace = 6.729238834151795 (0.00128525% change) + iteration 40: trace = 6.729238816203681 (0.0012853% change) linmin: converged after 3 iterations. - iteration 41: trace = 6.729183792049949 (0.000817958% change) - linmin: converged after 4 iterations. - iteration 42: trace = 6.729120140138635 (0.000945913% change) - linmin: converged after 10 iterations. - iteration 43: trace = 6.729017048419902 (0.00153204% change) - linmin: converged after 3 iterations. - iteration 44: trace = 6.728962331344335 (0.000813154% change) + iteration 41: trace = 6.729183779395769 (0.000817879% change) + linmin: converged after 6 iterations. + iteration 42: trace = 6.729120115637182 (0.000946089% change) linmin: converged after 3 iterations. - iteration 45: trace = 6.728906736029314 (0.000826213% change) + iteration 43: trace = 6.729017040020709 (0.0015318% change) linmin: converged after 3 iterations. - iteration 46: trace = 6.72886752280901 (0.000582759% change) + iteration 44: trace = 6.728962305932486 (0.000813407% change) linmin: converged after 3 iterations. - iteration 47: trace = 6.728848431634932 (0.000283721% change) + iteration 45: trace = 6.728906725084051 (0.000825998% change) linmin: converged after 3 iterations. - iteration 48: trace = 6.728839603454578 (0.000131199% change) - linmin: converged after 5 iterations. - iteration 49: trace = 6.728828041633498 (0.000171825% change) - linmin: converged after 5 iterations. - iteration 50: trace = 6.728815697425562 (0.000183453% change) - linmin: converged after 4 iterations. - iteration 51: trace = 6.728808307359564 (0.000109827% change) - linmin: converged after 5 iterations. - iteration 52: trace = 6.728797325368938 (0.000163209% change) + iteration 46: trace = 6.728867495942988 (0.000582996% change) linmin: converged after 3 iterations. - iteration 53: trace = 6.728790329078553 (0.000103975% change) + iteration 47: trace = 6.728848429906664 (0.000283347% change) linmin: converged after 3 iterations. - iteration 54: trace = 6.728785446676176 (7.25599e-05% change) - linmin: converged after 4 iterations. - iteration 55: trace = 6.728781938565318 (5.21359e-05% change) + iteration 48: trace = 6.728839595428558 (0.000131293% change) + linmin: converged after 5 iterations. + iteration 49: trace = 6.728828036383319 (0.000171784% change) linmin: converged after 3 iterations. - iteration 56: trace = 6.728777422778094 (6.71115e-05% change) + iteration 50: trace = 6.728815696153597 (0.000183394% change) + linmin: converged after 6 iterations. + iteration 51: trace = 6.72880830562058 (0.000109834% change) linmin: converged after 4 iterations. - iteration 57: trace = 6.728774451842456 (4.41527e-05% change) + iteration 52: trace = 6.728797313435932 (0.00016336% change) linmin: converged after 5 iterations. - iteration 58: trace = 6.728770672016333 (5.61741e-05% change) + iteration 53: trace = 6.728790322962288 (0.000103889% change) linmin: converged after 3 iterations. - iteration 59: trace = 6.728766387933817 (6.36682e-05% change) - linmin: converged after 4 iterations. - iteration 60: trace = 6.728759704415217 (9.93276e-05% change) + iteration 54: trace = 6.728785442530073 (7.25306e-05% change) linmin: converged after 4 iterations. - iteration 61: trace = 6.728756010728964 (5.4894e-05% change) - linmin: converged after 4 iterations. - iteration 62: trace = 6.728751332586158 (6.95247e-05% change) - linmin: converged after 4 iterations. - iteration 63: trace = 6.728747964821566 (5.00504e-05% change) - linmin: converged after 4 iterations. - iteration 64: trace = 6.728746080846179 (2.79989e-05% change) - linmin: converged after 8 iterations. - iteration 65: trace = 6.728743719135814 (3.50988e-05% change) + iteration 55: trace = 6.728781934730987 (5.21313e-05% change) linmin: converged after 3 iterations. - iteration 66: trace = 6.728741219553012 (3.71478e-05% change) - linmin: converged after 4 iterations. - iteration 67: trace = 6.728737882113636 (4.95998e-05% change) - linmin: converged after 4 iterations. - iteration 68: trace = 6.72873536428061 (3.74191e-05% change) + iteration 56: trace = 6.728777421027439 (6.70806e-05% change) linmin: converged after 3 iterations. - iteration 69: trace = 6.728731340105782 (5.98058e-05% change) - resetting CG direction... - linmin: converged after 4 iterations. - iteration 70: trace = 6.728730346437088 (1.47676e-05% change) + iteration 57: trace = 6.728774464387391 (4.39402e-05% change) + linmin: converged after 9 iterations. + iteration 58: trace = 6.728770671402769 (5.63696e-05% change) + linmin: converged after 3 iterations. + iteration 59: trace = 6.728766383700355 (6.37219e-05% change) linmin: converged after 3 iterations. - iteration 71: trace = 6.7287296102217 (1.09414e-05% change) + iteration 60: trace = 6.728759702599734 (9.92917e-05% change) linmin: converged after 5 iterations. - iteration 72: trace = 6.728728725309153 (1.31513e-05% change) + iteration 61: trace = 6.728756008018565 (5.49073e-05% change) linmin: converged after 3 iterations. - iteration 73: trace = 6.728727749456139 (1.45028e-05% change) + iteration 62: trace = 6.72875132999046 (6.9523e-05% change) + linmin: converged after 5 iterations. + iteration 63: trace = 6.728747963531919 (5.0031e-05% change) linmin: converged after 3 iterations. - iteration 74: trace = 6.728727118022348 (9.38415e-06% change) - linmin: converged after 6 iterations. - iteration 75: trace = 6.728726359531559 (1.12724e-05% change) + iteration 64: trace = 6.728746082036418 (2.7962e-05% change) linmin: converged after 4 iterations. - iteration 76: trace = 6.728725548381308 (1.2055e-05% change) - linmin: converged after 3 iterations. - iteration 77: trace = 6.728725091502313 (6.78998e-06% change) + iteration 65: trace = 6.728743717519837 (3.51405e-05% change) linmin: converged after 4 iterations. - iteration 78: trace = 6.728724368396527 (1.07466e-05% change) - linmin: converged after 3 iterations. - iteration 79: trace = 6.728723588971228 (1.15836e-05% change) - linmin: converged after 3 iterations. - iteration 80: trace = 6.728722668671786 (1.36772e-05% change) + iteration 66: trace = 6.728741219038851 (3.71315e-05% change) + linmin: converged after 8 iterations. + iteration 67: trace = 6.728737885736026 (4.95383e-05% change) linmin: converged after 3 iterations. - iteration 81: trace = 6.728722087357824 (8.63929e-06% change) - linmin: converged after 7 iterations. - iteration 82: trace = 6.728721147812294 (1.39632e-05% change) - linmin: converged after 13 iterations. - iteration 83: trace = 6.728720480630803 (9.91543e-06% change) - linmin: converged after 14 iterations. - iteration 84: trace = 6.728720022250231 (6.8123e-06% change) + iteration 68: trace = 6.728735364539105 (3.74691e-05% change) linmin: converged after 4 iterations. - iteration 85: trace = 6.728719587217784 (6.46531e-06% change) + iteration 69: trace = 6.728731337984738 (5.98412e-05% change) + resetting CG direction... linmin: converged after 4 iterations. - iteration 86: trace = 6.728719152626347 (6.45875e-06% change) - linmin: converged after 11 iterations. - iteration 87: trace = 6.728718340375255 (1.20714e-05% change) - linmin: converged after 3 iterations. - iteration 88: trace = 6.728717407165203 (1.38691e-05% change) + iteration 70: trace = 6.72873034437392 (1.47667e-05% change) linmin: converged after 3 iterations. - iteration 89: trace = 6.728717031586748 (5.58172e-06% change) - linmin: converged after 3 iterations. - iteration 90: trace = 6.728716494221418 (7.98615e-06% change) - linmin: converged after 15 iterations. - iteration 91: trace = 6.728716173520308 (4.76616e-06% change) + iteration 71: trace = 6.72872960776986 (1.09471e-05% change) linmin: converged after 3 iterations. - iteration 92: trace = 6.728715871447425 (4.48931e-06% change) + iteration 72: trace = 6.728728722987234 (1.31493e-05% change) linmin: converged after 3 iterations. - iteration 93: trace = 6.728715607440366 (3.92359e-06% change) - large trace change predicted (1.12189e-05%) - linmin: converged after 4 iterations. - iteration 94: trace = 6.728714852406108 (1.12211e-05% change) + iteration 73: trace = 6.728727748014585 (1.44897e-05% change) linmin: converged after 3 iterations. - iteration 95: trace = 6.728714141787086 (1.0561e-05% change) + iteration 74: trace = 6.728727116998245 (9.37794e-06% change) linmin: converged after 3 iterations. - iteration 96: trace = 6.728713790147111 (5.22596e-06% change) - linmin: converged after 4 iterations. - iteration 97: trace = 6.728713564338646 (3.35589e-06% change) + iteration 75: trace = 6.728726357738136 (1.12839e-05% change) linmin: converged after 4 iterations. - iteration 98: trace = 6.728713374813461 (2.81666e-06% change) + iteration 76: trace = 6.728725546067456 (1.20628e-05% change) linmin: converged after 3 iterations. - iteration 99: trace = 6.728713158583984 (3.21353e-06% change) - linmin: converged after 8 iterations. - iteration 100: trace = 6.728713034371206 (1.84601e-06% change) - large trace change predicted (4.58519e-06%) - linmin: converged after 4 iterations. - iteration 101: trace = 6.728712725847025 (4.58519e-06% change) + iteration 77: trace = 6.728725087750155 (6.81135e-06% change) linmin: converged after 2 iterations. - iteration 102: trace = 6.728712543886957 (2.70423e-06% change) - linmin: converged after 6 iterations. - iteration 103: trace = 6.728712456692896 (1.29585e-06% change) - linmin: converged after 2 iterations. - iteration 104: trace = 6.72871239495213 (9.17572e-07% change) + iteration 78: trace = 6.728724366364244 (1.0721e-05% change) linmin: converged after 5 iterations. - iteration 105: trace = 6.728712336779145 (8.64549e-07% change) + iteration 79: trace = 6.72872358722023 (1.15794e-05% change) linmin: converged after 4 iterations. - iteration 106: trace = 6.728712234119468 (1.5257e-06% change) + iteration 80: trace = 6.728722669521229 (1.36385e-05% change) linmin: converged after 3 iterations. - iteration 107: trace = 6.728712175230691 (8.75186e-07% change) - linmin: converged after 5 iterations. - iteration 108: trace = 6.728712078390714 (1.43921e-06% change) - linmin: converged after 2 iterations. - iteration 109: trace = 6.728712037088355 (6.13823e-07% change) - linmin: converged after 4 iterations. - iteration 110: trace = 6.728712016997982 (2.98577e-07% change) - linmin: converged after 2 iterations. - iteration 111: trace = 6.7287119995814 (2.5884e-07% change) - linmin: converged after 5 iterations. - iteration 112: trace = 6.728711988167984 (1.69623e-07% change) - large trace change predicted (5.45653e-07%) - linmin: converged after 7 iterations. - iteration 113: trace = 6.728711951454009 (5.45632e-07% change) - linmin: converged after 7 iterations. - iteration 114: trace = 6.728711933875413 (2.61248e-07% change) + switching to approximate line minimization (decrease time by 99.6414%) + iteration 81: trace = 6.728722087341527 (8.65216e-06% change) + iteration 82: trace = 6.728721146582754 (1.39812e-05% change) + iteration 83: trace = 6.72872047931588 (9.9167e-06% change) + iteration 84: trace = 6.728720020933872 (6.81232e-06% change) + iteration 85: trace = 6.728719586589971 (6.45507e-06% change) + iteration 86: trace = 6.728719151538005 (6.4656e-06% change) + iteration 87: trace = 6.728718339515258 (1.2068e-05% change) + iteration 88: trace = 6.728717408164749 (1.38414e-05% change) + iteration 89: trace = 6.7287170340158 (5.56048e-06% change) + iteration 90: trace = 6.728716493535449 (8.03244e-06% change) + iteration 91: trace = 6.728716172968326 (4.76416e-06% change) + iteration 92: trace = 6.728715872209299 (4.46978e-06% change) + iteration 93: trace = 6.728715607201637 (3.93846e-06% change) + iteration 94: trace = 6.728714852374112 (1.1218e-05% change) + iteration 95: trace = 6.728714146990123 (1.04832e-05% change) + iteration 96: trace = 6.728713797476212 (5.19436e-06% change) + iteration 97: trace = 6.728713565621462 (3.44575e-06% change) + iteration 98: trace = 6.728713375313527 (2.8283e-06% change) + iteration 99: trace = 6.728713167923505 (3.08216e-06% change) + iteration 100: trace = 6.728713037857487 (1.933e-06% change) + iteration 101: trace = 6.728712726403687 (4.62873e-06% change) + iteration 102: trace = 6.728712549208104 (2.63342e-06% change) + iteration 103: trace = 6.728712458549027 (1.34735e-06% change) + iteration 104: trace = 6.728712395597988 (9.35558e-07% change) + iteration 105: trace = 6.728712336833411 (8.73341e-07% change) + iteration 106: trace = 6.728712233857637 (1.53039e-06% change) + iteration 107: trace = 6.72871217380715 (8.92451e-07% change) + iteration 108: trace = 6.728712079359124 (1.40366e-06% change) + iteration 109: trace = 6.728712038741649 (6.03644e-07% change) + iteration 110: trace = 6.728712018119291 (3.06483e-07% change) + iteration 111: trace = 6.728712004434832 (2.03374e-07% change) + iteration 112: trace = 6.728711988542053 (2.36193e-07% change) + iteration 113: trace = 6.728711952129176 (5.41157e-07% change) + iteration 114: trace = 6.728711935191567 (2.51721e-07% change) + iteration 115: trace = 6.728711913548405 (3.21654e-07% change) + iteration 116: trace = 6.728711900785095 (1.89684e-07% change) + iteration 117: trace = 6.728711892822427 (1.18339e-07% change) + iteration 118: trace = 6.728711887385789 (8.07976e-08% change) + iteration 119: trace = 6.728711875206653 (1.81002e-07% change) + iteration 120: trace = 6.728711860709738 (2.15449e-07% change) + iteration 121: trace = 6.728711851801041 (1.32398e-07% change) + iteration 122: trace = 6.728711845843493 (8.85392e-08% change) + iteration 123: trace = 6.728711840099167 (8.53704e-08% change) + iteration 124: trace = 6.728711835187644 (7.29935e-08% change) + iteration 125: trace = 6.72871183200334 (4.73241e-08% change) + iteration 126: trace = 6.728711823384407 (1.28092e-07% change) + iteration 127: trace = 6.728711816822633 (9.7519e-08% change) + iteration 128: trace = 6.728711813975774 (4.23091e-08% change) + iteration 129: trace = 6.728711812045979 (2.868e-08% change) + iteration 130: trace = 6.728711806514637 (8.22051e-08% change) + iteration 131: trace = 6.728711791389195 (2.2479e-07% change) + iteration 132: trace = 6.728711776677952 (2.18634e-07% change) + iteration 133: trace = 6.728711763580086 (1.94656e-07% change) + iteration 134: trace = 6.728711750861197 (1.89024e-07% change) + iteration 135: trace = 6.728711720474355 (4.516e-07% change) + iteration 136: trace = 6.728711680505707 (5.94001e-07% change) + iteration 137: trace = 6.728711533712072 (2.1816e-06% change) + switching back to exact line minimization + large trace change predicted (0.208719%) + large theta (-4.19984) + linmin: converged after 76 iterations. + iteration 138: trace = 6.728711533712064 (1.18798e-13% change) +Finished solving for bands 1 to 8 after 138 iterations. +tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.407624, 0.596325, 0.643243, 0.739976, 1.03397, 1.05588, 1.19281, 1.28018 +elapsed time for k point: 6.061931133270264 +solve_kpoint (0.5,0.5,0): +Solving for bands 1 to 8... linmin: converged after 4 iterations. - iteration 115: trace = 6.728711912633354 (3.15693e-07% change) - linmin: converged after 6 iterations. - iteration 116: trace = 6.72871190060396 (1.78777e-07% change) - linmin: converged after 11 iterations. - iteration 117: trace = 6.728711892210939 (1.24734e-07% change) + iteration 1: trace = 6.741959207618995 (0.146645% change) linmin: converged after 4 iterations. - iteration 118: trace = 6.728711886442328 (8.57313e-08% change) + iteration 2: trace = 6.736762844064589 (0.0771047% change) + linmin: converged after 3 iterations. + iteration 3: trace = 6.733708516267725 (0.0453485% change) + linmin: converged after 3 iterations. + iteration 4: trace = 6.732539629277895 (0.0173602% change) + linmin: converged after 3 iterations. + iteration 5: trace = 6.731377633109154 (0.0172609% change) linmin: converged after 4 iterations. - iteration 119: trace = 6.72871187512406 (1.68209e-07% change) - linmin: converged after 9 iterations. - iteration 120: trace = 6.72871186029251 (2.20422e-07% change) - linmin: converged after 5 iterations. - iteration 121: trace = 6.728711852295838 (1.18844e-07% change) - linmin: converged after 6 iterations. - iteration 122: trace = 6.72871184597498 (9.39386e-08% change) + iteration 6: trace = 6.730507855737708 (0.0129221% change) + large trace change predicted (0.0418862%) linmin: converged after 4 iterations. - iteration 123: trace = 6.728711840446691 (8.21597e-08% change) - linmin: converged after 3 iterations. - iteration 124: trace = 6.728711834879699 (8.27349e-08% change) - linmin: converged after 16 iterations. - iteration 125: trace = 6.728711831685318 (4.74739e-08% change) - large trace change predicted (1.16554e-07%) + iteration 7: trace = 6.727628158139647 (0.0427949% change) linmin: converged after 4 iterations. - iteration 126: trace = 6.728711823842804 (1.16553e-07% change) - linmin: converged after 15 iterations. - iteration 127: trace = 6.728711818234581 (8.33477e-08% change) - linmin: converged after 3 iterations. - iteration 128: trace = 6.728711815038084 (4.75053e-08% change) + iteration 8: trace = 6.724400814202056 (0.047983% change) linmin: converged after 4 iterations. - iteration 129: trace = 6.728711812692525 (3.4859e-08% change) - large trace change predicted (8.41082e-08%) - linmin: converged after 7 iterations. - iteration 130: trace = 6.728711807033185 (8.41073e-08% change) - large trace change predicted (2.27277e-07%) - linmin: converged after 10 iterations. - iteration 131: trace = 6.728711791741209 (2.27265e-07% change) - linmin: converged after 5 iterations. - iteration 132: trace = 6.728711775495807 (2.41434e-07% change) - linmin: converged after 25 iterations. - iteration 133: trace = 6.728711762219022 (1.97315e-07% change) - linmin: converged after 6 iterations. - iteration 134: trace = 6.728711751589044 (1.57979e-07% change) - large trace change predicted (4.56093e-07%) - linmin: converged after 5 iterations. - iteration 135: trace = 6.72871172090052 (4.56083e-07% change) - large trace change predicted (9.31706e-07%) - linmin: converged after 2 iterations. - iteration 136: trace = 6.728711658205238 (9.31758e-07% change) - large trace change predicted (2.00472e-06%) + iteration 9: trace = 6.723057781958997 (0.0199745% change) linmin: converged after 4 iterations. - iteration 137: trace = 6.728711523280785 (2.0052e-06% change) - near maximum in trace - linmin: converged after 16 iterations. - iteration 138: trace = 6.728496963236752 (0.00318877% change) - linmin: converged after 5 iterations. - iteration 139: trace = 6.72849605229283 (1.35386e-05% change) - resetting CG direction... - large trace change predicted (0.0179181%) + iteration 10: trace = 6.722226095982759 (0.0123714% change) linmin: converged after 3 iterations. - iteration 140: trace = 6.72729169319085 (0.017901% change) + iteration 11: trace = 6.721150748249435 (0.0159982% change) linmin: converged after 4 iterations. - iteration 141: trace = 6.726483360322989 (0.0120164% change) + iteration 12: trace = 6.719915175476515 (0.018385% change) linmin: converged after 4 iterations. - iteration 142: trace = 6.725829893003075 (0.00971532% change) - linmin: converged after 5 iterations. - iteration 143: trace = 6.72493366907636 (0.013326% change) - linmin: converged after 5 iterations. - iteration 144: trace = 6.724434967696377 (0.00741598% change) - large trace change predicted (0.0162821%) - linmin: converged after 3 iterations. - iteration 145: trace = 6.723335551737554 (0.0163509% change) + iteration 13: trace = 6.71783977133888 (0.0308891% change) linmin: converged after 3 iterations. - iteration 146: trace = 6.721936913540786 (0.0208049% change) - linmin: converged after 3 iterations. - iteration 147: trace = 6.720860007019335 (0.0160221% change) - linmin: converged after 4 iterations. - iteration 148: trace = 6.720516129114879 (0.00511671% change) + iteration 14: trace = 6.716318102925833 (0.0226537% change) linmin: converged after 3 iterations. - iteration 149: trace = 6.72005961410648 (0.00679309% change) + iteration 15: trace = 6.71555918761428 (0.0113002% change) + linmin: converged after 6 iterations. + iteration 16: trace = 6.715219173735848 (0.0050632% change) linmin: converged after 3 iterations. - iteration 150: trace = 6.719567695781137 (0.00732042% change) - linmin: converged after 4 iterations. - iteration 151: trace = 6.719097667685411 (0.00699516% change) - linmin: converged after 4 iterations. - iteration 152: trace = 6.718389091966365 (0.0105463% change) - linmin: converged after 4 iterations. - iteration 153: trace = 6.717747685615805 (0.00954748% change) + iteration 17: trace = 6.714976604264946 (0.0036123% change) linmin: converged after 4 iterations. - iteration 154: trace = 6.717003451646676 (0.0110792% change) - linmin: converged after 4 iterations. - iteration 155: trace = 6.716649535030269 (0.0052691% change) - large trace change predicted (0.0112011%) - linmin: converged after 4 iterations. - iteration 156: trace = 6.715900341724358 (0.0111549% change) - linmin: converged after 4 iterations. - iteration 157: trace = 6.715057636495906 (0.0125487% change) + iteration 18: trace = 6.714753832256529 (0.00331759% change) linmin: converged after 3 iterations. - iteration 158: trace = 6.714368047421658 (0.0102698% change) - large trace change predicted (0.0232645%) - linmin: converged after 4 iterations. - iteration 159: trace = 6.712809993748582 (0.0232075% change) - linmin: converged after 5 iterations. - iteration 160: trace = 6.710891996861516 (0.0285763% change) - linmin: converged after 4 iterations. - iteration 161: trace = 6.708745816543308 (0.0319857% change) - linmin: converged after 4 iterations. - iteration 162: trace = 6.70758660581581 (0.0172806% change) - linmin: converged after 4 iterations. - iteration 163: trace = 6.705379527826505 (0.0329096% change) - linmin: converged after 4 iterations. - iteration 164: trace = 6.703497346238292 (0.0280737% change) - linmin: converged after 4 iterations. - iteration 165: trace = 6.700595878303398 (0.0432923% change) - linmin: converged after 9 iterations. - iteration 166: trace = 6.696527313068026 (0.0607379% change) - linmin: converged after 5 iterations. - iteration 167: trace = 6.69268119447419 (0.057451% change) - linmin: converged after 7 iterations. - iteration 168: trace = 6.688677049552969 (0.0598466% change) + iteration 19: trace = 6.71451048446961 (0.00362414% change) + linmin: converged after 18 iterations. + iteration 20: trace = 6.714288642348862 (0.00330398% change) linmin: converged after 3 iterations. - iteration 169: trace = 6.686942732733815 (0.0259325% change) + iteration 21: trace = 6.714030555690801 (0.00384392% change) linmin: converged after 3 iterations. - iteration 170: trace = 6.685518855776348 (0.0212957% change) + iteration 22: trace = 6.713898198347265 (0.00197137% change) linmin: converged after 3 iterations. - iteration 171: trace = 6.684005705162724 (0.0226358% change) + iteration 23: trace = 6.713843319275894 (0.000817398% change) linmin: converged after 3 iterations. - iteration 172: trace = 6.683055585550433 (0.0142158% change) - linmin: converged after 4 iterations. - iteration 173: trace = 6.682077250719044 (0.0146401% change) - linmin: converged after 4 iterations. - iteration 174: trace = 6.680706089298033 (0.0205221% change) + iteration 24: trace = 6.713775948939313 (0.00100346% change) linmin: converged after 4 iterations. - iteration 175: trace = 6.679288876253398 (0.0212158% change) - linmin: converged after 4 iterations. - iteration 176: trace = 6.67769860474827 (0.0238118% change) - linmin: converged after 4 iterations. - iteration 177: trace = 6.675983319281102 (0.0256901% change) - linmin: converged after 4 iterations. - iteration 178: trace = 6.674070448935363 (0.0286571% change) - linmin: converged after 5 iterations. - iteration 179: trace = 6.671905339047649 (0.0324459% change) - linmin: converged after 4 iterations. - iteration 180: trace = 6.670433407164131 (0.0220641% change) - linmin: converged after 4 iterations. - iteration 181: trace = 6.669409020171365 (0.0153583% change) - linmin: converged after 4 iterations. - iteration 182: trace = 6.668180561876174 (0.018421% change) - linmin: converged after 4 iterations. - iteration 183: trace = 6.667087337699036 (0.016396% change) - linmin: converged after 4 iterations. - iteration 184: trace = 6.666481287171367 (0.0090906% change) - linmin: converged after 4 iterations. - iteration 185: trace = 6.665969009287798 (0.00768468% change) - linmin: converged after 4 iterations. - iteration 186: trace = 6.665376381456404 (0.00889074% change) - linmin: converged after 3 iterations. - iteration 187: trace = 6.664850263268718 (0.00789361% change) + iteration 25: trace = 6.7136700136088 (0.00157789% change) linmin: converged after 3 iterations. - iteration 188: trace = 6.664377217486245 (0.00709787% change) - linmin: converged after 4 iterations. - iteration 189: trace = 6.663879358752522 (0.00747073% change) - linmin: converged after 5 iterations. - iteration 190: trace = 6.663329858957248 (0.00824628% change) - linmin: converged after 4 iterations. - iteration 191: trace = 6.662526578960382 (0.012056% change) - linmin: converged after 4 iterations. - iteration 192: trace = 6.661487939743962 (0.0155905% change) + iteration 26: trace = 6.713565279382877 (0.00156003% change) linmin: converged after 4 iterations. - iteration 193: trace = 6.660741482372119 (0.0112062% change) + iteration 27: trace = 6.713410706802915 (0.00230242% change) linmin: converged after 4 iterations. - iteration 194: trace = 6.660214767360173 (0.00790807% change) + iteration 28: trace = 6.713309598248618 (0.00150608% change) linmin: converged after 4 iterations. - iteration 195: trace = 6.65959843248577 (0.00925441% change) + iteration 29: trace = 6.713247533926848 (0.000924501% change) linmin: converged after 3 iterations. - iteration 196: trace = 6.659013590820788 (0.00878232% change) + iteration 30: trace = 6.713216260578999 (0.000465846% change) + linmin: converged after 10 iterations. + iteration 31: trace = 6.713174328496476 (0.000624622% change) linmin: converged after 3 iterations. - iteration 197: trace = 6.658670540881428 (0.0051518% change) + iteration 32: trace = 6.713118261496955 (0.000835182% change) + linmin: converged after 7 iterations. + iteration 33: trace = 6.713077648111018 (0.000604987% change) linmin: converged after 3 iterations. - iteration 198: trace = 6.65841493196519 (0.00383881% change) + iteration 34: trace = 6.712997182518453 (0.00119865% change) linmin: converged after 3 iterations. - iteration 199: trace = 6.658130065745863 (0.00427838% change) + iteration 35: trace = 6.712935640302991 (0.000916766% change) linmin: converged after 3 iterations. - iteration 200: trace = 6.657842009810334 (0.00432647% change) - linmin: converged after 4 iterations. - iteration 201: trace = 6.657556259711143 (0.00429202% change) + iteration 36: trace = 6.712904482589956 (0.000464145% change) linmin: converged after 3 iterations. - iteration 202: trace = 6.657216709973985 (0.00510035% change) - linmin: converged after 4 iterations. - iteration 203: trace = 6.656852095998891 (0.00547712% change) + iteration 37: trace = 6.712891153147632 (0.000198565% change) linmin: converged after 3 iterations. - iteration 204: trace = 6.656459058615156 (0.00590443% change) + iteration 38: trace = 6.712864753685766 (0.000393266% change) + linmin: converged after 6 iterations. + iteration 39: trace = 6.712820553515634 (0.000658442% change) linmin: converged after 4 iterations. - iteration 205: trace = 6.655958827168101 (0.00751526% change) - linmin: converged after 3 iterations. - iteration 206: trace = 6.655516807588693 (0.00664118% change) + iteration 40: trace = 6.712804146088487 (0.00024442% change) linmin: converged after 3 iterations. - iteration 207: trace = 6.655239798139959 (0.00416219% change) + iteration 41: trace = 6.71278199020567 (0.000330055% change) linmin: converged after 3 iterations. - iteration 208: trace = 6.654966209363305 (0.00411096% change) + iteration 42: trace = 6.712765232155917 (0.000249644% change) linmin: converged after 3 iterations. - iteration 209: trace = 6.654615756002599 (0.00526618% change) - resetting CG direction... + iteration 43: trace = 6.712750468479191 (0.000219935% change) + linmin: converged after 6 iterations. + iteration 44: trace = 6.712743899683093 (9.78556e-05% change) + large trace change predicted (0.000210214%) linmin: converged after 3 iterations. - iteration 210: trace = 6.653979604991168 (0.00956% change) + iteration 45: trace = 6.712729791171579 (0.000210175% change) linmin: converged after 4 iterations. - iteration 211: trace = 6.653218593654713 (0.0114376% change) - linmin: converged after 4 iterations. - iteration 212: trace = 6.652201431611209 (0.0152894% change) - linmin: converged after 4 iterations. - iteration 213: trace = 6.65147749573334 (0.0108832% change) - linmin: converged after 3 iterations. - iteration 214: trace = 6.650964114119063 (0.00771861% change) - large trace change predicted (0.0193546%) - linmin: converged after 3 iterations. - iteration 215: trace = 6.649666222529873 (0.0195162% change) + iteration 46: trace = 6.712710061493759 (0.000293915% change) linmin: converged after 3 iterations. - iteration 216: trace = 6.64868042765127 (0.0148258% change) + iteration 47: trace = 6.712693828058871 (0.000241832% change) linmin: converged after 3 iterations. - iteration 217: trace = 6.648057836496214 (0.00936457% change) + iteration 48: trace = 6.712681547917509 (0.000182939% change) linmin: converged after 3 iterations. - iteration 218: trace = 6.647743680490572 (0.00472564% change) + iteration 49: trace = 6.712671185382653 (0.000154373% change) linmin: converged after 3 iterations. - iteration 219: trace = 6.647208628992315 (0.00804894% change) + iteration 50: trace = 6.712662999747372 (0.000121943% change) linmin: converged after 3 iterations. - iteration 220: trace = 6.646298117029749 (0.0136986% change) + iteration 51: trace = 6.712654901798312 (0.000120637% change) + large trace change predicted (0.000363682%) linmin: converged after 3 iterations. - iteration 221: trace = 6.645599180900577 (0.0105167% change) - linmin: converged after 3 iterations. - iteration 222: trace = 6.644595576685413 (0.0151029% change) - linmin: converged after 3 iterations. - iteration 223: trace = 6.644097086546495 (0.00750247% change) - linmin: converged after 3 iterations. - iteration 224: trace = 6.643772772082394 (0.00488136% change) - linmin: converged after 4 iterations. - iteration 225: trace = 6.643495814646651 (0.00416876% change) - large trace change predicted (0.0106768%) + iteration 52: trace = 6.712630452523355 (0.000364227% change) linmin: converged after 4 iterations. - iteration 226: trace = 6.642785205699263 (0.0106969% change) - linmin: converged after 4 iterations. - iteration 227: trace = 6.642287015948828 (0.00749999% change) - linmin: converged after 5 iterations. - iteration 228: trace = 6.64174583793026 (0.0081478% change) - linmin: converged after 4 iterations. - iteration 229: trace = 6.641208328703908 (0.00809322% change) - linmin: converged after 4 iterations. - iteration 230: trace = 6.640747751722186 (0.00693538% change) - linmin: converged after 4 iterations. - iteration 231: trace = 6.640529350610269 (0.00328886% change) - linmin: converged after 4 iterations. - iteration 232: trace = 6.640209002378969 (0.00482425% change) - linmin: converged after 4 iterations. - iteration 233: trace = 6.639843694588195 (0.0055016% change) - linmin: converged after 5 iterations. - iteration 234: trace = 6.639595338447476 (0.00374046% change) - linmin: converged after 4 iterations. - iteration 235: trace = 6.639337712689807 (0.00388022% change) - linmin: converged after 4 iterations. - iteration 236: trace = 6.639222719883426 (0.00173201% change) + iteration 53: trace = 6.712611884467362 (0.000276614% change) linmin: converged after 3 iterations. - iteration 237: trace = 6.639165809398814 (0.00085719% change) + iteration 54: trace = 6.712597032932479 (0.000221248% change) linmin: converged after 3 iterations. - iteration 238: trace = 6.639089694226782 (0.00114646% change) + iteration 55: trace = 6.712589956959372 (0.000105413% change) linmin: converged after 4 iterations. - iteration 239: trace = 6.639015513604635 (0.00111734% change) - linmin: converged after 4 iterations. - iteration 240: trace = 6.638972352133721 (0.000650121% change) - linmin: converged after 7 iterations. - iteration 241: trace = 6.638902462342726 (0.00105273% change) + iteration 56: trace = 6.712582730446751 (0.000107656% change) linmin: converged after 5 iterations. - iteration 242: trace = 6.638846994028447 (0.000835508% change) - linmin: converged after 7 iterations. - iteration 243: trace = 6.638819500466276 (0.000414132% change) + iteration 57: trace = 6.712575437365283 (0.000108648% change) linmin: converged after 3 iterations. - iteration 244: trace = 6.63880608064523 (0.000202142% change) + iteration 58: trace = 6.71256802817435 (0.000110378% change) + linmin: converged after 5 iterations. + iteration 59: trace = 6.71255950306335 (0.000127002% change) linmin: converged after 3 iterations. - iteration 245: trace = 6.638792717858658 (0.000201283% change) + iteration 60: trace = 6.712554795569012 (7.01297e-05% change) linmin: converged after 4 iterations. - iteration 246: trace = 6.638786869744692 (8.80901e-05% change) - large trace change predicted (0.000180012%) - linmin: converged after 3 iterations. - iteration 247: trace = 6.638774923260716 (0.00017995% change) - linmin: converged after 3 iterations. - iteration 248: trace = 6.638764420528742 (0.000158203% change) + iteration 61: trace = 6.712552261582852 (3.775e-05% change) + linmin: converged after 2 iterations. + iteration 62: trace = 6.712550556504642 (2.54013e-05% change) linmin: converged after 3 iterations. - iteration 249: trace = 6.638757353489586 (0.000106451% change) - linmin: converged after 4 iterations. - iteration 250: trace = 6.638753655777196 (5.56989e-05% change) + iteration 63: trace = 6.71254881808285 (2.58981e-05% change) linmin: converged after 3 iterations. - iteration 251: trace = 6.638749452632469 (6.33123e-05% change) - linmin: converged after 4 iterations. - iteration 252: trace = 6.63874762843966 (2.7478e-05% change) - linmin: converged after 5 iterations. - iteration 253: trace = 6.638745770381474 (2.79881e-05% change) - linmin: converged after 4 iterations. - iteration 254: trace = 6.638743654139198 (3.18771e-05% change) - linmin: converged after 4 iterations. - iteration 255: trace = 6.638741350734973 (3.46964e-05% change) - linmin: converged after 4 iterations. - iteration 256: trace = 6.638739804709138 (2.32879e-05% change) + iteration 64: trace = 6.71254773585007 (1.61225e-05% change) + large trace change predicted (4.4606e-05%) linmin: converged after 5 iterations. - iteration 257: trace = 6.638738669251487 (1.71035e-05% change) + iteration 65: trace = 6.712544741762915 (4.46043e-05% change) linmin: converged after 5 iterations. - iteration 258: trace = 6.638737995315019 (1.01516e-05% change) - linmin: converged after 6 iterations. - iteration 259: trace = 6.63873760814984 (5.83191e-06% change) + iteration 66: trace = 6.712542558580637 (3.25239e-05% change) linmin: converged after 4 iterations. - iteration 260: trace = 6.638736975731822 (9.52618e-06% change) + iteration 67: trace = 6.71254171124564 (1.26232e-05% change) linmin: converged after 3 iterations. - iteration 261: trace = 6.638736294176336 (1.02663e-05% change) - linmin: converged after 5 iterations. - iteration 262: trace = 6.638735839151034 (6.8541e-06% change) - linmin: converged after 5 iterations. - iteration 263: trace = 6.638735345491657 (7.43605e-06% change) - linmin: converged after 3 iterations. - iteration 264: trace = 6.638735094546482 (3.78001e-06% change) - linmin: converged after 20 iterations. - iteration 265: trace = 6.638734983224069 (1.67686e-06% change) - linmin: converged after 5 iterations. - iteration 266: trace = 6.638734801873257 (2.73171e-06% change) - linmin: converged after 4 iterations. - iteration 267: trace = 6.638734654017373 (2.22717e-06% change) - linmin: converged after 5 iterations. - iteration 268: trace = 6.638734484498977 (2.55347e-06% change) - linmin: converged after 7 iterations. - iteration 269: trace = 6.638734332130647 (2.29514e-06% change) - linmin: converged after 7 iterations. - iteration 270: trace = 6.63873420457886 (1.92133e-06% change) + iteration 68: trace = 6.712541280550822 (6.41627e-06% change) + linmin: converged after 2 iterations. + iteration 69: trace = 6.712540599471623 (1.01464e-05% change) + resetting CG direction... + linmin: converged after 2 iterations. + iteration 70: trace = 6.712540293550496 (4.55746e-06% change) + linmin: converged after 2 iterations. + iteration 71: trace = 6.71254008731092 (3.07245e-06% change) + linmin: converged after 13 iterations. + iteration 72: trace = 6.712539686136953 (5.97649e-06% change) linmin: converged after 4 iterations. - iteration 271: trace = 6.638734170222909 (5.17508e-07% change) - linmin: converged after 7 iterations. - iteration 272: trace = 6.638734116756808 (8.05366e-07% change) - linmin: converged after 5 iterations. - iteration 273: trace = 6.638734058698566 (8.74538e-07% change) + iteration 73: trace = 6.712538962590028 (1.0779e-05% change) linmin: converged after 5 iterations. - iteration 274: trace = 6.63873399546925 (9.5243e-07% change) + iteration 74: trace = 6.71253812573112 (1.24671e-05% change) + linmin: converged after 2 iterations. + iteration 75: trace = 6.712537797565266 (4.88885e-06% change) linmin: converged after 4 iterations. - iteration 275: trace = 6.638733932248243 (9.52305e-07% change) - linmin: converged after 5 iterations. - iteration 276: trace = 6.638733852553821 (1.20045e-06% change) + iteration 76: trace = 6.71253717766039 (9.23503e-06% change) + linmin: converged after 2 iterations. + iteration 77: trace = 6.712536283868562 (1.33153e-05% change) linmin: converged after 4 iterations. - iteration 277: trace = 6.63873382391973 (4.31319e-07% change) + iteration 78: trace = 6.712535143637624 (1.69866e-05% change) + linmin: converged after 3 iterations. + iteration 79: trace = 6.712533402784252 (2.59344e-05% change) + linmin: converged after 3 iterations. + iteration 80: trace = 6.712530550922429 (4.24856e-05% change) + large trace change predicted (8.61896e-05%) linmin: converged after 5 iterations. - iteration 278: trace = 6.638733792293237 (4.76393e-07% change) + iteration 81: trace = 6.712524764459028 (8.62039e-05% change) + linmin: converged after 3 iterations. + iteration 82: trace = 6.712521857389259 (4.33082e-05% change) + large trace change predicted (0.000104169%) linmin: converged after 5 iterations. - iteration 279: trace = 6.638733763512676 (4.33525e-07% change) - resetting CG direction... - linmin: converged after 16 iterations. - iteration 280: trace = 6.638733752107141 (1.71803e-07% change) + iteration 83: trace = 6.712514863467415 (0.000104192% change) + large trace change predicted (0.000214303%) + linmin: converged after 19 iterations. + iteration 84: trace = 6.712500489577137 (0.000214136% change) + large trace change predicted (0.00138741%) linmin: converged after 4 iterations. - iteration 281: trace = 6.63873373936176 (1.91985e-07% change) - linmin: converged after 5 iterations. - iteration 282: trace = 6.638733721252703 (2.72779e-07% change) + iteration 85: trace = 6.712408808144916 (0.00136584% change) + near maximum in trace + linmin: converged after 6 iterations. + iteration 86: trace = 6.711601776371732 (0.0120237% change) + linmin: converged after 6 iterations. + iteration 87: trace = 6.711500412127066 (0.0015103% change) linmin: converged after 4 iterations. - iteration 283: trace = 6.638733697470379 (3.58236e-07% change) + iteration 88: trace = 6.711421218268214 (0.00117998% change) linmin: converged after 4 iterations. - iteration 284: trace = 6.638733685366086 (1.82328e-07% change) + iteration 89: trace = 6.711355519375068 (0.000978917% change) linmin: converged after 4 iterations. - iteration 285: trace = 6.638733662926075 (3.38016e-07% change) + iteration 90: trace = 6.711298857850966 (0.000844267% change) linmin: converged after 4 iterations. - iteration 286: trace = 6.638733649275423 (2.05621e-07% change) - linmin: converged after 5 iterations. - iteration 287: trace = 6.638733639159769 (1.52373e-07% change) + iteration 91: trace = 6.711248615828905 (0.000748621% change) linmin: converged after 4 iterations. - iteration 288: trace = 6.638733628871877 (1.54968e-07% change) - large trace change predicted (3.97332e-07%) - linmin: converged after 5 iterations. - iteration 289: trace = 6.638733602494101 (3.97331e-07% change) - linmin: converged after 8 iterations. - iteration 290: trace = 6.638733579895577 (3.40404e-07% change) + iteration 92: trace = 6.711203076972177 (0.000678548% change) linmin: converged after 4 iterations. - iteration 291: trace = 6.63873356599051 (2.09454e-07% change) - linmin: converged after 7 iterations. - iteration 292: trace = 6.638733550713064 (2.30126e-07% change) + iteration 93: trace = 6.71116102339968 (0.000626619% change) linmin: converged after 4 iterations. - iteration 293: trace = 6.638733543728417 (1.05211e-07% change) + iteration 94: trace = 6.711121546384808 (0.000588231% change) linmin: converged after 4 iterations. - iteration 294: trace = 6.638733537913732 (8.75873e-08% change) - linmin: converged after 14 iterations. - iteration 295: trace = 6.638733531219156 (1.00841e-07% change) - large trace change predicted (2.23511e-07%) - linmin: converged after 10 iterations. - iteration 296: trace = 6.638733516381063 (2.23508e-07% change) + iteration 95: trace = 6.711083951127243 (0.000560195% change) linmin: converged after 4 iterations. - iteration 297: trace = 6.638733504961065 (1.72021e-07% change) - linmin: converged after 13 iterations. - iteration 298: trace = 6.638733499170597 (8.72225e-08% change) - linmin: converged after 6 iterations. - iteration 299: trace = 6.638733494745578 (6.66546e-08% change) + iteration 96: trace = 6.711047706072382 (0.000540079% change) linmin: converged after 4 iterations. - iteration 300: trace = 6.63873349025442 (6.76508e-08% change) + iteration 97: trace = 6.711012414109267 (0.00052588% change) linmin: converged after 4 iterations. - iteration 301: trace = 6.638733483199136 (1.06275e-07% change) + iteration 98: trace = 6.710977794092102 (0.00051587% change) linmin: converged after 6 iterations. - iteration 302: trace = 6.638733477349042 (8.81206e-08% change) - linmin: converged after 4 iterations. - iteration 303: trace = 6.638733471926166 (8.16854e-08% change) + iteration 99: trace = 6.710943666069007 (0.000508542% change) linmin: converged after 4 iterations. - iteration 304: trace = 6.638733468406597 (5.30157e-08% change) - linmin: converged after 4 iterations. - iteration 305: trace = 6.638733466630242 (2.67574e-08% change) - linmin: converged after 13 iterations. - iteration 306: trace = 6.638733465585219 (1.57413e-08% change) + iteration 100: trace = 6.710909936148894 (0.000502612% change) linmin: converged after 5 iterations. - iteration 307: trace = 6.638733463666293 (2.8905e-08% change) - linmin: converged after 4 iterations. - iteration 308: trace = 6.638733461560223 (3.1724e-08% change) - linmin: converged after 4 iterations. - iteration 309: trace = 6.638733460353873 (1.81714e-08% change) - linmin: converged after 7 iterations. - iteration 310: trace = 6.638733459372367 (1.47845e-08% change) - linmin: converged after 7 iterations. - iteration 311: trace = 6.638733458546906 (1.2434e-08% change) + iteration 101: trace = 6.710876578729982 (0.000497064% change) + linmin: converged after 3 iterations. + iteration 102: trace = 6.710843615490361 (0.000491192% change) linmin: converged after 4 iterations. - iteration 312: trace = 6.638733458034511 (7.71826e-09% change) + iteration 103: trace = 6.710811092142429 (0.00048464% change) linmin: converged after 7 iterations. - iteration 313: trace = 6.638733457621008 (6.22864e-09% change) - linmin: converged after 15 iterations. - iteration 314: trace = 6.638733457335751 (4.29686e-09% change) - large trace change predicted (1.06967e-08%) - linmin: converged after 5 iterations. - iteration 315: trace = 6.638733456625658 (1.06962e-08% change) + iteration 104: trace = 6.7107790551896 (0.000477394% change) linmin: converged after 6 iterations. - iteration 316: trace = 6.638733456304072 (4.84408e-09% change) - linmin: converged after 15 iterations. - iteration 317: trace = 6.638733456122004 (2.74251e-09% change) - linmin: converged after 3 iterations. - iteration 318: trace = 6.638733455993431 (1.93672e-09% change) - linmin: converged after 19 iterations. - iteration 319: trace = 6.638733455877123 (1.75196e-09% change) - linmin: converged after 13 iterations. - iteration 320: trace = 6.638733455803544 (1.10832e-09% change) - linmin: converged after 12 iterations. - iteration 321: trace = 6.638733455753677 (7.51162e-10% change) - linmin: converged after 21 iterations. - iteration 322: trace = 6.638733455681622 (1.08536e-09% change) - linmin: converged after 18 iterations. - iteration 323: trace = 6.638733455613798 (1.02165e-09% change) + iteration 105: trace = 6.71074753143811 (0.000469749% change) linmin: converged after 4 iterations. - iteration 324: trace = 6.638733455575554 (5.76061e-10% change) - linmin: converged after 9 iterations. - iteration 325: trace = 6.638733455551931 (3.55848e-10% change) + iteration 106: trace = 6.710716512654129 (0.000462227% change) + linmin: converged after 6 iterations. + iteration 107: trace = 6.710685946744158 (0.00045548% change) linmin: converged after 4 iterations. - iteration 326: trace = 6.638733455530565 (3.21839e-10% change) - linmin: converged after 9 iterations. - iteration 327: trace = 6.638733455520651 (1.49333e-10% change) - linmin: converged after 10 iterations. - iteration 328: trace = 6.638733455508835 (1.77977e-10% change) - linmin: converged after 2 iterations. - iteration 329: trace = 6.638733455498822 (1.50832e-10% change) + iteration 108: trace = 6.710655735446464 (0.000450198% change) linmin: converged after 4 iterations. - iteration 330: trace = 6.638733455486697 (1.82646e-10% change) - linmin: converged after 6 iterations. - iteration 331: trace = 6.638733455483321 (5.08526e-11% change) -Finished solving for bands 1 to 8 after 331 iterations. -tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.407624, 0.596325, 0.643243, 0.739976, 1.03397, 1.05588, 1.19281, 1.24454 -elapsed time for k point: 5.473623991012573 -solve_kpoint (0.5,0.5,0): -Solving for bands 1 to 8... + iteration 109: trace = 6.710625737662448 (0.000447018% change) linmin: converged after 4 iterations. - iteration 1: trace = 6.6260576237697 (0.100232% change) + iteration 110: trace = 6.7105957767667 (0.00044647% change) linmin: converged after 4 iterations. - iteration 2: trace = 6.622613136247769 (0.0519975% change) + iteration 111: trace = 6.710565650467954 (0.000448937% change) linmin: converged after 3 iterations. - iteration 3: trace = 6.620673751098646 (0.0292886% change) + iteration 112: trace = 6.71053514193196 (0.000454635% change) linmin: converged after 3 iterations. - iteration 4: trace = 6.619597693969425 (0.0162543% change) + iteration 113: trace = 6.710504031363279 (0.000463609% change) linmin: converged after 3 iterations. - iteration 5: trace = 6.618315103587323 (0.0193775% change) + iteration 114: trace = 6.710472107482897 (0.000475731% change) linmin: converged after 3 iterations. - iteration 6: trace = 6.617219281266017 (0.0165588% change) - linmin: converged after 4 iterations. - iteration 7: trace = 6.615295857082153 (0.0290712% change) + iteration 115: trace = 6.710439178398817 (0.000490713% change) linmin: converged after 3 iterations. - iteration 8: trace = 6.614179476934057 (0.0168772% change) + iteration 116: trace = 6.710405081237342 (0.000508122% change) linmin: converged after 3 iterations. - iteration 9: trace = 6.613750797099966 (0.00648143% change) - linmin: converged after 4 iterations. - iteration 10: trace = 6.613492239262217 (0.00390947% change) + iteration 117: trace = 6.71036968969629 (0.000527414% change) + linmin: converged after 3 iterations. + iteration 118: trace = 6.710332918548732 (0.000547976% change) + linmin: converged after 3 iterations. + iteration 119: trace = 6.710294724203931 (0.000569189% change) linmin: converged after 8 iterations. - iteration 11: trace = 6.613099998232477 (0.0059311% change) - linmin: converged after 4 iterations. - iteration 12: trace = 6.612508450138579 (0.0089455% change) + iteration 120: trace = 6.710255100798198 (0.000590489% change) + linmin: converged after 11 iterations. + iteration 121: trace = 6.710214071956348 (0.000611437% change) linmin: converged after 3 iterations. - iteration 13: trace = 6.611911614851758 (0.00902626% change) - linmin: converged after 4 iterations. - iteration 14: trace = 6.61162197986756 (0.0043806% change) - linmin: converged after 14 iterations. - iteration 15: trace = 6.611528800444471 (0.00140934% change) + iteration 122: trace = 6.710171678950965 (0.00063177% change) + linmin: converged after 5 iterations. + iteration 123: trace = 6.710127967134641 (0.000651428% change) + linmin: converged after 9 iterations. + iteration 124: trace = 6.710082972770982 (0.000670546% change) + linmin: converged after 8 iterations. + iteration 125: trace = 6.710036712226236 (0.000689421% change) + linmin: converged after 11 iterations. + iteration 126: trace = 6.709989175547554 (0.000708444% change) + linmin: converged after 3 iterations. + iteration 127: trace = 6.709940326399733 (0.000728009% change) linmin: converged after 11 iterations. - iteration 16: trace = 6.611478383867063 (0.000762558% change) + iteration 128: trace = 6.709890108101522 (0.000748419% change) + linmin: converged after 3 iterations. + iteration 129: trace = 6.709838456706405 (0.000769783% change) + linmin: converged after 15 iterations. + iteration 130: trace = 6.709785318646489 (0.000791946% change) + linmin: converged after 3 iterations. + iteration 131: trace = 6.709730673314772 (0.000814416% change) linmin: converged after 3 iterations. - iteration 17: trace = 6.611426401522207 (0.000786247% change) + iteration 132: trace = 6.709674555504499 (0.000836368% change) linmin: converged after 3 iterations. - iteration 18: trace = 6.611356799706302 (0.00105276% change) + iteration 133: trace = 6.70961707928217 (0.000856621% change) + linmin: converged after 7 iterations. + iteration 134: trace = 6.709558453731176 (0.000873758% change) + linmin: converged after 4 iterations. + iteration 135: trace = 6.709498991131377 (0.000886241% change) linmin: converged after 3 iterations. - iteration 19: trace = 6.611309374215812 (0.000717336% change) + iteration 136: trace = 6.709439098829815 (0.000892653% change) + linmin: converged after 4 iterations. + iteration 137: trace = 6.709379260848812 (0.000891852% change) linmin: converged after 3 iterations. - iteration 20: trace = 6.611236278071851 (0.00110563% change) + iteration 138: trace = 6.709319999219049 (0.000883269% change) linmin: converged after 3 iterations. - iteration 21: trace = 6.61118424056561 (0.00078711% change) + iteration 139: trace = 6.709261827629334 (0.00086703% change) + resetting CG direction... + large trace change predicted (0.134752%) linmin: converged after 3 iterations. - iteration 22: trace = 6.611157392516317 (0.000406101% change) + iteration 140: trace = 6.700122589113559 (0.136311% change) linmin: converged after 4 iterations. - iteration 23: trace = 6.611149765657109 (0.000115364% change) + iteration 141: trace = 6.689851710539375 (0.153411% change) + linmin: converged after 4 iterations. + iteration 142: trace = 6.679159819730411 (0.15995% change) + linmin: converged after 3 iterations. + iteration 143: trace = 6.665361849179078 (0.206796% change) linmin: converged after 4 iterations. - iteration 24: trace = 6.611137418834302 (0.000186758% change) + iteration 144: trace = 6.64570579861915 (0.295334% change) linmin: converged after 4 iterations. - iteration 25: trace = 6.611117110368845 (0.000307186% change) + iteration 145: trace = 6.639944293690791 (0.0867328% change) + linmin: converged after 3 iterations. + iteration 146: trace = 6.635029011269618 (0.0740534% change) linmin: converged after 4 iterations. - iteration 26: trace = 6.611106889872412 (0.000154596% change) + iteration 147: trace = 6.631826362100597 (0.0482805% change) + linmin: converged after 3 iterations. + iteration 148: trace = 6.62873976170006 (0.0465531% change) + linmin: converged after 3 iterations. + iteration 149: trace = 6.627300499151598 (0.0217148% change) linmin: converged after 4 iterations. - iteration 27: trace = 6.611093350540525 (0.000204797% change) - linmin: converged after 5 iterations. - iteration 28: trace = 6.611088832478344 (6.83406e-05% change) + iteration 150: trace = 6.624529480269873 (0.0418209% change) linmin: converged after 4 iterations. - iteration 29: trace = 6.611086832035665 (3.02589e-05% change) + iteration 151: trace = 6.621982076790157 (0.0384615% change) linmin: converged after 4 iterations. - iteration 30: trace = 6.611085130062883 (2.57442e-05% change) + iteration 152: trace = 6.621262026901458 (0.0108742% change) linmin: converged after 4 iterations. - iteration 31: trace = 6.61108264676884 (3.75626e-05% change) + iteration 153: trace = 6.620586354185191 (0.0102051% change) linmin: converged after 3 iterations. - iteration 32: trace = 6.611078563945897 (6.17573e-05% change) + iteration 154: trace = 6.620127716587003 (0.00692769% change) linmin: converged after 3 iterations. - iteration 33: trace = 6.611077156727883 (2.12858e-05% change) + iteration 155: trace = 6.619294383280106 (0.0125887% change) linmin: converged after 3 iterations. - iteration 34: trace = 6.611075809350823 (2.03806e-05% change) + iteration 156: trace = 6.618595337552696 (0.0105613% change) + linmin: converged after 4 iterations. + iteration 157: trace = 6.617394558799166 (0.0181441% change) + linmin: converged after 4 iterations. + iteration 158: trace = 6.616842514691273 (0.00834267% change) + linmin: converged after 3 iterations. + iteration 159: trace = 6.616493036238981 (0.00528179% change) + linmin: converged after 3 iterations. + iteration 160: trace = 6.616185966097016 (0.00464109% change) + linmin: converged after 8 iterations. + iteration 161: trace = 6.615903154602769 (0.00427463% change) + linmin: converged after 4 iterations. + iteration 162: trace = 6.615366184015516 (0.00811669% change) + linmin: converged after 4 iterations. + iteration 163: trace = 6.614806439343904 (0.00846164% change) linmin: converged after 5 iterations. - iteration 35: trace = 6.611075193950397 (9.30863e-06% change) - linmin: converged after 2 iterations. - iteration 36: trace = 6.611074698908572 (7.48807e-06% change) - linmin: converged after 2 iterations. - iteration 37: trace = 6.611074407571144 (4.40681e-06% change) - large trace change predicted (9.33325e-06%) + iteration 164: trace = 6.61394949842953 (0.0129557% change) + linmin: converged after 4 iterations. + iteration 165: trace = 6.613678718109395 (0.00409416% change) + linmin: converged after 4 iterations. + iteration 166: trace = 6.613383981817908 (0.00445656% change) linmin: converged after 5 iterations. - iteration 38: trace = 6.611073790580959 (9.33268e-06% change) + iteration 167: trace = 6.613191215252654 (0.00291484% change) + linmin: converged after 4 iterations. + iteration 168: trace = 6.612991393707279 (0.00302161% change) + linmin: converged after 4 iterations. + iteration 169: trace = 6.612731983419371 (0.00392281% change) + linmin: converged after 4 iterations. + iteration 170: trace = 6.612262220067375 (0.00710417% change) linmin: converged after 3 iterations. - iteration 39: trace = 6.611073203395692 (8.88184e-06% change) - linmin: converged after 2 iterations. - iteration 40: trace = 6.611073052666175 (2.27996e-06% change) + iteration 171: trace = 6.612035400214171 (0.00343035% change) + linmin: converged after 4 iterations. + iteration 172: trace = 6.611791854676614 (0.00368343% change) linmin: converged after 3 iterations. - iteration 41: trace = 6.611072941982572 (1.67422e-06% change) + iteration 173: trace = 6.611711860053783 (0.00120989% change) linmin: converged after 3 iterations. - iteration 42: trace = 6.611072860997705 (1.22499e-06% change) - linmin: converged after 19 iterations. - iteration 43: trace = 6.611072808571613 (7.93004e-07% change) - linmin: converged after 2 iterations. - iteration 44: trace = 6.611072776009633 (4.92537e-07% change) + iteration 174: trace = 6.611608982935548 (0.001556% change) + linmin: converged after 4 iterations. + iteration 175: trace = 6.61152427398881 (0.00128122% change) + linmin: converged after 3 iterations. + iteration 176: trace = 6.611462900393279 (0.000928286% change) + linmin: converged after 6 iterations. + iteration 177: trace = 6.61137736912918 (0.00129369% change) + linmin: converged after 3 iterations. + iteration 178: trace = 6.611300318972326 (0.00116542% change) linmin: converged after 5 iterations. - iteration 45: trace = 6.611072738166845 (5.72415e-07% change) + iteration 179: trace = 6.611243386815891 (0.000861138% change) linmin: converged after 3 iterations. - iteration 46: trace = 6.61107269887773 (5.94293e-07% change) + iteration 180: trace = 6.611208427415492 (0.000528788% change) linmin: converged after 3 iterations. - iteration 47: trace = 6.611072683722457 (2.29241e-07% change) - linmin: converged after 20 iterations. - iteration 48: trace = 6.61107267223891 (1.73702e-07% change) + iteration 181: trace = 6.611195748149363 (0.000191785% change) + linmin: converged after 3 iterations. + iteration 182: trace = 6.61118605854974 (0.000146564% change) linmin: converged after 4 iterations. - iteration 49: trace = 6.611072662758527 (1.43402e-07% change) - linmin: converged after 2 iterations. - iteration 50: trace = 6.611072656973558 (8.75042e-08% change) + iteration 183: trace = 6.611174949121295 (0.00016804% change) linmin: converged after 14 iterations. - iteration 51: trace = 6.611072652140479 (7.31058e-08% change) + iteration 184: trace = 6.611165480499596 (0.000143222% change) + linmin: converged after 3 iterations. + iteration 185: trace = 6.611149323159871 (0.000244395% change) + linmin: converged after 8 iterations. + iteration 186: trace = 6.611139939922111 (0.000141931% change) + linmin: converged after 3 iterations. + iteration 187: trace = 6.611128035645132 (0.000180064% change) linmin: converged after 4 iterations. - iteration 52: trace = 6.611072646471644 (8.57476e-08% change) - linmin: converged after 25 iterations. - iteration 53: trace = 6.611072641170976 (8.01786e-08% change) + iteration 188: trace = 6.61112335838979 (7.07482e-05% change) + linmin: converged after 3 iterations. + iteration 189: trace = 6.611118925251423 (6.70558e-05% change) linmin: converged after 3 iterations. - iteration 54: trace = 6.611072640188722 (1.48577e-08% change) + iteration 190: trace = 6.611116387153656 (3.83914e-05% change) linmin: converged after 4 iterations. - iteration 55: trace = 6.611072639602137 (8.87277e-09% change) + iteration 191: trace = 6.611113414014162 (4.49718e-05% change) linmin: converged after 3 iterations. - iteration 56: trace = 6.611072639215618 (5.84653e-09% change) - linmin: converged after 23 iterations. - iteration 57: trace = 6.611072638759814 (6.89456e-09% change) - linmin: converged after 2 iterations. - iteration 58: trace = 6.611072638476969 (4.27835e-09% change) - linmin: converged after 20 iterations. - iteration 59: trace = 6.611072638036925 (6.65617e-09% change) - linmin: converged after 13 iterations. - iteration 60: trace = 6.611072637785957 (3.79618e-09% change) - linmin: converged after 16 iterations. - iteration 61: trace = 6.611072637654685 (1.98564e-09% change) - linmin: converged after 16 iterations. - iteration 62: trace = 6.611072637586027 (1.03853e-09% change) - linmin: converged after 6 iterations. - iteration 63: trace = 6.611072637534644 (7.77225e-10% change) + iteration 192: trace = 6.611110392299117 (4.57066e-05% change) + linmin: converged after 4 iterations. + iteration 193: trace = 6.611106857734241 (5.3464e-05% change) + linmin: converged after 4 iterations. + iteration 194: trace = 6.611103560535881 (4.98736e-05% change) + linmin: converged after 4 iterations. + iteration 195: trace = 6.611100523149107 (4.59437e-05% change) linmin: converged after 3 iterations. - iteration 64: trace = 6.61107263749526 (5.95722e-10% change) - linmin: converged after 18 iterations. - iteration 65: trace = 6.611072637473985 (3.21815e-10% change) - large trace change predicted (1.05833e-09%) - linmin: converged after 5 iterations. - iteration 66: trace = 6.611072637404018 (1.05833e-09% change) + iteration 196: trace = 6.611099210000463 (1.98628e-05% change) linmin: converged after 4 iterations. - iteration 67: trace = 6.611072637378244 (3.89848e-10% change) - linmin: converged after 6 iterations. - iteration 68: trace = 6.611072637366652 (1.7535e-10% change) + iteration 197: trace = 6.611097831273124 (2.08547e-05% change) + linmin: converged after 4 iterations. + iteration 198: trace = 6.611096738851218 (1.65241e-05% change) linmin: converged after 3 iterations. - iteration 69: trace = 6.611072637361769 (7.3864e-11% change) -Finished solving for bands 1 to 8 after 69 iterations. + iteration 199: trace = 6.611095317374442 (2.15014e-05% change) + large trace change predicted (4.44231e-05%) + linmin: converged after 3 iterations. + iteration 200: trace = 6.611092379643448 (4.44364e-05% change) + linmin: converged after 3 iterations. + iteration 201: trace = 6.611090862170717 (2.29534e-05% change) + linmin: converged after 5 iterations. + iteration 202: trace = 6.611088465481711 (3.62526e-05% change) + linmin: converged after 5 iterations. + iteration 203: trace = 6.611087311457112 (1.74559e-05% change) + linmin: converged after 5 iterations. + iteration 204: trace = 6.611086379771569 (1.40928e-05% change) + linmin: converged after 5 iterations. + switching to approximate line minimization (decrease time by 99.7333%) + iteration 205: trace = 6.611085616249208 (1.15491e-05% change) + iteration 206: trace = 6.611084855273235 (1.15106e-05% change) + iteration 207: trace = 6.611083840940902 (1.53429e-05% change) + iteration 208: trace = 6.61108233240316 (2.28183e-05% change) + iteration 209: trace = 6.611081347116194 (1.49036e-05% change) + resetting CG direction... + iteration 210: trace = 6.611080592442205 (1.14153e-05% change) + iteration 211: trace = 6.61108008653935 (7.65235e-06% change) + iteration 212: trace = 6.611079604397682 (7.29293e-06% change) + iteration 213: trace = 6.611079194123358 (6.20586e-06% change) + iteration 214: trace = 6.611078695734476 (7.53869e-06% change) + iteration 215: trace = 6.611077905817342 (1.19484e-05% change) + iteration 216: trace = 6.611076866515866 (1.57206e-05% change) + iteration 217: trace = 6.611076449417895 (6.30908e-06% change) + iteration 218: trace = 6.611076052436218 (6.0048e-06% change) + iteration 219: trace = 6.611075778533096 (4.14309e-06% change) + iteration 220: trace = 6.611075490669054 (4.35427e-06% change) + iteration 221: trace = 6.611075272480457 (3.30035e-06% change) + iteration 222: trace = 6.611074828781177 (6.71145e-06% change) + iteration 223: trace = 6.611074401538519 (6.46253e-06% change) + iteration 224: trace = 6.611074279537792 (1.8454e-06% change) + iteration 225: trace = 6.611074129901796 (2.26341e-06% change) + iteration 226: trace = 6.611074034769507 (1.43898e-06% change) + iteration 227: trace = 6.611073866713173 (2.54204e-06% change) + iteration 228: trace = 6.611073756545223 (1.66642e-06% change) + iteration 229: trace = 6.611073490990757 (4.01681e-06% change) + iteration 230: trace = 6.611073340688673 (2.27349e-06% change) + iteration 231: trace = 6.611073262209262 (1.18709e-06% change) + iteration 232: trace = 6.611073211018896 (7.74312e-07% change) + iteration 233: trace = 6.611073180488909 (4.61801e-07% change) + iteration 234: trace = 6.611073121774258 (8.88126e-07% change) + iteration 235: trace = 6.611073013400352 (1.63928e-06% change) + iteration 236: trace = 6.611072961857958 (7.79637e-07% change) + iteration 237: trace = 6.611072882838646 (1.19526e-06% change) + iteration 238: trace = 6.611072840787366 (6.36073e-07% change) + iteration 239: trace = 6.611072817579632 (3.51043e-07% change) + iteration 240: trace = 6.61107278914542 (4.301e-07% change) + iteration 241: trace = 6.611072752692522 (5.51392e-07% change) + iteration 242: trace = 6.611072711069655 (6.29593e-07% change) + iteration 243: trace = 6.611072695205688 (2.39961e-07% change) + iteration 244: trace = 6.611072677696709 (2.64843e-07% change) + iteration 245: trace = 6.611072670240251 (1.12787e-07% change) + iteration 246: trace = 6.611072665059965 (7.83577e-08% change) + iteration 247: trace = 6.611072660461383 (6.95588e-08% change) + iteration 248: trace = 6.611072654335556 (9.26601e-08% change) + iteration 249: trace = 6.611072646606997 (1.16903e-07% change) + iteration 250: trace = 6.611072644762749 (2.78964e-08% change) + iteration 251: trace = 6.611072643316428 (2.18773e-08% change) + iteration 252: trace = 6.611072642206793 (1.67845e-08% change) + iteration 253: trace = 6.611072641426004 (1.18103e-08% change) + iteration 254: trace = 6.611072640738943 (1.03926e-08% change) + iteration 255: trace = 6.611072639870786 (1.31319e-08% change) + iteration 256: trace = 6.611072638938849 (1.40966e-08% change) + iteration 257: trace = 6.61107263875108 (2.84022e-09% change) + iteration 258: trace = 6.611072638549558 (3.04824e-09% change) + iteration 259: trace = 6.611072638363506 (2.81425e-09% change) + iteration 260: trace = 6.611072638175217 (2.84809e-09% change) + iteration 261: trace = 6.611072637992264 (2.76738e-09% change) + iteration 262: trace = 6.611072637785971 (3.12041e-09% change) + iteration 263: trace = 6.611072637678602 (1.62407e-09% change) + iteration 264: trace = 6.611072637651422 (4.11142e-10% change) + iteration 265: trace = 6.611072637612962 (5.8175e-10% change) + iteration 266: trace = 6.611072637563369 (7.5014e-10% change) + iteration 267: trace = 6.611072637490718 (1.09893e-09% change) + iteration 268: trace = 6.611072637444986 (6.91753e-10% change) + iteration 269: trace = 6.611072637403808 (6.2286e-10% change) + iteration 270: trace = 6.611072637377499 (3.9795e-10% change) + iteration 271: trace = 6.611072637366277 (1.69748e-10% change) + iteration 272: trace = 6.611072637359619 (1.00707e-10% change) + iteration 273: trace = 6.611072637353441 (9.34518e-11% change) +Finished solving for bands 1 to 8 after 273 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: 1.0716099739074707 +elapsed time for k point: 11.078904867172241 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 6.69654845025137 (0.194448% change) + iteration 1: trace = 6.696549106642459 (0.194449% change) linmin: converged after 3 iterations. - iteration 2: trace = 6.689342465375486 (0.107665% change) + iteration 2: trace = 6.689342918602467 (0.107668% change) linmin: converged after 3 iterations. - iteration 3: trace = 6.684968588326884 (0.0654071% change) + iteration 3: trace = 6.684968944232049 (0.0654086% change) linmin: converged after 4 iterations. - iteration 4: trace = 6.682654417292113 (0.0346235% change) - linmin: converged after 3 iterations. - iteration 5: trace = 6.680578973283696 (0.031062% change) + iteration 4: trace = 6.682654715203959 (0.0346244% change) linmin: converged after 3 iterations. - iteration 6: trace = 6.677750731033851 (0.0423442% change) + iteration 5: trace = 6.680579201808226 (0.031063% change) linmin: converged after 4 iterations. - iteration 7: trace = 6.674361515453429 (0.0507667% change) + iteration 6: trace = 6.677750893361891 (0.0423452% change) linmin: converged after 4 iterations. - iteration 8: trace = 6.672549248124937 (0.0271564% change) + iteration 7: trace = 6.674361594044073 (0.050768% change) linmin: converged after 4 iterations. - iteration 9: trace = 6.670357074217137 (0.032859% change) + iteration 8: trace = 6.672549302853043 (0.0271567% change) linmin: converged after 4 iterations. - iteration 10: trace = 6.669034273421945 (0.019833% change) - linmin: converged after 3 iterations. - iteration 11: trace = 6.667931877203758 (0.0165314% change) + iteration 9: trace = 6.670357066774674 (0.0328599% change) linmin: converged after 4 iterations. - iteration 12: trace = 6.667446347339836 (0.00728183% change) - large trace change predicted (0.0240835%) + iteration 10: trace = 6.669034248536509 (0.0198333% change) + linmin: converged after 3 iterations. + iteration 11: trace = 6.667931834575813 (0.0165317% change) linmin: converged after 4 iterations. - iteration 13: trace = 6.665843395948846 (0.0240443% change) + iteration 12: trace = 6.667446303443745 (0.00728185% change) + large trace change predicted (0.0240838%) + linmin: converged after 3 iterations. + iteration 13: trace = 6.665843334083709 (0.0240446% change) linmin: converged after 4 iterations. - iteration 14: trace = 6.664868522604189 (0.014626% change) + iteration 14: trace = 6.66486846736295 (0.0146259% change) linmin: converged after 3 iterations. - iteration 15: trace = 6.663981786802305 (0.0133055% change) + iteration 15: trace = 6.663981733905906 (0.0133055% change) linmin: converged after 3 iterations. - iteration 16: trace = 6.663285117138646 (0.0104548% change) + iteration 16: trace = 6.663285084482229 (0.0104545% change) linmin: converged after 4 iterations. - iteration 17: trace = 6.662813208969369 (0.00708247% change) + iteration 17: trace = 6.662813192866356 (0.00708222% change) linmin: converged after 3 iterations. - iteration 18: trace = 6.662657367649856 (0.002339% change) + iteration 18: trace = 6.662657357070792 (0.00233892% change) linmin: converged after 3 iterations. - iteration 19: trace = 6.662510138450232 (0.00220979% change) + iteration 19: trace = 6.662510122481283 (0.00220987% change) large trace change predicted (0.00524066%) - linmin: converged after 15 iterations. - iteration 20: trace = 6.662160849237966 (0.00524274% change) linmin: converged after 4 iterations. - iteration 21: trace = 6.66197420989029 (0.00280152% change) + iteration 20: trace = 6.662160833046354 (0.00524275% change) linmin: converged after 4 iterations. - iteration 22: trace = 6.661701520880363 (0.0040933% change) + iteration 21: trace = 6.661974197159497 (0.00280147% change) linmin: converged after 4 iterations. - iteration 23: trace = 6.661499720875717 (0.0030293% change) + iteration 22: trace = 6.661701512673353 (0.00409323% change) + linmin: converged after 4 iterations. + iteration 23: trace = 6.661499721703865 (0.00302917% change) linmin: converged after 3 iterations. - iteration 24: trace = 6.66140143678833 (0.00147542% change) + iteration 24: trace = 6.661401439188007 (0.00147539% change) linmin: converged after 3 iterations. - iteration 25: trace = 6.661330968901323 (0.00105786% change) + iteration 25: trace = 6.661330971444744 (0.00105786% change) linmin: converged after 4 iterations. - iteration 26: trace = 6.661273357520589 (0.000864867% change) + iteration 26: trace = 6.661273357762211 (0.000864901% change) linmin: converged after 3 iterations. - iteration 27: trace = 6.661214838045455 (0.000878507% change) - linmin: converged after 4 iterations. - iteration 28: trace = 6.661157759371667 (0.000856885% change) + iteration 27: trace = 6.661214834192578 (0.000878568% change) linmin: converged after 5 iterations. - iteration 29: trace = 6.661112661284326 (0.000677033% change) - linmin: converged after 20 iterations. - iteration 30: trace = 6.661070300433895 (0.000635945% change) - linmin: converged after 3 iterations. - iteration 31: trace = 6.66105830797355 (0.000180038% change) - linmin: converged after 3 iterations. - iteration 32: trace = 6.661042292611342 (0.000240433% change) + iteration 28: trace = 6.661157756789755 (0.000856865% change) + linmin: converged after 4 iterations. + iteration 29: trace = 6.661112660041258 (0.000677013% change) + linmin: converged after 12 iterations. + iteration 30: trace = 6.661070301398707 (0.000635911% change) + linmin: converged after 8 iterations. + iteration 31: trace = 6.661058308818144 (0.00018004% change) linmin: converged after 3 iterations. - iteration 33: trace = 6.661028283401026 (0.000210316% change) + iteration 32: trace = 6.661042293902675 (0.000240426% change) linmin: converged after 3 iterations. - iteration 34: trace = 6.661012969925144 (0.000229897% change) + iteration 33: trace = 6.661028283982835 (0.000210326% change) + linmin: converged after 4 iterations. + iteration 34: trace = 6.661012970631239 (0.000229895% change) linmin: converged after 3 iterations. - iteration 35: trace = 6.661000272803735 (0.000190619% change) - linmin: converged after 5 iterations. - iteration 36: trace = 6.660981057702862 (0.000288472% change) + iteration 35: trace = 6.66100027301364 (0.000190626% change) linmin: converged after 3 iterations. - iteration 37: trace = 6.660974846356311 (9.32498e-05% change) + iteration 36: trace = 6.660981057909785 (0.000288472% change) linmin: converged after 3 iterations. - iteration 38: trace = 6.660970536539435 (6.47025e-05% change) - linmin: converged after 5 iterations. - iteration 39: trace = 6.660965329886953 (7.81666e-05% change) - linmin: converged after 4 iterations. - iteration 40: trace = 6.660960399146574 (7.40244e-05% change) - linmin: converged after 6 iterations. - iteration 41: trace = 6.66095569069584 (7.06873e-05% change) + iteration 37: trace = 6.66097484726604 (9.32392e-05% change) linmin: converged after 4 iterations. - iteration 42: trace = 6.660951410712856 (6.42548e-05% change) - linmin: converged after 3 iterations. - iteration 43: trace = 6.660948058569098 (5.03253e-05% change) + iteration 38: trace = 6.660970536815519 (6.4712e-05% change) linmin: converged after 3 iterations. - iteration 44: trace = 6.660947085941736 (1.46019e-05% change) - large trace change predicted (2.98581e-05%) + iteration 39: trace = 6.660965329962496 (7.81696e-05% change) linmin: converged after 4 iterations. - iteration 45: trace = 6.660945097035194 (2.98592e-05% change) + iteration 40: trace = 6.660960399421286 (7.40214e-05% change) + linmin: converged after 3 iterations. + iteration 41: trace = 6.660955690708139 (7.06912e-05% change) linmin: converged after 4 iterations. - iteration 46: trace = 6.66094382178454 (1.91452e-05% change) - linmin: converged after 5 iterations. - iteration 47: trace = 6.660942440494746 (2.07372e-05% change) + iteration 42: trace = 6.660951410849594 (6.42529e-05% change) linmin: converged after 4 iterations. - iteration 48: trace = 6.660941469353216 (1.45796e-05% change) + iteration 43: trace = 6.660948058756611 (5.03246e-05% change) linmin: converged after 3 iterations. - iteration 49: trace = 6.66094020410135 (1.89951e-05% change) - linmin: converged after 5 iterations. - iteration 50: trace = 6.660939460723126 (1.11603e-05% change) + iteration 44: trace = 6.660947086193712 (1.4601e-05% change) + large trace change predicted (2.9858e-05%) linmin: converged after 3 iterations. - iteration 51: trace = 6.660938948018435 (7.69718e-06% change) + iteration 45: trace = 6.660945097294904 (2.98591e-05% change) linmin: converged after 3 iterations. - iteration 52: trace = 6.660938435141803 (7.69977e-06% change) + iteration 46: trace = 6.660943821916199 (1.91471e-05% change) + linmin: converged after 7 iterations. + iteration 47: trace = 6.660942440538782 (2.07385e-05% change) + linmin: converged after 5 iterations. + iteration 48: trace = 6.660941469487486 (1.45783e-05% change) linmin: converged after 3 iterations. - iteration 53: trace = 6.660938003174664 (6.48508e-06% change) + iteration 49: trace = 6.660940204253244 (1.89948e-05% change) linmin: converged after 3 iterations. - iteration 54: trace = 6.660937690969898 (4.6871e-06% change) + iteration 50: trace = 6.660939460841044 (1.11608e-05% change) + linmin: converged after 4 iterations. + iteration 51: trace = 6.660938948162061 (7.6968e-06% change) linmin: converged after 3 iterations. - iteration 55: trace = 6.660937258482483 (6.49289e-06% change) + iteration 52: trace = 6.660938435250984 (7.70028e-06% change) linmin: converged after 3 iterations. - iteration 56: trace = 6.660937081002793 (2.66449e-06% change) + iteration 53: trace = 6.660938003266555 (6.48534e-06% change) linmin: converged after 5 iterations. - iteration 57: trace = 6.660937039777968 (6.18904e-07% change) + iteration 54: trace = 6.660937691025908 (4.68764e-06% change) linmin: converged after 3 iterations. - iteration 58: trace = 6.660936992667125 (7.07271e-07% change) - linmin: converged after 5 iterations. - iteration 59: trace = 6.660936943518592 (7.37862e-07% change) + iteration 55: trace = 6.660937258504646 (6.4934e-06% change) linmin: converged after 3 iterations. - iteration 60: trace = 6.660936890577585 (7.94798e-07% change) + iteration 56: trace = 6.660937081087097 (2.66355e-06% change) + linmin: converged after 4 iterations. + iteration 57: trace = 6.660937039846748 (6.19137e-07% change) + linmin: converged after 11 iterations. + iteration 58: trace = 6.660936992671333 (7.0824e-07% change) linmin: converged after 5 iterations. - iteration 61: trace = 6.660936833465589 (8.57417e-07% change) - linmin: converged after 24 iterations. - iteration 62: trace = 6.660936777960926 (8.33286e-07% change) + iteration 59: trace = 6.660936943569153 (7.37166e-07% change) linmin: converged after 5 iterations. - iteration 63: trace = 6.660936765957731 (1.80203e-07% change) + iteration 60: trace = 6.66093689118733 (7.86403e-07% change) linmin: converged after 2 iterations. - iteration 64: trace = 6.660936755017357 (1.64247e-07% change) - linmin: converged after 3 iterations. - iteration 65: trace = 6.66093674650544 (1.27789e-07% change) - linmin: converged after 6 iterations. - iteration 66: trace = 6.660936740715574 (8.69227e-08% change) + iteration 61: trace = 6.660936833484159 (8.66292e-07% change) + linmin: converged after 10 iterations. + iteration 62: trace = 6.66093677799025 (8.33125e-07% change) linmin: converged after 4 iterations. - iteration 67: trace = 6.660936737170697 (5.32189e-08% change) - linmin: converged after 15 iterations. - iteration 68: trace = 6.660936730929448 (9.36993e-08% change) + iteration 63: trace = 6.660936766005708 (1.79923e-07% change) + linmin: converged after 13 iterations. + iteration 64: trace = 6.660936755019674 (1.64932e-07% change) + linmin: converged after 20 iterations. + iteration 65: trace = 6.660936746508529 (1.27777e-07% change) + linmin: converged after 4 iterations. + iteration 66: trace = 6.660936740742752 (8.65611e-08% change) + linmin: converged after 4 iterations. + iteration 67: trace = 6.660936737175914 (5.35486e-08% change) linmin: converged after 3 iterations. - iteration 69: trace = 6.660936726678534 (6.38186e-08% change) + iteration 68: trace = 6.660936730930394 (9.37634e-08% change) + linmin: converged after 4 iterations. + iteration 69: trace = 6.660936726720237 (6.32067e-08% change) resetting CG direction... + linmin: converged after 3 iterations. + iteration 70: trace = 6.660936725083198 (2.45767e-08% change) linmin: converged after 4 iterations. - iteration 70: trace = 6.660936725045222 (2.45207e-08% change) - linmin: converged after 2 iterations. - iteration 71: trace = 6.660936723760564 (1.92865e-08% change) + iteration 71: trace = 6.660936723775028 (1.96394e-08% change) linmin: converged after 4 iterations. - iteration 72: trace = 6.660936722383546 (2.0673e-08% change) + iteration 72: trace = 6.660936722411583 (2.04693e-08% change) linmin: converged after 6 iterations. - iteration 73: trace = 6.660936721386091 (1.49747e-08% change) - linmin: converged after 5 iterations. - iteration 74: trace = 6.660936720553865 (1.24941e-08% change) - linmin: converged after 13 iterations. - iteration 75: trace = 6.660936719204704 (2.02548e-08% change) + iteration 73: trace = 6.660936721501708 (1.36599e-08% change) linmin: converged after 4 iterations. - iteration 76: trace = 6.660936718304 (1.35222e-08% change) - linmin: converged after 20 iterations. - iteration 77: trace = 6.660936717517122 (1.18133e-08% change) - linmin: converged after 16 iterations. - iteration 78: trace = 6.660936716876025 (9.62473e-09% change) - linmin: converged after 12 iterations. - iteration 79: trace = 6.660936716382677 (7.40658e-09% change) - linmin: converged after 22 iterations. - iteration 80: trace = 6.660936716200043 (2.74187e-09% change) + iteration 74: trace = 6.660936720573119 (1.39408e-08% change) + linmin: converged after 9 iterations. + iteration 75: trace = 6.660936719221472 (2.02921e-08% change) linmin: converged after 4 iterations. - iteration 81: trace = 6.66093671585187 (5.22709e-09% change) - linmin: converged after 3 iterations. - iteration 82: trace = 6.660936715504881 (5.20931e-09% change) + iteration 76: trace = 6.660936718424957 (1.1958e-08% change) + linmin: converged after 7 iterations. + iteration 77: trace = 6.660936717537489 (1.33235e-08% change) + linmin: converged after 5 iterations. + iteration 78: trace = 6.660936716875097 (9.94443e-09% change) linmin: converged after 4 iterations. - iteration 83: trace = 6.66093671530523 (2.99734e-09% change) - linmin: converged after 21 iterations. - iteration 84: trace = 6.66093671508824 (3.25765e-09% change) - linmin: converged after 9 iterations. - iteration 85: trace = 6.660936714937202 (2.26751e-09% change) - linmin: converged after 10 iterations. - iteration 86: trace = 6.660936714833777 (1.55271e-09% change) - linmin: converged after 6 iterations. - iteration 87: trace = 6.660936714749974 (1.25813e-09% change) + iteration 79: trace = 6.660936716394768 (7.21113e-09% change) linmin: converged after 18 iterations. - iteration 88: trace = 6.660936714697367 (7.89781e-10% change) + iteration 80: trace = 6.66093671621277 (2.73232e-09% change) + linmin: converged after 5 iterations. + iteration 81: trace = 6.660936715852338 (5.41113e-09% change) + linmin: converged after 4 iterations. + iteration 82: trace = 6.660936715504298 (5.22509e-09% change) + linmin: converged after 5 iterations. + iteration 83: trace = 6.660936715305061 (2.99113e-09% change) + linmin: converged after 4 iterations. + iteration 84: trace = 6.660936715087105 (3.27216e-09% change) linmin: converged after 6 iterations. - iteration 89: trace = 6.660936714617602 (1.19751e-09% change) - linmin: converged after 16 iterations. - iteration 90: trace = 6.660936714577185 (6.0677e-10% change) - linmin: converged after 7 iterations. - iteration 91: trace = 6.66093671454266 (5.18325e-10% change) + iteration 85: trace = 6.660936714935952 (2.26924e-09% change) linmin: converged after 5 iterations. - iteration 92: trace = 6.660936714523179 (2.92471e-10% change) - linmin: converged after 7 iterations. - iteration 93: trace = 6.660936714512325 (1.62943e-10% change) + iteration 86: trace = 6.660936714834264 (1.52663e-09% change) + linmin: converged after 16 iterations. + iteration 87: trace = 6.660936714774727 (8.93827e-10% change) + linmin: converged after 3 iterations. + iteration 88: trace = 6.660936714701923 (1.093e-09% change) linmin: converged after 7 iterations. - iteration 94: trace = 6.660936714494101 (2.73603e-10% change) - linmin: converged after 2 iterations. - iteration 95: trace = 6.660936714476154 (2.6943e-10% change) + iteration 89: trace = 6.660936714617904 (1.26137e-09% change) + linmin: converged after 8 iterations. + iteration 90: trace = 6.660936714577289 (6.09743e-10% change) linmin: converged after 6 iterations. - iteration 96: trace = 6.66093671446064 (2.32907e-10% change) + iteration 91: trace = 6.660936714542665 (5.19805e-10% change) + linmin: converged after 5 iterations. + iteration 92: trace = 6.660936714522309 (3.05605e-10% change) + linmin: converged after 3 iterations. + iteration 93: trace = 6.660936714508697 (2.04359e-10% change) linmin: converged after 4 iterations. - iteration 97: trace = 6.660936714455401 (7.86581e-11% change) + iteration 94: trace = 6.660936714493674 (2.25534e-10% change) + linmin: converged after 26 iterations. + iteration 95: trace = 6.660936714476305 (2.60762e-10% change) + linmin: converged after 12 iterations. + iteration 96: trace = 6.660936714459776 (2.48148e-10% change) + linmin: converged after 6 iterations. + iteration 97: trace = 6.660936714454205 (8.3645e-11% change) Finished solving for bands 1 to 8 after 97 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.39535, 0.591668, 0.641198, 0.766761, 1.02252, 1.04927, 1.20755, 1.24532 -elapsed time for k point: 1.833439588546753 +elapsed time for k point: 6.5780205726623535 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. - iteration 1: trace = 6.828693051154345 (0.258209% change) + iteration 1: trace = 6.828692932197362 (0.258211% change) linmin: converged after 4 iterations. - iteration 2: trace = 6.814914958893745 (0.201971% change) + iteration 2: trace = 6.814914965264498 (0.20197% change) linmin: converged after 4 iterations. - iteration 3: trace = 6.80349260183447 (0.167749% change) + iteration 3: trace = 6.803492620555474 (0.167749% change) linmin: converged after 4 iterations. - iteration 4: trace = 6.79848734870875 (0.0735959% change) + iteration 4: trace = 6.798487384024338 (0.0735957% change) linmin: converged after 4 iterations. - iteration 5: trace = 6.793361675684579 (0.0754227% change) + iteration 5: trace = 6.793361694835807 (0.075423% change) linmin: converged after 4 iterations. - iteration 6: trace = 6.785739191682397 (0.112268% change) + iteration 6: trace = 6.785739191772875 (0.112268% change) linmin: converged after 4 iterations. - iteration 7: trace = 6.782648806865124 (0.0455527% change) - large trace change predicted (0.100602%) + iteration 7: trace = 6.782648574754817 (0.0455561% change) + large trace change predicted (0.100598%) linmin: converged after 4 iterations. - iteration 8: trace = 6.775936763703433 (0.099008% change) + iteration 8: trace = 6.775936778117317 (0.0990044% change) linmin: converged after 4 iterations. - iteration 9: trace = 6.767502062135385 (0.124558% change) - linmin: converged after 7 iterations. - iteration 10: trace = 6.763226521067462 (0.0631975% change) + iteration 9: trace = 6.767502051844392 (0.124558% change) + linmin: converged after 5 iterations. + iteration 10: trace = 6.763226503306994 (0.0631976% change) linmin: converged after 4 iterations. - iteration 11: trace = 6.757059612273398 (0.0912245% change) - linmin: converged after 3 iterations. - iteration 12: trace = 6.751376366656176 (0.0841437% change) + iteration 11: trace = 6.757059636951423 (0.0912239% change) + linmin: converged after 4 iterations. + iteration 12: trace = 6.751376339809814 (0.0841444% change) linmin: converged after 3 iterations. - iteration 13: trace = 6.749200935773478 (0.0322272% change) - large trace change predicted (0.0987644%) + iteration 13: trace = 6.749200942444624 (0.0322267% change) + large trace change predicted (0.098764%) linmin: converged after 4 iterations. - iteration 14: trace = 6.742591302242313 (0.0979801% change) + iteration 14: trace = 6.742591327332444 (0.0979798% change) linmin: converged after 3 iterations. - iteration 15: trace = 6.740640411046187 (0.028938% change) + iteration 15: trace = 6.74064043008239 (0.0289381% change) linmin: converged after 4 iterations. - iteration 16: trace = 6.737712689049472 (0.0434433% change) + iteration 16: trace = 6.737712702644741 (0.0434434% change) linmin: converged after 4 iterations. - iteration 17: trace = 6.734520894288492 (0.0473833% change) + iteration 17: trace = 6.734521055756544 (0.0473811% change) linmin: converged after 4 iterations. - iteration 18: trace = 6.732582934604476 (0.0287806% change) + iteration 18: trace = 6.732582969991087 (0.0287825% change) linmin: converged after 4 iterations. - iteration 19: trace = 6.729242247617569 (0.049632% change) + iteration 19: trace = 6.729242279318989 (0.0496321% change) linmin: converged after 4 iterations. - iteration 20: trace = 6.728109349512105 (0.0168369% change) + iteration 20: trace = 6.728109460929541 (0.0168357% change) linmin: converged after 3 iterations. - iteration 21: trace = 6.726644075980233 (0.0217808% change) + iteration 21: trace = 6.726644082704315 (0.0217823% change) linmin: converged after 4 iterations. - iteration 22: trace = 6.725872574431966 (0.01147% change) + iteration 22: trace = 6.725872614262508 (0.0114695% change) linmin: converged after 3 iterations. - iteration 23: trace = 6.725359736473234 (0.00762514% change) + iteration 23: trace = 6.725359750103414 (0.00762553% change) + linmin: converged after 9 iterations. + iteration 24: trace = 6.724756263394831 (0.0089737% change) linmin: converged after 4 iterations. - iteration 24: trace = 6.724756253268692 (0.00897365% change) + iteration 25: trace = 6.724231411927201 (0.00780507% change) linmin: converged after 4 iterations. - iteration 25: trace = 6.72423135588593 (0.00780575% change) + iteration 26: trace = 6.72353038769562 (0.0104259% change) linmin: converged after 4 iterations. - iteration 26: trace = 6.72353038351107 (0.0104251% change) + iteration 27: trace = 6.72305361258861 (0.00709139% change) linmin: converged after 4 iterations. - iteration 27: trace = 6.723053571704133 (0.00709194% change) + iteration 28: trace = 6.722658831155034 (0.00587223% change) linmin: converged after 4 iterations. - iteration 28: trace = 6.722658821939687 (0.00587176% change) - linmin: converged after 5 iterations. - iteration 29: trace = 6.722318019409016 (0.00506959% change) - linmin: converged after 3 iterations. - iteration 30: trace = 6.722110946093002 (0.00308043% change) + iteration 29: trace = 6.722318021171386 (0.0050697% change) linmin: converged after 3 iterations. - iteration 31: trace = 6.721805721101981 (0.00454072% change) + iteration 30: trace = 6.722110952845989 (0.00308036% change) linmin: converged after 3 iterations. - iteration 32: trace = 6.721654547984085 (0.00224902% change) + iteration 31: trace = 6.72180572384042 (0.00454078% change) linmin: converged after 3 iterations. - iteration 33: trace = 6.721517298715021 (0.00204192% change) + iteration 32: trace = 6.721654546650987 (0.00224908% change) linmin: converged after 3 iterations. - iteration 34: trace = 6.721358436783906 (0.00236351% change) + iteration 33: trace = 6.721517300620625 (0.00204187% change) linmin: converged after 3 iterations. - iteration 35: trace = 6.721272059164479 (0.00128513% change) + iteration 34: trace = 6.7213584529419 (0.0023633% change) linmin: converged after 3 iterations. - iteration 36: trace = 6.721179700137169 (0.00137414% change) - linmin: converged after 7 iterations. - iteration 37: trace = 6.72112330194598 (0.000839115% change) - linmin: converged after 3 iterations. - iteration 38: trace = 6.721064008046548 (0.000882206% change) + iteration 35: trace = 6.721272062065387 (0.00128533% change) linmin: converged after 3 iterations. - iteration 39: trace = 6.720970925766762 (0.00138494% change) + iteration 36: trace = 6.721179704433854 (0.00137412% change) + linmin: converged after 6 iterations. + iteration 37: trace = 6.721123312837856 (0.000839017% change) linmin: converged after 4 iterations. - iteration 40: trace = 6.720931118364441 (0.000592288% change) - large trace change predicted (0.00161291%) + iteration 38: trace = 6.721064010233983 (0.000882336% change) linmin: converged after 3 iterations. - iteration 41: trace = 6.720822626495152 (0.00161425% change) - linmin: converged after 4 iterations. - iteration 42: trace = 6.720798459314678 (0.000359587% change) - large trace change predicted (0.000726947%) + iteration 39: trace = 6.720970934186284 (0.00138485% change) linmin: converged after 4 iterations. - iteration 43: trace = 6.720749733677937 (0.000725% change) + iteration 40: trace = 6.720931123628825 (0.000592335% change) + large trace change predicted (0.00161294%) + linmin: converged after 7 iterations. + iteration 41: trace = 6.720822629630383 (0.00161428% change) linmin: converged after 4 iterations. - iteration 44: trace = 6.720722599348418 (0.00040374% change) + iteration 42: trace = 6.720798465041909 (0.000359549% change) + large trace change predicted (0.000727004%) linmin: converged after 4 iterations. - iteration 45: trace = 6.720705195838294 (0.000258953% change) - large trace change predicted (0.000642163%) + iteration 43: trace = 6.720749735567072 (0.000725057% change) linmin: converged after 6 iterations. - iteration 46: trace = 6.720662127476741 (0.000640833% change) + iteration 44: trace = 6.720722603809699 (0.000403702% change) + linmin: converged after 4 iterations. + iteration 45: trace = 6.720705198274824 (0.000258983% change) + large trace change predicted (0.000642172%) + linmin: converged after 4 iterations. + iteration 46: trace = 6.720662129304636 (0.000640842% change) linmin: converged after 3 iterations. - iteration 47: trace = 6.720647157207791 (0.00022275% change) - linmin: converged after 8 iterations. - iteration 48: trace = 6.720620433065634 (0.000397643% change) + iteration 47: trace = 6.720647162593369 (0.000222697% change) + linmin: converged after 4 iterations. + iteration 48: trace = 6.720620434054789 (0.000397709% change) linmin: converged after 6 iterations. - iteration 49: trace = 6.720599311445288 (0.000314281% change) - linmin: converged after 3 iterations. - iteration 50: trace = 6.720588137884642 (0.000166259% change) + iteration 49: trace = 6.720599315533076 (0.000314235% change) linmin: converged after 3 iterations. - iteration 51: trace = 6.72057243682333 (0.000233627% change) + iteration 50: trace = 6.72058813969885 (0.000166292% change) + linmin: converged after 4 iterations. + iteration 51: trace = 6.72057243791998 (0.000233637% change) + linmin: converged after 5 iterations. + iteration 52: trace = 6.72056050869862 (0.000177503% change) linmin: converged after 3 iterations. - iteration 52: trace = 6.720560502321083 (0.000177582% change) + iteration 53: trace = 6.720550778670663 (0.00014478% change) linmin: converged after 3 iterations. - iteration 53: trace = 6.720550778306086 (0.000144691% change) + iteration 54: trace = 6.720542020515965 (0.000130319% change) linmin: converged after 3 iterations. - iteration 54: trace = 6.72054201518942 (0.000130393% change) + iteration 55: trace = 6.720538072089448 (5.87516e-05% change) linmin: converged after 3 iterations. - iteration 55: trace = 6.720538071718374 (5.86779e-05% change) + iteration 56: trace = 6.720533816519215 (6.33219e-05% change) linmin: converged after 3 iterations. - iteration 56: trace = 6.72053381517578 (6.33364e-05% change) - linmin: converged after 4 iterations. - iteration 57: trace = 6.720531116533037 (4.01552e-05% change) + iteration 57: trace = 6.720531118619741 (4.01441e-05% change) linmin: converged after 3 iterations. - iteration 58: trace = 6.720527587074378 (5.25176e-05% change) - linmin: converged after 4 iterations. - iteration 59: trace = 6.720523742686854 (5.72037e-05% change) + iteration 58: trace = 6.720527587347162 (5.25446e-05% change) + linmin: converged after 6 iterations. + iteration 59: trace = 6.720523746324207 (5.71536e-05% change) linmin: converged after 3 iterations. - iteration 60: trace = 6.720520452028452 (4.89643e-05% change) + iteration 60: trace = 6.720520452362108 (4.90135e-05% change) linmin: converged after 3 iterations. - iteration 61: trace = 6.720515635821292 (7.16642e-05% change) - linmin: converged after 4 iterations. - iteration 62: trace = 6.72051369558301 (2.88704e-05% change) + iteration 61: trace = 6.72051563708091 (7.16504e-05% change) linmin: converged after 4 iterations. - iteration 63: trace = 6.720511339613811 (3.50564e-05% change) - linmin: converged after 2 iterations. - iteration 64: trace = 6.720510233489242 (1.64589e-05% change) + iteration 62: trace = 6.72051369595402 (2.88836e-05% change) linmin: converged after 3 iterations. - iteration 65: trace = 6.720509525527539 (1.05343e-05% change) + iteration 63: trace = 6.720511339793044 (3.50592e-05% change) linmin: converged after 2 iterations. - iteration 66: trace = 6.720508403284164 (1.66988e-05% change) - linmin: converged after 5 iterations. - iteration 67: trace = 6.720507795474456 (9.0441e-06% change) - large trace change predicted (2.55095e-05%) - linmin: converged after 7 iterations. - iteration 68: trace = 6.720506081153956 (2.55088e-05% change) - linmin: converged after 4 iterations. - iteration 69: trace = 6.720505166064807 (1.36164e-05% change) - resetting CG direction... + iteration 64: trace = 6.720510233849417 (1.64562e-05% change) linmin: converged after 3 iterations. - iteration 70: trace = 6.720504632404202 (7.94078e-06% change) + iteration 65: trace = 6.720509525600732 (1.05386e-05% change) linmin: converged after 2 iterations. - iteration 71: trace = 6.720503757869241 (1.30129e-05% change) + iteration 66: trace = 6.7205084034313 (1.66977e-05% change) linmin: converged after 3 iterations. - iteration 72: trace = 6.720503155026131 (8.97021e-06% change) + iteration 67: trace = 6.720507795749819 (9.0422e-06% change) + large trace change predicted (2.55121e-05%) linmin: converged after 3 iterations. - iteration 73: trace = 6.720502824908291 (4.9121e-06% change) - linmin: converged after 5 iterations. - iteration 74: trace = 6.72050226709905 (8.30011e-06% change) - linmin: converged after 4 iterations. - iteration 75: trace = 6.720501617768297 (9.66194e-06% change) - linmin: converged after 12 iterations. - iteration 76: trace = 6.720501326228034 (4.33807e-06% change) + iteration 68: trace = 6.720506081249283 (2.55115e-05% change) + linmin: converged after 3 iterations. + iteration 69: trace = 6.720505166420776 (1.36125e-05% change) + resetting CG direction... + linmin: converged after 3 iterations. + iteration 70: trace = 6.72050463277891 (7.9405e-06% change) linmin: converged after 2 iterations. - iteration 77: trace = 6.720500923028406 (5.99955e-06% change) + iteration 71: trace = 6.720503757990635 (1.30167e-05% change) linmin: converged after 3 iterations. - iteration 78: trace = 6.720500448443767 (7.06175e-06% change) - linmin: converged after 4 iterations. - iteration 79: trace = 6.720500087656586 (5.36846e-06% change) + iteration 72: trace = 6.720503155208389 (8.9693e-06% change) linmin: converged after 4 iterations. - iteration 80: trace = 6.720499710699892 (5.60906e-06% change) - linmin: converged after 6 iterations. - iteration 81: trace = 6.72049940863037 (4.49475e-06% change) - linmin: converged after 4 iterations. - iteration 82: trace = 6.720499351281875 (8.53337e-07% change) + iteration 73: trace = 6.720502825105942 (4.91187e-06% change) + linmin: converged after 18 iterations. + iteration 74: trace = 6.720502267240493 (8.30095e-06% change) + linmin: converged after 7 iterations. + iteration 75: trace = 6.720501618110138 (9.65896e-06% change) linmin: converged after 5 iterations. - iteration 83: trace = 6.720499245521641 (1.5737e-06% change) + iteration 76: trace = 6.720501328038099 (4.31623e-06% change) linmin: converged after 4 iterations. - iteration 84: trace = 6.72049913262799 (1.67984e-06% change) - linmin: converged after 4 iterations. - iteration 85: trace = 6.720498945729719 (2.78102e-06% change) - linmin: converged after 4 iterations. - iteration 86: trace = 6.720498852363972 (1.38927e-06% change) + iteration 77: trace = 6.7205009230722 (6.02583e-06% change) + linmin: converged after 3 iterations. + iteration 78: trace = 6.720500448799244 (7.05711e-06% change) linmin: converged after 4 iterations. - iteration 87: trace = 6.720498761849329 (1.34684e-06% change) + iteration 79: trace = 6.720500088983318 (5.35401e-06% change) + linmin: converged after 3 iterations. + iteration 80: trace = 6.720499710769414 (5.62776e-06% change) + linmin: converged after 6 iterations. + iteration 81: trace = 6.720499408809486 (4.49312e-06% change) + linmin: converged after 15 iterations. + iteration 82: trace = 6.720499351642163 (8.50641e-07% change) + linmin: converged after 2 iterations. + iteration 83: trace = 6.720499245515009 (1.57916e-06% change) linmin: converged after 4 iterations. - iteration 88: trace = 6.7204986739702 (1.30763e-06% change) - linmin: converged after 10 iterations. - iteration 89: trace = 6.720498653720747 (3.01309e-07% change) + iteration 84: trace = 6.720499132703607 (1.67862e-06% change) + linmin: converged after 2 iterations. + iteration 85: trace = 6.720498950841035 (2.70609e-06% change) linmin: converged after 4 iterations. - iteration 90: trace = 6.720498625582296 (4.18696e-07% change) + iteration 86: trace = 6.720498880676388 (1.04404e-06% change) linmin: converged after 4 iterations. - iteration 91: trace = 6.720498602021372 (3.50583e-07% change) - linmin: converged after 8 iterations. - iteration 92: trace = 6.720498576202601 (3.84179e-07% change) + iteration 87: trace = 6.720498762914756 (1.75228e-06% change) linmin: converged after 22 iterations. - iteration 93: trace = 6.720498560284163 (2.36864e-07% change) + iteration 88: trace = 6.7204986743451 (1.3179e-06% change) linmin: converged after 3 iterations. - iteration 94: trace = 6.720498532121002 (4.19064e-07% change) + iteration 89: trace = 6.720498653692061 (3.07314e-07% change) linmin: converged after 4 iterations. - iteration 95: trace = 6.720498515238853 (2.51204e-07% change) + iteration 90: trace = 6.720498625816559 (4.14783e-07% change) linmin: converged after 4 iterations. - iteration 96: trace = 6.720498508370332 (1.02203e-07% change) + iteration 91: trace = 6.720498605760083 (2.98437e-07% change) + linmin: converged after 3 iterations. + iteration 92: trace = 6.720498595227441 (1.56724e-07% change) + large trace change predicted (5.07926e-07%) + linmin: converged after 5 iterations. + iteration 93: trace = 6.720498561093626 (5.07906e-07% change) + linmin: converged after 9 iterations. + iteration 94: trace = 6.720498531992908 (4.33014e-07% change) + linmin: converged after 19 iterations. + iteration 95: trace = 6.72049851449162 (2.60417e-07% change) + linmin: converged after 3 iterations. + iteration 96: trace = 6.720498507277918 (1.07339e-07% change) linmin: converged after 4 iterations. - iteration 97: trace = 6.720498499076403 (1.38292e-07% change) - linmin: converged after 10 iterations. - iteration 98: trace = 6.720498492447143 (9.86424e-08% change) - linmin: converged after 7 iterations. - iteration 99: trace = 6.72049849018129 (3.37155e-08% change) + iteration 97: trace = 6.720498499050694 (1.2242e-07% change) + linmin: converged after 5 iterations. + iteration 98: trace = 6.720498492646716 (9.52902e-08% change) linmin: converged after 4 iterations. - iteration 100: trace = 6.720498486342221 (5.71248e-08% change) + iteration 99: trace = 6.720498490750306 (2.82183e-08% change) + large trace change predicted (6.53942e-08%) + linmin: converged after 10 iterations. + iteration 100: trace = 6.720498486355421 (6.53952e-08% change) linmin: converged after 4 iterations. - iteration 101: trace = 6.720498482650953 (5.49255e-08% change) + iteration 101: trace = 6.720498482602558 (5.5842e-08% change) linmin: converged after 4 iterations. - iteration 102: trace = 6.720498480429661 (3.30525e-08% change) - linmin: converged after 12 iterations. - iteration 103: trace = 6.720498478111147 (3.44991e-08% change) + iteration 102: trace = 6.720498480223266 (3.54035e-08% change) linmin: converged after 4 iterations. - iteration 104: trace = 6.720498474206468 (5.8101e-08% change) + iteration 103: trace = 6.720498478092539 (3.17049e-08% change) + linmin: converged after 3 iterations. + iteration 104: trace = 6.720498474215572 (5.76887e-08% change) linmin: converged after 4 iterations. - iteration 105: trace = 6.720498473262042 (1.40529e-08% change) + iteration 105: trace = 6.720498473341556 (1.30052e-08% change) + linmin: converged after 10 iterations. + iteration 106: trace = 6.720498471878285 (2.17733e-08% change) + linmin: converged after 17 iterations. + iteration 107: trace = 6.720498470877674 (1.48889e-08% change) linmin: converged after 4 iterations. - iteration 106: trace = 6.720498471876009 (2.0624e-08% change) - linmin: converged after 6 iterations. - iteration 107: trace = 6.720498470967589 (1.35172e-08% change) + iteration 108: trace = 6.720498470214537 (9.86738e-09% change) + linmin: converged after 16 iterations. + iteration 109: trace = 6.720498469395478 (1.21875e-08% change) linmin: converged after 4 iterations. - iteration 108: trace = 6.720498470312162 (9.75265e-09% change) - linmin: converged after 9 iterations. - iteration 109: trace = 6.720498469396089 (1.3631e-08% change) - linmin: converged after 7 iterations. - iteration 110: trace = 6.720498468512294 (1.31507e-08% change) - linmin: converged after 21 iterations. - iteration 111: trace = 6.720498467999879 (7.62466e-09% change) - linmin: converged after 5 iterations. - iteration 112: trace = 6.720498467640348 (5.34977e-09% change) - linmin: converged after 21 iterations. - iteration 113: trace = 6.720498466970739 (9.96368e-09% change) - linmin: converged after 5 iterations. - iteration 114: trace = 6.720498466677312 (4.36614e-09% change) - linmin: converged after 18 iterations. - iteration 115: trace = 6.720498466441213 (3.51312e-09% change) + iteration 110: trace = 6.720498468578502 (1.21565e-08% change) linmin: converged after 6 iterations. - iteration 116: trace = 6.720498466250924 (2.83147e-09% change) - linmin: converged after 22 iterations. - iteration 117: trace = 6.720498466096265 (2.30131e-09% change) - linmin: converged after 6 iterations. - iteration 118: trace = 6.720498466030922 (9.72285e-10% change) - large trace change predicted (2.34671e-09%) - linmin: converged after 4 iterations. - iteration 119: trace = 6.720498465873208 (2.34677e-09% change) - linmin: converged after 4 iterations. - iteration 120: trace = 6.720498465788122 (1.26606e-09% change) + iteration 111: trace = 6.720498468312666 (3.9556e-09% change) + large trace change predicted (9.85003e-09%) linmin: converged after 4 iterations. - iteration 121: trace = 6.72049846573104 (8.49363e-10% change) + iteration 112: trace = 6.720498467650712 (9.84978e-09% change) linmin: converged after 4 iterations. - iteration 122: trace = 6.720498465696925 (5.07638e-10% change) - large trace change predicted (1.13909e-09%) - linmin: converged after 4 iterations. - iteration 123: trace = 6.720498465620373 (1.13907e-09% change) + iteration 113: trace = 6.720498466974139 (1.00673e-08% change) + linmin: converged after 10 iterations. + iteration 114: trace = 6.72049846664066 (4.96213e-09% change) + linmin: converged after 18 iterations. + iteration 115: trace = 6.720498466446129 (2.89459e-09% change) + linmin: converged after 23 iterations. + iteration 116: trace = 6.720498466262029 (2.73938e-09% change) + linmin: converged after 2 iterations. + iteration 117: trace = 6.720498466098732 (2.42983e-09% change) + linmin: converged after 5 iterations. + iteration 118: trace = 6.720498466033712 (9.67488e-10% change) + large trace change predicted (2.3565e-09%) linmin: converged after 4 iterations. - iteration 124: trace = 6.720498465587363 (4.91198e-10% change) + iteration 119: trace = 6.720498465875343 (2.35651e-09% change) + linmin: converged after 9 iterations. + iteration 120: trace = 6.720498465823599 (7.69935e-10% change) + linmin: converged after 18 iterations. + iteration 121: trace = 6.720498465759642 (9.51681e-10% change) + linmin: converged after 14 iterations. + iteration 122: trace = 6.72049846570013 (8.85522e-10% change) linmin: converged after 4 iterations. - iteration 125: trace = 6.720498465572864 (2.15737e-10% change) - linmin: converged after 3 iterations. - iteration 126: trace = 6.720498465558189 (2.18354e-10% change) - linmin: converged after 3 iterations. - iteration 127: trace = 6.720498465551671 (9.69919e-11% change) + iteration 123: trace = 6.720498465620474 (1.18527e-09% change) + linmin: converged after 8 iterations. + iteration 124: trace = 6.720498465589967 (4.53942e-10% change) + linmin: converged after 2 iterations. + iteration 125: trace = 6.720498465572884 (2.54183e-10% change) + linmin: converged after 9 iterations. + iteration 126: trace = 6.720498465558455 (2.14706e-10% change) + linmin: converged after 9 iterations. + iteration 127: trace = 6.720498465555471 (4.44056e-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: 2.0350887775421143 +elapsed time for k point: 4.9924421310424805 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. - iteration 1: trace = 6.805955556140274 (0.370677% change) - linmin: converged after 5 iterations. - iteration 2: trace = 6.786471737212765 (0.286686% change) + iteration 1: trace = 6.805955478543003 (0.370677% change) + linmin: converged after 6 iterations. + iteration 2: trace = 6.786471648903506 (0.286687% change) linmin: converged after 4 iterations. - iteration 3: trace = 6.766412303737587 (0.296017% change) + iteration 3: trace = 6.766412324916795 (0.296016% change) linmin: converged after 5 iterations. - iteration 4: trace = 6.762821519024953 (0.0530819% change) - large trace change predicted (0.161506%) + iteration 4: trace = 6.762821505829873 (0.0530824% change) + large trace change predicted (0.161507%) linmin: converged after 4 iterations. - iteration 5: trace = 6.751550698624738 (0.166798% change) + iteration 5: trace = 6.751550617817238 (0.166799% change) linmin: converged after 4 iterations. - iteration 6: trace = 6.745349113007221 (0.0918964% change) + iteration 6: trace = 6.745349151113333 (0.0918947% change) linmin: converged after 4 iterations. - iteration 7: trace = 6.741351595821003 (0.0592809% change) + iteration 7: trace = 6.741351554815452 (0.059282% change) linmin: converged after 3 iterations. - iteration 8: trace = 6.737815037306753 (0.0524744% change) - linmin: converged after 4 iterations. - iteration 9: trace = 6.736500269504852 (0.0195152% change) - large trace change predicted (0.0500715%) + iteration 8: trace = 6.737815048319709 (0.0524737% change) linmin: converged after 3 iterations. - iteration 10: trace = 6.73311324788274 (0.0502913% change) + iteration 9: trace = 6.736500253142319 (0.0195156% change) + large trace change predicted (0.0500717%) linmin: converged after 3 iterations. - iteration 11: trace = 6.731523288857191 (0.0236168% change) + iteration 10: trace = 6.733113213468708 (0.0502916% change) linmin: converged after 3 iterations. - iteration 12: trace = 6.729172175479501 (0.034933% change) + iteration 11: trace = 6.731523273656952 (0.0236165% change) + linmin: converged after 3 iterations. + iteration 12: trace = 6.729172143688086 (0.0349333% change) linmin: converged after 4 iterations. - iteration 13: trace = 6.726626362365467 (0.0378396% change) + iteration 13: trace = 6.726626400377484 (0.0378386% change) linmin: converged after 4 iterations. - iteration 14: trace = 6.725266958049311 (0.0202113% change) + iteration 14: trace = 6.725266952663437 (0.020212% change) linmin: converged after 4 iterations. - iteration 15: trace = 6.722631997987897 (0.0391877% change) + iteration 15: trace = 6.722631938787053 (0.0391885% change) linmin: converged after 4 iterations. - iteration 16: trace = 6.721297487258514 (0.019853% change) + iteration 16: trace = 6.721297232455816 (0.0198559% change) linmin: converged after 3 iterations. - iteration 17: trace = 6.718798677954432 (0.0371844% change) + iteration 17: trace = 6.718798669724381 (0.0371807% change) linmin: converged after 4 iterations. - iteration 18: trace = 6.717806389042686 (0.0147699% change) + iteration 18: trace = 6.717806109607194 (0.014774% change) linmin: converged after 3 iterations. - iteration 19: trace = 6.716974632417087 (0.0123821% change) + iteration 19: trace = 6.716974621702324 (0.0123781% change) linmin: converged after 3 iterations. - iteration 20: trace = 6.716373073156239 (0.00895621% change) + iteration 20: trace = 6.716373013707211 (0.00895693% change) linmin: converged after 4 iterations. - iteration 21: trace = 6.716154314212861 (0.00325715% change) - large trace change predicted (0.010166%) + iteration 21: trace = 6.716154274222775 (0.00325686% change) + large trace change predicted (0.0101657%) linmin: converged after 3 iterations. - iteration 22: trace = 6.715471644375278 (0.0101651% change) - linmin: converged after 4 iterations. - iteration 23: trace = 6.71518352147316 (0.00429053% change) - large trace change predicted (0.0113975%) + iteration 22: trace = 6.715471622416375 (0.0101648% change) linmin: converged after 4 iterations. - iteration 24: trace = 6.714417842276712 (0.0114029% change) + iteration 23: trace = 6.715183444522562 (0.00429135% change) + large trace change predicted (0.0113965%) linmin: converged after 3 iterations. - iteration 25: trace = 6.71402394833166 (0.00586656% change) + iteration 24: trace = 6.714417829369586 (0.0114019% change) + linmin: converged after 3 iterations. + iteration 25: trace = 6.714023703644644 (0.00587001% change) linmin: converged after 4 iterations. - iteration 26: trace = 6.713806570525517 (0.00323772% change) + iteration 26: trace = 6.713806562606502 (0.00323419% change) linmin: converged after 5 iterations. - iteration 27: trace = 6.713579695830396 (0.00337928% change) + iteration 27: trace = 6.713579669895348 (0.00337955% change) linmin: converged after 4 iterations. - iteration 28: trace = 6.713511757404212 (0.00101196% change) - large trace change predicted (0.00208817%) + iteration 28: trace = 6.713511730376159 (0.00101198% change) + large trace change predicted (0.00208782%) linmin: converged after 3 iterations. - iteration 29: trace = 6.713371332358085 (0.0020917% change) + iteration 29: trace = 6.713371328529021 (0.00209135% change) linmin: converged after 3 iterations. - iteration 30: trace = 6.713315097566395 (0.000837657% change) - large trace change predicted (0.00185176%) - linmin: converged after 5 iterations. - iteration 31: trace = 6.713190944166159 (0.00184938% change) + iteration 30: trace = 6.713315047040283 (0.000838353% change) + large trace change predicted (0.00185105%) linmin: converged after 4 iterations. - iteration 32: trace = 6.7131186964011 (0.00107621% change) + iteration 31: trace = 6.713190941271383 (0.00184867% change) linmin: converged after 4 iterations. - iteration 33: trace = 6.713048706918499 (0.00104258% change) + iteration 32: trace = 6.713118653836966 (0.0010768% change) linmin: converged after 4 iterations. - iteration 34: trace = 6.712960197297235 (0.00131848% change) - linmin: converged after 3 iterations. - iteration 35: trace = 6.712939425580438 (0.000309428% change) - large trace change predicted (0.000713864%) + iteration 33: trace = 6.713048702758185 (0.00104201% change) + linmin: converged after 4 iterations. + iteration 34: trace = 6.712960185468717 (0.00131859% change) linmin: converged after 3 iterations. - iteration 36: trace = 6.71289150503998 (0.000713856% change) + iteration 35: trace = 6.712939420844679 (0.000309322% change) + large trace change predicted (0.000713833%) linmin: converged after 3 iterations. - iteration 37: trace = 6.712883805566732 (0.000114697% change) - large trace change predicted (0.000489954%) - linmin: converged after 4 iterations. - iteration 38: trace = 6.712850924275557 (0.000489825% change) - linmin: converged after 19 iterations. - iteration 39: trace = 6.712831958893488 (0.000282524% change) + iteration 36: trace = 6.712891502368722 (0.000713825% change) linmin: converged after 3 iterations. - iteration 40: trace = 6.712819123704335 (0.000191204% change) - linmin: converged after 6 iterations. - iteration 41: trace = 6.712799138643009 (0.000297715% change) + iteration 37: trace = 6.712883797348074 (0.00011478% change) + large trace change predicted (0.000489841%) + linmin: converged after 7 iterations. + iteration 38: trace = 6.712850923656435 (0.000489712% change) + linmin: converged after 10 iterations. + iteration 39: trace = 6.71283194395859 (0.000282737% change) linmin: converged after 3 iterations. - iteration 42: trace = 6.712794545329164 (6.84262e-05% change) - large trace change predicted (0.000162524%) + iteration 40: trace = 6.712819122455018 (0.000191% change) + linmin: converged after 8 iterations. + iteration 41: trace = 6.712799136756814 (0.000297725% change) linmin: converged after 3 iterations. - iteration 43: trace = 6.712783638971096 (0.000162471% change) - linmin: converged after 5 iterations. - iteration 44: trace = 6.712781297147715 (3.4886e-05% change) - large trace change predicted (8.74701e-05%) + iteration 42: trace = 6.712794544531638 (6.841e-05% change) + large trace change predicted (0.00016252%) linmin: converged after 3 iterations. - iteration 45: trace = 6.712775425512478 (8.74695e-05% change) + iteration 43: trace = 6.712783638440309 (0.000162467% change) + linmin: converged after 15 iterations. + iteration 44: trace = 6.712781294955171 (3.49108e-05% change) + large trace change predicted (8.74389e-05%) linmin: converged after 4 iterations. - iteration 46: trace = 6.712773788701442 (2.43835e-05% change) - large trace change predicted (5.15564e-05%) + iteration 45: trace = 6.712775425420207 (8.74382e-05% change) + linmin: converged after 5 iterations. + iteration 46: trace = 6.712773786536613 (2.44144e-05% change) + large trace change predicted (5.15174e-05%) linmin: converged after 3 iterations. - iteration 47: trace = 6.712770326443451 (5.15772e-05% change) + iteration 47: trace = 6.712770326888902 (5.15383e-05% change) linmin: converged after 3 iterations. - iteration 48: trace = 6.712767503408735 (4.20547e-05% change) + iteration 48: trace = 6.712767502529225 (4.20744e-05% change) linmin: converged after 6 iterations. - iteration 49: trace = 6.712766705976109 (1.18793e-05% change) - large trace change predicted (4.49264e-05%) + iteration 49: trace = 6.712766705676549 (1.18707e-05% change) + large trace change predicted (4.49236e-05%) linmin: converged after 4 iterations. - iteration 50: trace = 6.71276368972368 (4.49331e-05% change) - linmin: converged after 3 iterations. - iteration 51: trace = 6.712763102513145 (8.74767e-06% change) - large trace change predicted (2.71726e-05%) - linmin: converged after 3 iterations. - iteration 52: trace = 6.712761278472607 (2.71727e-05% change) - linmin: converged after 3 iterations. - iteration 53: trace = 6.712760420261901 (1.27848e-05% change) - linmin: converged after 3 iterations. - iteration 54: trace = 6.712759718319123 (1.04568e-05% change) - linmin: converged after 3 iterations. - iteration 55: trace = 6.71275902232367 (1.03682e-05% change) - linmin: converged after 11 iterations. - iteration 56: trace = 6.712758847542699 (2.60371e-06% change) - large trace change predicted (8.44623e-06%) - linmin: converged after 5 iterations. - iteration 57: trace = 6.712758280673249 (8.44466e-06% change) - linmin: converged after 3 iterations. - iteration 58: trace = 6.712758165186811 (1.7204e-06% change) - large trace change predicted (5.84776e-06%) + iteration 50: trace = 6.712763689615098 (4.49302e-05% change) linmin: converged after 4 iterations. - iteration 59: trace = 6.712757772705874 (5.84679e-06% change) - linmin: converged after 7 iterations. - iteration 60: trace = 6.71275757260235 (2.98094e-06% change) + iteration 51: trace = 6.712763102046067 (8.75301e-06% change) + large trace change predicted (2.71649e-05%) linmin: converged after 3 iterations. - iteration 61: trace = 6.712757429146562 (2.13706e-06% change) + iteration 52: trace = 6.712761278523179 (2.7165e-05% change) linmin: converged after 3 iterations. - iteration 62: trace = 6.712757251616035 (2.64467e-06% change) + iteration 53: trace = 6.712760419312627 (1.27997e-05% change) linmin: converged after 3 iterations. - iteration 63: trace = 6.712757218523445 (4.92981e-07% change) - large trace change predicted (1.75914e-06%) - linmin: converged after 3 iterations. - iteration 64: trace = 6.712757100431663 (1.75921e-06% change) + iteration 54: trace = 6.712759718341155 (1.04424e-05% change) + linmin: converged after 4 iterations. + iteration 55: trace = 6.712759022141503 (1.03713e-05% change) + linmin: converged after 4 iterations. + iteration 56: trace = 6.712758847519694 (2.60134e-06% change) + large trace change predicted (8.44733e-06%) linmin: converged after 3 iterations. - iteration 65: trace = 6.712757077204495 (3.46015e-07% change) - large trace change predicted (7.749e-07%) - linmin: converged after 11 iterations. - iteration 66: trace = 6.712757025186075 (7.74919e-07% change) + iteration 57: trace = 6.712758280576288 (8.44576e-06% change) + linmin: converged after 4 iterations. + iteration 58: trace = 6.712758165052039 (1.72097e-06% change) + large trace change predicted (5.84533e-06%) linmin: converged after 5 iterations. - iteration 67: trace = 6.712756982495279 (6.35965e-07% change) + iteration 59: trace = 6.712757772734084 (5.84436e-06% change) linmin: converged after 3 iterations. - iteration 68: trace = 6.712756959208504 (3.46903e-07% change) - linmin: converged after 2 iterations. - iteration 69: trace = 6.712756913014613 (6.88151e-07% change) - resetting CG direction... + iteration 60: trace = 6.712757572297407 (2.98591e-06% change) linmin: converged after 3 iterations. - iteration 70: trace = 6.71275690086043 (1.81061e-07% change) - linmin: converged after 4 iterations. - iteration 71: trace = 6.712756887622769 (1.97202e-07% change) + iteration 61: trace = 6.712757429158813 (2.13234e-06% change) + linmin: converged after 3 iterations. + iteration 62: trace = 6.712757251588413 (2.64527e-06% change) linmin: converged after 4 iterations. - iteration 72: trace = 6.712756883398935 (6.29225e-08% change) - large trace change predicted (1.50495e-07%) + iteration 63: trace = 6.712757218511004 (4.92754e-07% change) + large trace change predicted (1.75917e-06%) linmin: converged after 4 iterations. - iteration 73: trace = 6.712756873296715 (1.50493e-07% change) + iteration 64: trace = 6.712757100417212 (1.75924e-06% change) linmin: converged after 3 iterations. - iteration 74: trace = 6.712756865398307 (1.17663e-07% change) - linmin: converged after 11 iterations. - iteration 75: trace = 6.712756859678924 (8.52017e-08% change) - large trace change predicted (2.04395e-07%) + iteration 65: trace = 6.712757077189392 (3.46025e-07% change) + large trace change predicted (7.74679e-07%) linmin: converged after 4 iterations. - iteration 76: trace = 6.712756845958428 (2.04394e-07% change) - linmin: converged after 8 iterations. - iteration 77: trace = 6.712756843616824 (3.48829e-08% change) - large trace change predicted (1.27333e-07%) + iteration 66: trace = 6.71275702518588 (7.74697e-07% change) + linmin: converged after 22 iterations. + iteration 67: trace = 6.712756982430316 (6.3693e-07% change) + linmin: converged after 21 iterations. + iteration 68: trace = 6.71275695920599 (3.45973e-07% change) + linmin: converged after 2 iterations. + iteration 69: trace = 6.712756912978294 (6.88654e-07% change) + resetting CG direction... linmin: converged after 3 iterations. - iteration 78: trace = 6.712756835069192 (1.27334e-07% change) - linmin: converged after 6 iterations. - iteration 79: trace = 6.712756830481178 (6.83477e-08% change) + iteration 70: trace = 6.71275690084059 (1.80815e-07% change) linmin: converged after 4 iterations. - iteration 80: trace = 6.712756828633961 (2.7518e-08% change) - linmin: converged after 3 iterations. - iteration 81: trace = 6.712756824945631 (5.49451e-08% change) - linmin: converged after 8 iterations. - iteration 82: trace = 6.712756821600133 (4.98379e-08% change) + iteration 71: trace = 6.71275688760748 (1.97134e-07% change) + linmin: converged after 26 iterations. + iteration 72: trace = 6.712756883384432 (6.29108e-08% change) + large trace change predicted (1.50424e-07%) linmin: converged after 5 iterations. - iteration 83: trace = 6.712756819597407 (2.98346e-08% change) + iteration 73: trace = 6.712756873286965 (1.50422e-07% change) + linmin: converged after 3 iterations. + iteration 74: trace = 6.71275686538239 (1.17755e-07% change) linmin: converged after 5 iterations. - iteration 84: trace = 6.712756818706199 (1.32763e-08% change) - large trace change predicted (2.89885e-08%) - linmin: converged after 4 iterations. - iteration 85: trace = 6.712756816760288 (2.89883e-08% change) - linmin: converged after 4 iterations. - iteration 86: trace = 6.712756815150729 (2.39776e-08% change) + iteration 75: trace = 6.712756859674894 (8.50246e-08% change) + large trace change predicted (2.04443e-07%) + linmin: converged after 2 iterations. + iteration 76: trace = 6.712756845951144 (2.04443e-07% change) linmin: converged after 4 iterations. - iteration 87: trace = 6.712756814905236 (3.6571e-09% change) - large trace change predicted (1.10318e-08%) + iteration 77: trace = 6.712756843609357 (3.48856e-08% change) + large trace change predicted (1.27222e-07%) linmin: converged after 2 iterations. - iteration 88: trace = 6.712756814164701 (1.10318e-08% change) + iteration 78: trace = 6.712756835069117 (1.27224e-07% change) + linmin: converged after 3 iterations. + iteration 79: trace = 6.7127568304757 (6.84282e-08% change) + linmin: converged after 4 iterations. + iteration 80: trace = 6.712756828633164 (2.74483e-08% change) + large trace change predicted (5.49459e-08%) linmin: converged after 6 iterations. - iteration 89: trace = 6.712756813774292 (5.81592e-09% change) + iteration 81: trace = 6.71275682494475 (5.49464e-08% change) linmin: converged after 4 iterations. - iteration 90: trace = 6.712756813420962 (5.26356e-09% change) + iteration 82: trace = 6.712756821611297 (4.96585e-08% change) + linmin: converged after 6 iterations. + iteration 83: trace = 6.71275682041655 (1.77982e-08% change) + linmin: converged after 12 iterations. + iteration 84: trace = 6.712756818974877 (2.14766e-08% change) + linmin: converged after 6 iterations. + iteration 85: trace = 6.712756816999338 (2.94296e-08% change) linmin: converged after 4 iterations. - iteration 91: trace = 6.712756812889936 (7.91071e-09% change) + iteration 86: trace = 6.71275681651425 (7.22637e-09% change) + large trace change predicted (2.23759e-08%) + linmin: converged after 3 iterations. + iteration 87: trace = 6.712756815012217 (2.23758e-08% change) + linmin: converged after 8 iterations. + iteration 88: trace = 6.712756814222963 (1.17575e-08% change) + linmin: converged after 26 iterations. + iteration 89: trace = 6.71275681400647 (3.22509e-09% change) + large trace change predicted (8.65942e-09%) + linmin: converged after 6 iterations. + iteration 90: trace = 6.712756813425186 (8.65939e-09% change) linmin: converged after 18 iterations. - iteration 92: trace = 6.712756812738028 (2.26297e-09% change) - large trace change predicted (5.55353e-09%) - linmin: converged after 4 iterations. - iteration 93: trace = 6.712756812365232 (5.55355e-09% change) - linmin: converged after 5 iterations. - iteration 94: trace = 6.712756811971886 (5.85968e-09% change) + iteration 91: trace = 6.712756812930239 (7.37323e-09% change) + linmin: converged after 15 iterations. + iteration 92: trace = 6.712756812816491 (1.69451e-09% change) + large trace change predicted (6.66868e-09%) linmin: converged after 4 iterations. - iteration 95: trace = 6.71275681189128 (1.20078e-09% change) - large trace change predicted (3.72477e-09%) - linmin: converged after 5 iterations. - iteration 96: trace = 6.712756811641245 (3.72477e-09% change) + iteration 93: trace = 6.712756812368833 (6.66876e-09% change) linmin: converged after 4 iterations. - iteration 97: trace = 6.712756811541787 (1.48163e-09% change) - linmin: converged after 12 iterations. - iteration 98: trace = 6.712756811501063 (6.06664e-10% change) - large trace change predicted (1.81005e-09%) - linmin: converged after 9 iterations. - iteration 99: trace = 6.712756811379562 (1.81e-09% change) - linmin: converged after 17 iterations. - iteration 100: trace = 6.712756811258247 (1.80724e-09% change) - linmin: converged after 6 iterations. - iteration 101: trace = 6.712756811215185 (6.41502e-10% change) + iteration 94: trace = 6.712756812198307 (2.54034e-09% change) linmin: converged after 16 iterations. - iteration 102: trace = 6.71275681116723 (7.14379e-10% change) - linmin: converged after 3 iterations. - iteration 103: trace = 6.712756811117323 (7.43461e-10% change) - linmin: converged after 3 iterations. - iteration 104: trace = 6.71275681110847 (1.31889e-10% change) - large trace change predicted (4.47684e-10%) + iteration 95: trace = 6.712756811904682 (4.37413e-09% change) + linmin: converged after 15 iterations. + iteration 96: trace = 6.71275681166385 (3.58768e-09% change) + linmin: converged after 21 iterations. + iteration 97: trace = 6.712756811606924 (8.48027e-10% change) + linmin: converged after 16 iterations. + iteration 98: trace = 6.71275681150471 (1.52267e-09% change) + linmin: converged after 22 iterations. + iteration 99: trace = 6.71275681146251 (6.28654e-10% change) + large trace change predicted (1.42114e-09%) linmin: converged after 7 iterations. - iteration 105: trace = 6.712756811078423 (4.47612e-10% change) - linmin: converged after 6 iterations. - iteration 106: trace = 6.712756811072339 (9.06337e-11% change) + iteration 100: trace = 6.712756811367108 (1.4212e-09% change) + linmin: converged after 4 iterations. + iteration 101: trace = 6.712756811248064 (1.7734e-09% change) + linmin: converged after 14 iterations. + iteration 102: trace = 6.712756811221461 (3.96301e-10% change) + large trace change predicted (9.60159e-10%) + linmin: converged after 19 iterations. + iteration 103: trace = 6.712756811157025 (9.5991e-10% change) + linmin: converged after 3 iterations. + iteration 104: trace = 6.712756811110394 (6.94665e-10% change) + linmin: converged after 4 iterations. + iteration 105: trace = 6.712756811080608 (4.43722e-10% change) + linmin: converged after 15 iterations. + iteration 106: trace = 6.712756811074988 (8.37138e-11% change) Finished solving for bands 1 to 8 after 106 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.226064, 0.606225, 0.716276, 0.861027, 1.00531, 1.00779, 1.22714, 1.22782 -elapsed time for k point: 1.6417551040649414 +elapsed time for k point: 6.23092794418335 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 6.80444734924149 (0.0750996% change) - large trace change predicted (0.247839%) + iteration 1: trace = 6.80444823306417 (0.0750868% change) + large trace change predicted (0.247852%) linmin: converged after 3 iterations. - iteration 2: trace = 6.787509679861592 (0.249231% change) - linmin: converged after 5 iterations. - iteration 3: trace = 6.784166205009097 (0.0492714% change) - large trace change predicted (0.154113%) + iteration 2: trace = 6.787509670012377 (0.249244% change) + linmin: converged after 6 iterations. + iteration 3: trace = 6.784166411419661 (0.0492682% change) + large trace change predicted (0.154115%) linmin: converged after 4 iterations. - iteration 4: trace = 6.773847204144591 (0.15222% change) + iteration 4: trace = 6.773847193728276 (0.152223% change) linmin: converged after 4 iterations. - iteration 5: trace = 6.772519904103218 (0.0195964% change) - large trace change predicted (0.0906923%) + iteration 5: trace = 6.772519955131466 (0.0195955% change) + large trace change predicted (0.090693%) linmin: converged after 4 iterations. - iteration 6: trace = 6.76622101075382 (0.0930499% change) + iteration 6: trace = 6.766221013872511 (0.0930506% change) linmin: converged after 3 iterations. - iteration 7: trace = 6.765489299171062 (0.0108148% change) - large trace change predicted (0.0789854%) + iteration 7: trace = 6.76548936407722 (0.0108139% change) + large trace change predicted (0.0789862%) linmin: converged after 4 iterations. - iteration 8: trace = 6.75996017814931 (0.0817588% change) + iteration 8: trace = 6.759960193520429 (0.0817595% change) linmin: converged after 3 iterations. - iteration 9: trace = 6.759699816788689 (0.0038516% change) - large trace change predicted (0.0309306%) + iteration 9: trace = 6.759699832267166 (0.00385159% change) + large trace change predicted (0.0309303%) linmin: converged after 3 iterations. - iteration 10: trace = 6.757603803320771 (0.0310123% change) + iteration 10: trace = 6.757603840872355 (0.031012% change) linmin: converged after 3 iterations. - iteration 11: trace = 6.757368976585108 (0.00347506% change) - large trace change predicted (0.0247087%) + iteration 11: trace = 6.757368978821334 (0.00347558% change) + large trace change predicted (0.024708%) linmin: converged after 4 iterations. - iteration 12: trace = 6.755700228916115 (0.0246983% change) + iteration 12: trace = 6.755700285862515 (0.0246975% change) linmin: converged after 4 iterations. - iteration 13: trace = 6.755504759812125 (0.00289344% change) - large trace change predicted (0.0128513%) + iteration 13: trace = 6.755504756656872 (0.00289433% change) + large trace change predicted (0.0128489%) linmin: converged after 4 iterations. - iteration 14: trace = 6.754652096422456 (0.0126226% change) + iteration 14: trace = 6.754652256702269 (0.0126201% change) linmin: converged after 4 iterations. - iteration 15: trace = 6.754115825109953 (0.0079396% change) + iteration 15: trace = 6.754115822688501 (0.00794201% change) linmin: converged after 4 iterations. - iteration 16: trace = 6.753542646068752 (0.00848673% change) - large trace change predicted (0.0199712%) + iteration 16: trace = 6.753542934385758 (0.00848242% change) + large trace change predicted (0.0199755%) linmin: converged after 3 iterations. - iteration 17: trace = 6.752183278343487 (0.0201302% change) + iteration 17: trace = 6.752183282869231 (0.0201344% change) linmin: converged after 4 iterations. - iteration 18: trace = 6.752084930996202 (0.00145654% change) + iteration 18: trace = 6.752084963814538 (0.00145612% change) large trace change predicted (0.0158811%) - linmin: converged after 4 iterations. - iteration 19: trace = 6.751015895306619 (0.0158339% change) - linmin: converged after 4 iterations. - iteration 20: trace = 6.750877629110741 (0.0020481% change) - large trace change predicted (0.0154238%) linmin: converged after 3 iterations. - iteration 21: trace = 6.749833196250931 (0.0154723% change) - linmin: converged after 4 iterations. - iteration 22: trace = 6.74972827126466 (0.00155449% change) - large trace change predicted (0.0115028%) + iteration 19: trace = 6.751015929941688 (0.0158339% change) linmin: converged after 4 iterations. - iteration 23: trace = 6.748951997189061 (0.0115015% change) - linmin: converged after 4 iterations. - iteration 24: trace = 6.748764535701455 (0.00277768% change) + iteration 20: trace = 6.750877648354508 (0.00204833% change) + large trace change predicted (0.0154236%) linmin: converged after 3 iterations. - iteration 25: trace = 6.748475952935589 (0.00427617% change) + iteration 21: trace = 6.749833228700344 (0.0154721% change) linmin: converged after 4 iterations. - iteration 26: trace = 6.748262766578589 (0.00315908% change) + iteration 22: trace = 6.749728270257185 (0.00155499% change) + large trace change predicted (0.0115014%) linmin: converged after 3 iterations. - iteration 27: trace = 6.748165115519629 (0.00144707% change) - large trace change predicted (0.00385758%) + iteration 23: trace = 6.748952094699345 (0.0115% change) linmin: converged after 4 iterations. - iteration 28: trace = 6.747905812809182 (0.00384264% change) + iteration 24: trace = 6.748764533628876 (0.00277915% change) linmin: converged after 3 iterations. - iteration 29: trace = 6.747846590929771 (0.000877637% change) - large trace change predicted (0.00317726%) + iteration 25: trace = 6.748476080203897 (0.00427426% change) linmin: converged after 4 iterations. - iteration 30: trace = 6.747632828218109 (0.00316792% change) - linmin: converged after 3 iterations. - iteration 31: trace = 6.747606380527159 (0.000391956% change) - large trace change predicted (0.00306595%) + iteration 26: trace = 6.748262765762873 (0.00316098% change) linmin: converged after 3 iterations. - iteration 32: trace = 6.747399940914338 (0.0030595% change) - linmin: converged after 3 iterations. - iteration 33: trace = 6.747387710034533 (0.000181268% change) - large trace change predicted (0.00242345%) + iteration 27: trace = 6.748165172478334 (0.00144621% change) + large trace change predicted (0.00385845%) linmin: converged after 4 iterations. - iteration 34: trace = 6.747225000358066 (0.00241148% change) + iteration 28: trace = 6.747905810232977 (0.00384352% change) linmin: converged after 3 iterations. - iteration 35: trace = 6.747193961895454 (0.000460019% change) - large trace change predicted (0.00107876%) + iteration 29: trace = 6.747846617320835 (0.000877208% change) + large trace change predicted (0.00317766%) linmin: converged after 4 iterations. - iteration 36: trace = 6.74712142606743 (0.00107506% change) + iteration 30: trace = 6.747632827338217 (0.00316832% change) linmin: converged after 3 iterations. - iteration 37: trace = 6.747099769663224 (0.000320973% change) - large trace change predicted (0.000751368%) + iteration 31: trace = 6.747606392086435 (0.000391772% change) + large trace change predicted (0.00306607%) + linmin: converged after 4 iterations. + iteration 32: trace = 6.747399943770354 (0.00305963% change) + linmin: converged after 6 iterations. + iteration 33: trace = 6.747387711982904 (0.000181282% change) + large trace change predicted (0.00242307%) linmin: converged after 4 iterations. - iteration 38: trace = 6.747049140982288 (0.00075038% change) + iteration 34: trace = 6.747225027984606 (0.0024111% change) linmin: converged after 3 iterations. - iteration 39: trace = 6.747008135494828 (0.000607756% change) - linmin: converged after 5 iterations. - iteration 40: trace = 6.746998865269536 (0.000137398% change) - large trace change predicted (0.000631446%) + iteration 35: trace = 6.7471939530929 (0.000460559% change) + large trace change predicted (0.00107836%) + linmin: converged after 4 iterations. + iteration 36: trace = 6.747121444262689 (0.00107466% change) linmin: converged after 3 iterations. - iteration 41: trace = 6.746956260900427 (0.000631459% change) - linmin: converged after 5 iterations. - iteration 42: trace = 6.746953502611817 (4.0882e-05% change) - large trace change predicted (0.000481262%) - linmin: converged after 11 iterations. - iteration 43: trace = 6.746921045032736 (0.000481071% change) + iteration 37: trace = 6.747099766356345 (0.000321292% change) + large trace change predicted (0.000750995%) linmin: converged after 4 iterations. - iteration 44: trace = 6.746917365692235 (5.45336e-05% change) - large trace change predicted (0.000269929%) + iteration 38: trace = 6.747049162932401 (0.000750005% change) + linmin: converged after 3 iterations. + iteration 39: trace = 6.747008134761965 (0.000608092% change) + linmin: converged after 8 iterations. + iteration 40: trace = 6.746998873867414 (0.000137259% change) + large trace change predicted (0.000631565%) linmin: converged after 4 iterations. - iteration 45: trace = 6.746899157853357 (0.000269869% change) + iteration 41: trace = 6.746956261449657 (0.000631578% change) linmin: converged after 6 iterations. - iteration 46: trace = 6.746895007824238 (6.15102e-05% change) - large trace change predicted (0.000193122%) - linmin: converged after 3 iterations. - iteration 47: trace = 6.746881970177647 (0.000193239% change) + iteration 42: trace = 6.746953504597226 (4.08607e-05% change) + large trace change predicted (0.000481228%) linmin: converged after 5 iterations. - iteration 48: trace = 6.746874481051124 (0.000111001% change) + iteration 43: trace = 6.746921049279703 (0.000481038% change) + linmin: converged after 5 iterations. + iteration 44: trace = 6.74691736548497 (5.45997e-05% change) + large trace change predicted (0.000269849%) linmin: converged after 3 iterations. - iteration 49: trace = 6.74686814248656 (9.39482e-05% change) - linmin: converged after 7 iterations. - iteration 50: trace = 6.746857504298402 (0.000157676% change) + iteration 45: trace = 6.746899162999713 (0.00026979% change) + linmin: converged after 9 iterations. + iteration 46: trace = 6.746895007484929 (6.15915e-05% change) + large trace change predicted (0.00019301%) linmin: converged after 3 iterations. - iteration 51: trace = 6.746855514151282 (2.94974e-05% change) - large trace change predicted (0.000214674%) + iteration 47: trace = 6.746881977394062 (0.000193127% change) + linmin: converged after 9 iterations. + iteration 48: trace = 6.746874480932941 (0.00011111% change) linmin: converged after 3 iterations. - iteration 52: trace = 6.746841038003201 (0.000214562% change) + iteration 49: trace = 6.746868147961745 (9.38653e-05% change) linmin: converged after 3 iterations. - iteration 53: trace = 6.746840193670483 (1.25145e-05% change) - large trace change predicted (9.31738e-05%) - linmin: converged after 5 iterations. - iteration 54: trace = 6.746833910175999 (9.31324e-05% change) + iteration 50: trace = 6.746857504141738 (0.00015776% change) linmin: converged after 3 iterations. - iteration 55: trace = 6.746833185907565 (1.07349e-05% change) - large trace change predicted (5.96601e-05%) + iteration 51: trace = 6.746855516760419 (2.94564e-05% change) + large trace change predicted (0.000214729%) linmin: converged after 3 iterations. - iteration 56: trace = 6.746829162206959 (5.96384e-05% change) - linmin: converged after 4 iterations. - iteration 57: trace = 6.746828725866173 (6.46735e-06% change) - large trace change predicted (2.46907e-05%) - linmin: converged after 4 iterations. - iteration 58: trace = 6.746827060843097 (2.46786e-05% change) + iteration 52: trace = 6.746841036907512 (0.000214617% change) linmin: converged after 3 iterations. - iteration 59: trace = 6.746825889475502 (1.73618e-05% change) - linmin: converged after 6 iterations. - iteration 60: trace = 6.74682545200113 (6.48415e-06% change) - large trace change predicted (2.95707e-05%) + iteration 53: trace = 6.746840192648544 (1.25134e-05% change) + large trace change predicted (9.31862e-05%) linmin: converged after 3 iterations. - iteration 61: trace = 6.746823456747949 (2.95732e-05% change) + iteration 54: trace = 6.746833908318232 (9.31448e-05% change) linmin: converged after 3 iterations. - iteration 62: trace = 6.746823127121569 (4.88565e-06% change) - large trace change predicted (2.68461e-05%) - linmin: converged after 4 iterations. - iteration 63: trace = 6.74682131595374 (2.68448e-05% change) - linmin: converged after 5 iterations. - iteration 64: trace = 6.746821184315568 (1.95111e-06% change) - large trace change predicted (1.52571e-05%) - linmin: converged after 4 iterations. - iteration 65: trace = 6.746820154868746 (1.52583e-05% change) - linmin: converged after 8 iterations. - iteration 66: trace = 6.74682008163167 (1.08551e-06% change) - large trace change predicted (7.09045e-06%) - linmin: converged after 4 iterations. - iteration 67: trace = 6.746819603220008 (7.09092e-06% change) + iteration 55: trace = 6.746833184089479 (1.07344e-05% change) + large trace change predicted (5.96402e-05%) linmin: converged after 3 iterations. - iteration 68: trace = 6.746819452762287 (2.23005e-06% change) - linmin: converged after 4 iterations. - iteration 69: trace = 6.746819257111356 (2.8999e-06% change) - resetting CG direction... + iteration 56: trace = 6.746829161734561 (5.96184e-05% change) + linmin: converged after 3 iterations. + iteration 57: trace = 6.746828725754286 (6.462e-06% change) + large trace change predicted (2.46955e-05%) linmin: converged after 3 iterations. - iteration 70: trace = 6.746819148968335 (1.60287e-06% change) + iteration 58: trace = 6.746827060410604 (2.46834e-05% change) linmin: converged after 4 iterations. - iteration 71: trace = 6.746819008645379 (2.07984e-06% change) + iteration 59: trace = 6.746825889383149 (1.73567e-05% change) + linmin: converged after 5 iterations. + iteration 60: trace = 6.746825451518498 (6.48994e-06% change) + large trace change predicted (2.95706e-05%) linmin: converged after 3 iterations. - iteration 72: trace = 6.746818910115123 (1.4604e-06% change) + iteration 61: trace = 6.746823456272111 (2.95731e-05% change) + linmin: converged after 5 iterations. + iteration 62: trace = 6.746823126095898 (4.8938e-06% change) + large trace change predicted (2.68356e-05%) linmin: converged after 3 iterations. - iteration 73: trace = 6.746818744942249 (2.44816e-06% change) + iteration 63: trace = 6.746821315630596 (2.68343e-05% change) linmin: converged after 5 iterations. - iteration 74: trace = 6.746818616848882 (1.89857e-06% change) + iteration 64: trace = 6.746821183920582 (1.95218e-06% change) + large trace change predicted (1.5255e-05%) + linmin: converged after 3 iterations. + iteration 65: trace = 6.746820154610993 (1.52562e-05% change) + linmin: converged after 3 iterations. + iteration 66: trace = 6.746820081557235 (1.08279e-06% change) + large trace change predicted (7.09598e-06%) linmin: converged after 4 iterations. - iteration 75: trace = 6.746818399168993 (3.22641e-06% change) + iteration 67: trace = 6.746819602772622 (7.09645e-06% change) linmin: converged after 3 iterations. - iteration 76: trace = 6.746818285618526 (1.68302e-06% change) + iteration 68: trace = 6.746819452610932 (2.22567e-06% change) linmin: converged after 3 iterations. - iteration 77: trace = 6.746818109702566 (2.60739e-06% change) - linmin: converged after 5 iterations. - iteration 78: trace = 6.746818071150313 (5.71414e-07% change) - large trace change predicted (1.54215e-06%) + iteration 69: trace = 6.746819256547437 (2.90601e-06% change) + resetting CG direction... linmin: converged after 3 iterations. - iteration 79: trace = 6.746817967106427 (1.54212e-06% change) - linmin: converged after 6 iterations. - iteration 80: trace = 6.746817914962205 (7.72871e-07% change) + iteration 70: trace = 6.746819148307722 (1.60431e-06% change) + linmin: converged after 4 iterations. + iteration 71: trace = 6.746819008221149 (2.07634e-06% change) linmin: converged after 3 iterations. - iteration 81: trace = 6.746817907520573 (1.10298e-07% change) - large trace change predicted (1.26309e-06%) + iteration 72: trace = 6.746818909484907 (1.46345e-06% change) + linmin: converged after 2 iterations. + iteration 73: trace = 6.746818744970019 (2.43841e-06% change) linmin: converged after 3 iterations. - iteration 82: trace = 6.746817822299007 (1.26314e-06% change) + iteration 74: trace = 6.746818616842321 (1.89908e-06% change) + linmin: converged after 2 iterations. + iteration 75: trace = 6.746818399826575 (3.21656e-06% change) + linmin: converged after 4 iterations. + iteration 76: trace = 6.746818286536014 (1.67917e-06% change) + linmin: converged after 2 iterations. + iteration 77: trace = 6.746818109590635 (2.62265e-06% change) linmin: converged after 4 iterations. - iteration 83: trace = 6.746817816412691 (8.72458e-08% change) - large trace change predicted (1.121e-06%) + iteration 78: trace = 6.746818071105969 (5.70412e-07% change) + large trace change predicted (1.54172e-06%) + linmin: converged after 30 iterations. + iteration 79: trace = 6.74681796709103 (1.54169e-06% change) + linmin: converged after 5 iterations. + iteration 80: trace = 6.746817914093366 (7.85521e-07% change) linmin: converged after 17 iterations. - iteration 84: trace = 6.746817740783988 (1.12095e-06% change) + iteration 81: trace = 6.74681790689913 (1.06632e-07% change) + large trace change predicted (1.26824e-06%) linmin: converged after 5 iterations. - iteration 85: trace = 6.746817736291042 (6.65936e-08% change) - large trace change predicted (5.27588e-07%) - linmin: converged after 4 iterations. - iteration 86: trace = 6.746817700696071 (5.27582e-07% change) - linmin: converged after 2 iterations. - iteration 87: trace = 6.746817697537579 (4.68145e-08% change) - large trace change predicted (2.42189e-07%) + iteration 82: trace = 6.746817821330031 (1.26829e-06% change) + linmin: converged after 8 iterations. + iteration 83: trace = 6.746817815520055 (8.61143e-08% change) + large trace change predicted (1.11856e-06%) + linmin: converged after 16 iterations. + iteration 84: trace = 6.746817740056234 (1.11851e-06% change) linmin: converged after 3 iterations. - iteration 88: trace = 6.746817681197692 (2.42187e-07% change) + iteration 85: trace = 6.746817736158835 (5.77665e-08% change) + large trace change predicted (5.32551e-07%) + linmin: converged after 4 iterations. + iteration 86: trace = 6.746817700229022 (5.32545e-07% change) + linmin: converged after 13 iterations. + iteration 87: trace = 6.74681769759766 (3.90015e-08% change) + large trace change predicted (2.46333e-07%) + linmin: converged after 4 iterations. + iteration 88: trace = 6.746817680978154 (2.46331e-07% change) linmin: converged after 10 iterations. - iteration 89: trace = 6.746817679551438 (2.44004e-08% change) - large trace change predicted (2.00116e-07%) + iteration 89: trace = 6.74681767953624 (2.13718e-08% change) + large trace change predicted (2.01114e-07%) linmin: converged after 4 iterations. - iteration 90: trace = 6.746817666050124 (2.00114e-07% change) - linmin: converged after 7 iterations. - iteration 91: trace = 6.746817665195209 (1.26714e-08% change) - large trace change predicted (1.41807e-07%) + iteration 90: trace = 6.74681766596757 (2.01112e-07% change) + linmin: converged after 26 iterations. + iteration 91: trace = 6.746817665122645 (1.25233e-08% change) + large trace change predicted (1.40296e-07%) + linmin: converged after 10 iterations. + iteration 92: trace = 6.746817655657228 (1.40295e-07% change) + linmin: converged after 6 iterations. + iteration 93: trace = 6.746817651979445 (5.45114e-08% change) + linmin: converged after 15 iterations. + iteration 94: trace = 6.746817646233403 (8.51667e-08% change) linmin: converged after 4 iterations. - iteration 92: trace = 6.746817655627826 (1.41806e-07% change) - linmin: converged after 17 iterations. - iteration 93: trace = 6.746817651729666 (5.77778e-08% change) - linmin: converged after 3 iterations. - iteration 94: trace = 6.746817646131488 (8.29751e-08% change) + iteration 95: trace = 6.746817642530078 (5.48899e-08% change) + linmin: converged after 4 iterations. + iteration 96: trace = 6.746817637891131 (6.87576e-08% change) + linmin: converged after 21 iterations. + iteration 97: trace = 6.746817632301978 (8.28413e-08% change) + linmin: converged after 4 iterations. + iteration 98: trace = 6.746817629978743 (3.44345e-08% change) linmin: converged after 22 iterations. - iteration 95: trace = 6.746817644277099 (2.74854e-08% change) - large trace change predicted (9.75244e-08%) + iteration 99: trace = 6.746817626301047 (5.45101e-08% change) + linmin: converged after 4 iterations. + iteration 100: trace = 6.746817626003295 (4.41321e-09% change) + large trace change predicted (2.72924e-08%) + linmin: converged after 4 iterations. + iteration 101: trace = 6.74681762416192 (2.72925e-08% change) + linmin: converged after 4 iterations. + iteration 102: trace = 6.746817624044564 (1.73943e-09% change) + large trace change predicted (1.5369e-08%) linmin: converged after 6 iterations. - iteration 96: trace = 6.746817637697275 (9.75249e-08% change) - linmin: converged after 3 iterations. - iteration 97: trace = 6.746817631613324 (9.01751e-08% change) + iteration 103: trace = 6.746817623007635 (1.53692e-08% change) + linmin: converged after 6 iterations. + iteration 104: trace = 6.746817622866734 (2.0884e-09% change) + large trace change predicted (1.59011e-08%) + linmin: converged after 6 iterations. + iteration 105: trace = 6.746817621793918 (1.59011e-08% change) linmin: converged after 4 iterations. - iteration 98: trace = 6.746817629969141 (2.43698e-08% change) - large trace change predicted (5.62167e-08%) - linmin: converged after 7 iterations. - iteration 99: trace = 6.746817626176255 (5.62174e-08% change) + iteration 106: trace = 6.74681762170204 (1.36179e-09% change) + large trace change predicted (1.75219e-08%) + linmin: converged after 6 iterations. + iteration 107: trace = 6.746817620519884 (1.75217e-08% change) + linmin: converged after 15 iterations. + iteration 108: trace = 6.746817620365404 (2.28967e-09% change) + large trace change predicted (1.06141e-08%) + linmin: converged after 17 iterations. + iteration 109: trace = 6.74681761964928 (1.06142e-08% change) linmin: converged after 4 iterations. - iteration 100: trace = 6.746817625998658 (2.6323e-09% change) - large trace change predicted (2.67258e-08%) - linmin: converged after 5 iterations. - iteration 101: trace = 6.746817624195511 (2.67259e-08% change) - linmin: converged after 18 iterations. - iteration 102: trace = 6.746817624092343 (1.52914e-09% change) - large trace change predicted (1.60312e-08%) - linmin: converged after 7 iterations. - iteration 103: trace = 6.746817623010754 (1.60311e-08% change) + iteration 110: trace = 6.746817619519349 (1.92582e-09% change) + large trace change predicted (4.47073e-09%) + linmin: converged after 24 iterations. + iteration 111: trace = 6.746817619217712 (4.4708e-09% change) + linmin: converged after 9 iterations. + iteration 112: trace = 6.746817619086835 (1.93983e-09% change) + linmin: converged after 6 iterations. + iteration 113: trace = 6.746817619023496 (9.38806e-10% change) + large trace change predicted (2.03361e-09%) + linmin: converged after 15 iterations. + iteration 114: trace = 6.74681761888629 (2.03364e-09% change) linmin: converged after 4 iterations. - iteration 104: trace = 6.746817622436037 (8.51834e-09% change) + iteration 115: trace = 6.746817618787494 (1.46433e-09% change) linmin: converged after 4 iterations. - iteration 105: trace = 6.746817621785468 (9.64261e-09% change) - linmin: converged after 5 iterations. - iteration 106: trace = 6.74681762145442 (4.90673e-09% change) - large trace change predicted (1.3825e-08%) - linmin: converged after 11 iterations. - iteration 107: trace = 6.746817620521669 (1.3825e-08% change) - linmin: converged after 3 iterations. - iteration 108: trace = 6.74681762035762 (2.43151e-09% change) - large trace change predicted (1.04639e-08%) - linmin: converged after 3 iterations. - iteration 109: trace = 6.746817619651639 (1.04639e-08% change) - linmin: converged after 21 iterations. - iteration 110: trace = 6.746817619527318 (1.84265e-09% change) - large trace change predicted (4.56389e-09%) - linmin: converged after 5 iterations. - iteration 111: trace = 6.746817619219398 (4.56393e-09% change) - linmin: converged after 21 iterations. - iteration 112: trace = 6.746817619050921 (2.49714e-09% change) + iteration 116: trace = 6.746817618658286 (1.91509e-09% change) linmin: converged after 13 iterations. - iteration 113: trace = 6.746817619023888 (4.00672e-10% change) - large trace change predicted (3.13756e-09%) - linmin: converged after 8 iterations. - iteration 114: trace = 6.746817618812205 (3.13753e-09% change) - linmin: converged after 30 iterations. - iteration 115: trace = 6.746817618787656 (3.63864e-10% change) - large trace change predicted (2.92371e-09%) + iteration 117: trace = 6.746817618584156 (1.09874e-09% change) linmin: converged after 4 iterations. - iteration 116: trace = 6.746817618590385 (2.92391e-09% change) - linmin: converged after 13 iterations. - iteration 117: trace = 6.746817618580838 (1.41504e-10% change) - large trace change predicted (1.13475e-09%) - linmin: converged after 6 iterations. - iteration 118: trace = 6.746817618504276 (1.13478e-09% change) - linmin: converged after 14 iterations. - iteration 119: trace = 6.746817618454823 (7.32981e-10% change) + iteration 118: trace = 6.746817618507179 (1.14095e-09% change) + linmin: converged after 15 iterations. + iteration 119: trace = 6.746817618495481 (1.73388e-10% change) + large trace change predicted (1.2166e-09%) + linmin: converged after 24 iterations. + iteration 120: trace = 6.746817618413397 (1.21663e-09% change) + linmin: converged after 3 iterations. + iteration 121: trace = 6.746817618387932 (3.77437e-10% change) + large trace change predicted (1.48072e-09%) + linmin: converged after 10 iterations. + iteration 122: trace = 6.746817618288032 (1.48071e-09% change) + linmin: converged after 16 iterations. + iteration 123: trace = 6.746817618258794 (4.33346e-10% change) + large trace change predicted (8.70466e-10%) linmin: converged after 4 iterations. - iteration 120: trace = 6.746817618415577 (5.81696e-10% change) - large trace change predicted (1.74193e-09%) + iteration 124: trace = 6.746817618200068 (8.7043e-10% change) + linmin: converged after 7 iterations. + iteration 125: trace = 6.746817618185872 (2.10407e-10% change) + linmin: converged after 2 iterations. + iteration 126: trace = 6.746817618168015 (2.64684e-10% change) + linmin: converged after 20 iterations. + iteration 127: trace = 6.746817618148208 (2.93566e-10% change) + linmin: converged after 5 iterations. + iteration 128: trace = 6.746817618140209 (1.18559e-10% change) + linmin: converged after 11 iterations. + iteration 129: trace = 6.746817618131555 (1.28274e-10% change) + linmin: converged after 5 iterations. + iteration 130: trace = 6.746817618121923 (1.42768e-10% change) linmin: converged after 4 iterations. - iteration 121: trace = 6.746817618298057 (1.74186e-09% change) - linmin: converged after 6 iterations. - iteration 122: trace = 6.746817618288061 (1.48165e-10% change) - large trace change predicted (1.20878e-09%) + iteration 131: trace = 6.746817618110366 (1.71295e-10% change) linmin: converged after 3 iterations. - iteration 123: trace = 6.746817618206498 (1.20891e-09% change) - linmin: converged after 18 iterations. - iteration 124: trace = 6.746817618200175 (9.37174e-11% change) -Finished solving for bands 1 to 8 after 124 iterations. + iteration 132: trace = 6.746817618104743 (8.33439e-11% change) +Finished solving for bands 1 to 8 after 132 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.114855, 0.645572, 0.76138, 0.812, 0.980404, 1.09879, 1.19545, 1.21663 -elapsed time for k point: 1.9192192554473877 +elapsed time for k point: 8.948851823806763 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 3 iterations. - iteration 1: trace = 6.925815589740352 (0.213086% change) + iteration 1: trace = 6.925814501351083 (0.213094% change) linmin: converged after 5 iterations. - iteration 2: trace = 6.912657451418982 (0.190167% change) + iteration 2: trace = 6.912656404658285 (0.190167% change) linmin: converged after 3 iterations. - iteration 3: trace = 6.904259207642106 (0.121565% change) + iteration 3: trace = 6.904258244262573 (0.121563% change) linmin: converged after 5 iterations. - iteration 4: trace = 6.896683306528804 (0.109788% change) + iteration 4: trace = 6.89668247585696 (0.109786% change) linmin: converged after 3 iterations. - iteration 5: trace = 6.893478340658833 (0.0464819% change) + iteration 5: trace = 6.893477599072289 (0.0464806% change) linmin: converged after 4 iterations. - iteration 6: trace = 6.890275249404994 (0.0464763% change) + iteration 6: trace = 6.890274679241983 (0.0464738% change) linmin: converged after 4 iterations. - iteration 7: trace = 6.88746232226138 (0.0408329% change) + iteration 7: trace = 6.887461836013372 (0.0408317% change) linmin: converged after 4 iterations. - iteration 8: trace = 6.882497665665549 (0.0721085% change) + iteration 8: trace = 6.882497273505065 (0.0721071% change) linmin: converged after 4 iterations. - iteration 9: trace = 6.879291206270548 (0.0465995% change) + iteration 9: trace = 6.879290873729836 (0.0465986% change) linmin: converged after 4 iterations. - iteration 10: trace = 6.875157179961427 (0.0601118% change) + iteration 10: trace = 6.875156896496438 (0.0601111% change) linmin: converged after 4 iterations. - iteration 11: trace = 6.872798467860802 (0.0343136% change) + iteration 11: trace = 6.87279820047869 (0.0343134% change) linmin: converged after 3 iterations. - iteration 12: trace = 6.870795223905797 (0.0291517% change) + iteration 12: trace = 6.870794993599612 (0.0291511% change) linmin: converged after 4 iterations. - iteration 13: trace = 6.868396093380295 (0.0349239% change) + iteration 13: trace = 6.86839588124298 (0.0349236% change) linmin: converged after 4 iterations. - iteration 14: trace = 6.866214612792483 (0.0317662% change) + iteration 14: trace = 6.86621439543604 (0.0317663% change) linmin: converged after 3 iterations. - iteration 15: trace = 6.864840271539301 (0.020018% change) + iteration 15: trace = 6.864840061619899 (0.0200179% change) linmin: converged after 4 iterations. - iteration 16: trace = 6.864049240915596 (0.0115236% change) - large trace change predicted (0.0249863%) + iteration 16: trace = 6.86404903688808 (0.0115235% change) + large trace change predicted (0.0249855%) linmin: converged after 3 iterations. - iteration 17: trace = 6.862313424264353 (0.0252917% change) + iteration 17: trace = 6.862313276741772 (0.0252909% change) linmin: converged after 3 iterations. - iteration 18: trace = 6.860715394507212 (0.0232898% change) + iteration 18: trace = 6.860715225067475 (0.0232901% change) linmin: converged after 3 iterations. - iteration 19: trace = 6.859968989175805 (0.01088% change) + iteration 19: trace = 6.859968810369181 (0.0108801% change) linmin: converged after 3 iterations. - iteration 20: trace = 6.859392109237456 (0.00840972% change) + iteration 20: trace = 6.859391948776378 (0.00840945% change) linmin: converged after 3 iterations. - iteration 21: trace = 6.858827626036319 (0.00822969% change) + iteration 21: trace = 6.858827502386823 (0.00822915% change) linmin: converged after 3 iterations. - iteration 22: trace = 6.858164505689224 (0.0096686% change) + iteration 22: trace = 6.858164412221264 (0.00966816% change) linmin: converged after 3 iterations. - iteration 23: trace = 6.857406250653263 (0.0110568% change) + iteration 23: trace = 6.8574061463638 (0.011057% change) linmin: converged after 3 iterations. - iteration 24: trace = 6.85683287536164 (0.00836175% change) + iteration 24: trace = 6.856832784705677 (0.00836155% change) linmin: converged after 3 iterations. - iteration 25: trace = 6.856491631888686 (0.00497682% change) + iteration 25: trace = 6.856491555818605 (0.0049766% change) linmin: converged after 3 iterations. - iteration 26: trace = 6.856252250422006 (0.00349137% change) + iteration 26: trace = 6.856252194099968 (0.00349108% change) + linmin: converged after 5 iterations. + iteration 27: trace = 6.856048890321551 (0.00296528% change) linmin: converged after 3 iterations. - iteration 27: trace = 6.85604893183505 (0.00296549% change) + iteration 28: trace = 6.85580037404466 (0.00362484% change) + linmin: converged after 4 iterations. + iteration 29: trace = 6.855651394740724 (0.00217306% change) linmin: converged after 3 iterations. - iteration 28: trace = 6.855800417232196 (0.00362482% change) + iteration 30: trace = 6.855512431347841 (0.00202701% change) linmin: converged after 3 iterations. - iteration 29: trace = 6.855651439140903 (0.00217305% change) + iteration 31: trace = 6.855355716886951 (0.00228599% change) linmin: converged after 3 iterations. - iteration 30: trace = 6.855512464226376 (0.00202718% change) + iteration 32: trace = 6.855230958685601 (0.00181988% change) linmin: converged after 3 iterations. - iteration 31: trace = 6.855355734278182 (0.00228621% change) + iteration 33: trace = 6.855155358118168 (0.00110282% change) linmin: converged after 3 iterations. - iteration 32: trace = 6.855230972393667 (0.00181994% change) + iteration 34: trace = 6.855094916687857 (0.000881697% change) linmin: converged after 3 iterations. - iteration 33: trace = 6.855155374530219 (0.00110278% change) - linmin: converged after 4 iterations. - iteration 34: trace = 6.855094933253942 (0.000881695% change) + iteration 35: trace = 6.855025217302242 (0.00101676% change) linmin: converged after 3 iterations. - iteration 35: trace = 6.855025229467456 (0.00101682% change) + iteration 36: trace = 6.854917688111232 (0.00156863% change) linmin: converged after 3 iterations. - iteration 36: trace = 6.854917696537447 (0.00156869% change) + iteration 37: trace = 6.854865488658787 (0.000761492% change) linmin: converged after 3 iterations. - iteration 37: trace = 6.85486549815063 (0.000761476% change) - linmin: converged after 5 iterations. - iteration 38: trace = 6.854810992220552 (0.000795145% change) - linmin: converged after 4 iterations. - iteration 39: trace = 6.854754440769444 (0.000824993% change) + iteration 38: trace = 6.854810981144769 (0.000795168% change) linmin: converged after 4 iterations. - iteration 40: trace = 6.85469886899431 (0.000810707% change) - linmin: converged after 4 iterations. - iteration 41: trace = 6.854636662939932 (0.000907499% change) + iteration 39: trace = 6.854754429047762 (0.000825002% change) linmin: converged after 3 iterations. - iteration 42: trace = 6.854585365974754 (0.000748357% change) + iteration 40: trace = 6.85469886030196 (0.000810663% change) linmin: converged after 4 iterations. - iteration 43: trace = 6.854557548022263 (0.000405831% change) - linmin: converged after 3 iterations. - iteration 44: trace = 6.854534994185942 (0.000329035% change) + iteration 41: trace = 6.854636654870471 (0.00090749% change) + linmin: converged after 5 iterations. + iteration 42: trace = 6.854585360100376 (0.000748325% change) + linmin: converged after 4 iterations. + iteration 43: trace = 6.854557541648663 (0.000405838% change) linmin: converged after 3 iterations. - iteration 45: trace = 6.85450785550156 (0.000395924% change) + iteration 44: trace = 6.854534987668371 (0.000329037% change) linmin: converged after 3 iterations. - iteration 46: trace = 6.854474005050851 (0.000493843% change) + iteration 45: trace = 6.854507849357278 (0.000395918% change) + linmin: converged after 5 iterations. + iteration 46: trace = 6.854474000058912 (0.000493827% change) linmin: converged after 3 iterations. - iteration 47: trace = 6.854448914649447 (0.000366045% change) + iteration 47: trace = 6.854448910811188 (0.000366028% change) linmin: converged after 4 iterations. - iteration 48: trace = 6.854430745914645 (0.000265065% change) + iteration 48: trace = 6.854430742747671 (0.000265055% change) linmin: converged after 4 iterations. - iteration 49: trace = 6.854409553926399 (0.000309173% change) + iteration 49: trace = 6.854409551733237 (0.000309158% change) linmin: converged after 4 iterations. - iteration 50: trace = 6.85438682062453 (0.00033166% change) + iteration 50: trace = 6.854386819130596 (0.00033165% change) + linmin: converged after 5 iterations. + iteration 51: trace = 6.854372356323921 (0.000211001% change) + linmin: converged after 5 iterations. + iteration 52: trace = 6.854363722039491 (0.000125968% change) linmin: converged after 3 iterations. - iteration 51: trace = 6.854372357809184 (0.000211001% change) + iteration 53: trace = 6.854355940059986 (0.000113533% change) linmin: converged after 3 iterations. - iteration 52: trace = 6.854363723374869 (0.00012597% change) - linmin: converged after 4 iterations. - iteration 53: trace = 6.854355940929942 (0.00011354% change) + iteration 54: trace = 6.854348218300211 (0.000112655% change) linmin: converged after 3 iterations. - iteration 54: trace = 6.85434821874854 (0.000112661% change) + iteration 55: trace = 6.854341814921534 (9.34207e-05% change) linmin: converged after 3 iterations. - iteration 55: trace = 6.854341815286637 (9.34219e-05% change) - linmin: converged after 4 iterations. - iteration 56: trace = 6.854336867721653 (7.21815e-05% change) - linmin: converged after 5 iterations. - iteration 57: trace = 6.854332981607654 (5.66957e-05% change) - linmin: converged after 4 iterations. - iteration 58: trace = 6.854328856576943 (6.01814e-05% change) + iteration 56: trace = 6.854336867237444 (7.21832e-05% change) + linmin: converged after 3 iterations. + iteration 57: trace = 6.85433298116808 (5.66951e-05% change) linmin: converged after 4 iterations. - iteration 59: trace = 6.854325493483163 (4.90653e-05% change) + iteration 58: trace = 6.854328856294301 (6.01791e-05% change) + linmin: converged after 3 iterations. + iteration 59: trace = 6.854325493289173 (4.9064e-05% change) linmin: converged after 2 iterations. - iteration 60: trace = 6.854320731159143 (6.94791e-05% change) + iteration 60: trace = 6.85432073103672 (6.94781e-05% change) linmin: converged after 2 iterations. - iteration 61: trace = 6.854317900868841 (4.12921e-05% change) - linmin: converged after 3 iterations. - iteration 62: trace = 6.854316466823581 (2.09218e-05% change) + iteration 61: trace = 6.854317900614196 (4.1294e-05% change) linmin: converged after 4 iterations. - iteration 63: trace = 6.854314812695256 (2.41327e-05% change) + iteration 62: trace = 6.854316466543221 (2.09222e-05% change) + linmin: converged after 4 iterations. + iteration 63: trace = 6.854314812347939 (2.41336e-05% change) + linmin: converged after 4 iterations. + iteration 64: trace = 6.854312707978698 (3.07014e-05% change) linmin: converged after 5 iterations. - iteration 64: trace = 6.854312708151092 (3.07039e-05% change) + iteration 65: trace = 6.854310570271323 (3.11878e-05% change) linmin: converged after 4 iterations. - iteration 65: trace = 6.854310570389338 (3.11886e-05% change) + iteration 66: trace = 6.85430927565853 (1.88876e-05% change) + linmin: converged after 5 iterations. + iteration 67: trace = 6.854307864025197 (2.05948e-05% change) + linmin: converged after 5 iterations. + iteration 68: trace = 6.854306225836218 (2.39001e-05% change) linmin: converged after 3 iterations. - iteration 66: trace = 6.85430927581082 (1.88871e-05% change) - linmin: converged after 4 iterations. - iteration 67: trace = 6.854307864176373 (2.05948e-05% change) + iteration 69: trace = 6.854304757603082 (2.14206e-05% change) + resetting CG direction... linmin: converged after 3 iterations. - iteration 68: trace = 6.854306225951006 (2.39007e-05% change) + iteration 70: trace = 6.854304291821544 (6.79546e-06% change) + linmin: converged after 2 iterations. + iteration 71: trace = 6.854303980842349 (4.53699e-06% change) + linmin: converged after 2 iterations. + iteration 72: trace = 6.854303707009342 (3.99505e-06% change) linmin: converged after 4 iterations. - iteration 69: trace = 6.854304757710064 (2.14207e-05% change) - resetting CG direction... + iteration 73: trace = 6.854303306241274 (5.84696e-06% change) linmin: converged after 4 iterations. - iteration 70: trace = 6.854304291924876 (6.79551e-06% change) - linmin: converged after 2 iterations. - iteration 71: trace = 6.854303980931975 (4.53719e-06% change) + iteration 74: trace = 6.854303028460466 (4.05265e-06% change) + linmin: converged after 7 iterations. + iteration 75: trace = 6.854302857021207 (2.50119e-06% change) linmin: converged after 2 iterations. - iteration 72: trace = 6.854303707086157 (3.99524e-06% change) - linmin: converged after 6 iterations. - iteration 73: trace = 6.854303306312968 (5.84703e-06% change) + iteration 76: trace = 6.854302716417727 (2.05132e-06% change) linmin: converged after 3 iterations. - iteration 74: trace = 6.854303028530163 (4.05268e-06% change) - linmin: converged after 6 iterations. - iteration 75: trace = 6.85430285708269 (2.50131e-06% change) - linmin: converged after 2 iterations. - iteration 76: trace = 6.85430271647393 (2.05139e-06% change) - linmin: converged after 28 iterations. - iteration 77: trace = 6.854302589384792 (1.85415e-06% change) + iteration 77: trace = 6.854302589329386 (1.85414e-06% change) linmin: converged after 4 iterations. - iteration 78: trace = 6.854302422075683 (2.44094e-06% change) - linmin: converged after 2 iterations. - iteration 79: trace = 6.854302178708359 (3.55058e-06% change) + iteration 78: trace = 6.854302422025167 (2.44086e-06% change) linmin: converged after 2 iterations. - iteration 80: trace = 6.854302043218789 (1.97671e-06% change) + iteration 79: trace = 6.854302178651515 (3.55067e-06% change) + linmin: converged after 3 iterations. + iteration 80: trace = 6.854302043161901 (1.97671e-06% change) linmin: converged after 5 iterations. - iteration 81: trace = 6.854301959912175 (1.21539e-06% change) - linmin: converged after 6 iterations. - iteration 82: trace = 6.854301838226057 (1.77532e-06% change) + iteration 81: trace = 6.854301959864828 (1.21525e-06% change) linmin: converged after 4 iterations. - iteration 83: trace = 6.854301701178418 (1.99944e-06% change) - linmin: converged after 7 iterations. - iteration 84: trace = 6.854301574170723 (1.85296e-06% change) + iteration 82: trace = 6.854301838191892 (1.77513e-06% change) + linmin: converged after 8 iterations. + iteration 83: trace = 6.85430170114456 (1.99944e-06% change) linmin: converged after 3 iterations. - iteration 85: trace = 6.854301492777619 (1.18747e-06% change) + iteration 84: trace = 6.854301574127996 (1.85309e-06% change) + linmin: converged after 12 iterations. + iteration 85: trace = 6.854301492732548 (1.18751e-06% change) linmin: converged after 2 iterations. - iteration 86: trace = 6.854301369197436 (1.80296e-06% change) - linmin: converged after 3 iterations. - iteration 87: trace = 6.854301206123752 (2.37914e-06% change) + iteration 86: trace = 6.854301369173282 (1.80265e-06% change) linmin: converged after 3 iterations. - iteration 88: trace = 6.854301115069514 (1.32842e-06% change) - linmin: converged after 8 iterations. - iteration 89: trace = 6.85430106142502 (7.8264e-07% change) + iteration 87: trace = 6.854301206109308 (2.379e-06% change) linmin: converged after 2 iterations. - iteration 90: trace = 6.854301010593968 (7.41594e-07% change) - linmin: converged after 4 iterations. - iteration 91: trace = 6.85430095417636 (8.23098e-07% change) + iteration 88: trace = 6.854301115047639 (1.32853e-06% change) + linmin: converged after 10 iterations. + iteration 89: trace = 6.854301061404255 (7.82624e-07% change) + linmin: converged after 5 iterations. + iteration 90: trace = 6.854301010580891 (7.41481e-07% change) linmin: converged after 3 iterations. - iteration 92: trace = 6.854300910084266 (6.43276e-07% change) - linmin: converged after 11 iterations. - iteration 93: trace = 6.854300884311806 (3.76004e-07% change) + iteration 91: trace = 6.854300954170029 (8.22999e-07% change) + linmin: converged after 19 iterations. + iteration 92: trace = 6.854300910079848 (6.43248e-07% change) + linmin: converged after 3 iterations. + iteration 93: trace = 6.85430088430667 (3.76015e-07% change) linmin: converged after 2 iterations. - iteration 94: trace = 6.854300873286673 (1.6085e-07% change) + iteration 94: trace = 6.854300873282572 (1.60835e-07% change) + linmin: converged after 5 iterations. + iteration 95: trace = 6.854300863330487 (1.45195e-07% change) + linmin: converged after 5 iterations. + iteration 96: trace = 6.85430085229784 (1.60959e-07% change) linmin: converged after 3 iterations. - iteration 95: trace = 6.854300863332568 (1.45224e-07% change) - linmin: converged after 4 iterations. - iteration 96: trace = 6.854300852298006 (1.60987e-07% change) + iteration 97: trace = 6.854300845288521 (1.02262e-07% change) + linmin: converged after 7 iterations. + iteration 98: trace = 6.854300839716533 (8.12919e-08% change) linmin: converged after 3 iterations. - iteration 97: trace = 6.854300845287994 (1.02272e-07% change) - linmin: converged after 4 iterations. - iteration 98: trace = 6.85430083971744 (8.12709e-08% change) + iteration 99: trace = 6.854300833161191 (9.56384e-08% change) + linmin: converged after 19 iterations. + iteration 100: trace = 6.854300824995721 (1.19129e-07% change) linmin: converged after 4 iterations. - iteration 99: trace = 6.854300833154365 (9.57512e-08% change) + iteration 101: trace = 6.854300821487415 (5.1184e-08% change) linmin: converged after 2 iterations. - iteration 100: trace = 6.85430082495542 (1.19618e-07% change) - linmin: converged after 5 iterations. - iteration 101: trace = 6.854300821454061 (5.10827e-08% change) + iteration 102: trace = 6.854300819424227 (3.01006e-08% change) linmin: converged after 4 iterations. - iteration 102: trace = 6.85430081941635 (2.97289e-08% change) - linmin: converged after 7 iterations. - iteration 103: trace = 6.854300816198153 (4.69515e-08% change) + iteration 103: trace = 6.854300816198597 (4.70599e-08% change) linmin: converged after 6 iterations. - iteration 104: trace = 6.854300810981886 (7.61021e-08% change) - linmin: converged after 4 iterations. - iteration 105: trace = 6.854300805513756 (7.97766e-08% change) - linmin: converged after 2 iterations. - iteration 106: trace = 6.854300800838592 (6.82077e-08% change) + iteration 104: trace = 6.854300810981424 (7.61153e-08% change) linmin: converged after 4 iterations. - iteration 107: trace = 6.854300798699084 (3.12141e-08% change) - linmin: converged after 11 iterations. - iteration 108: trace = 6.854300795827652 (4.18924e-08% change) - large trace change predicted (8.57014e-08%) + iteration 105: trace = 6.854300805522967 (7.96355e-08% change) linmin: converged after 3 iterations. - iteration 109: trace = 6.854300789953402 (8.57017e-08% change) - linmin: converged after 12 iterations. - iteration 110: trace = 6.854300784489385 (7.97166e-08% change) + iteration 106: trace = 6.854300800976924 (6.63239e-08% change) linmin: converged after 3 iterations. - iteration 111: trace = 6.854300782589322 (2.77207e-08% change) + iteration 107: trace = 6.85430079886701 (3.07823e-08% change) + linmin: converged after 6 iterations. + iteration 108: trace = 6.85430079591268 (4.31018e-08% change) + large trace change predicted (8.6927e-08%) linmin: converged after 4 iterations. - iteration 112: trace = 6.854300780944767 (2.3993e-08% change) + iteration 109: trace = 6.854300789954406 (8.69275e-08% change) linmin: converged after 4 iterations. - iteration 113: trace = 6.854300777947171 (4.37331e-08% change) - linmin: converged after 2 iterations. - iteration 114: trace = 6.854300776043421 (2.77745e-08% change) - linmin: converged after 23 iterations. - iteration 115: trace = 6.854300775108526 (1.36395e-08% change) - linmin: converged after 14 iterations. - iteration 116: trace = 6.854300773907577 (1.75211e-08% change) - linmin: converged after 15 iterations. - iteration 117: trace = 6.854300773061912 (1.23377e-08% change) - linmin: converged after 2 iterations. - iteration 118: trace = 6.854300772493293 (8.2958e-09% change) - linmin: converged after 2 iterations. - iteration 119: trace = 6.85430077209776 (5.77057e-09% change) - linmin: converged after 15 iterations. - iteration 120: trace = 6.854300771871914 (3.29495e-09% change) + iteration 110: trace = 6.854300784527387 (7.91768e-08% change) + linmin: converged after 25 iterations. + iteration 111: trace = 6.854300782683122 (2.69067e-08% change) linmin: converged after 4 iterations. - iteration 121: trace = 6.854300771709916 (2.36346e-09% change) + iteration 112: trace = 6.854300781174361 (2.20119e-08% change) + large trace change predicted (4.61708e-08%) linmin: converged after 3 iterations. - iteration 122: trace = 6.854300771420593 (4.22105e-09% change) + iteration 113: trace = 6.854300778009715 (4.61702e-08% change) linmin: converged after 2 iterations. - iteration 123: trace = 6.854300771299132 (1.77203e-09% change) + iteration 114: trace = 6.854300776149172 (2.71442e-08% change) + linmin: converged after 6 iterations. + iteration 115: trace = 6.854300775214091 (1.36423e-08% change) linmin: converged after 4 iterations. - iteration 124: trace = 6.854300771230592 (9.99967e-10% change) - linmin: converged after 2 iterations. - iteration 125: trace = 6.854300771169991 (8.84122e-10% change) - linmin: converged after 14 iterations. - iteration 126: trace = 6.854300771102302 (9.8754e-10% change) - linmin: converged after 3 iterations. - iteration 127: trace = 6.854300771046526 (8.13748e-10% change) + iteration 116: trace = 6.85430077392737 (1.87725e-08% change) + linmin: converged after 13 iterations. + iteration 117: trace = 6.854300773069257 (1.25193e-08% change) + linmin: converged after 7 iterations. + iteration 118: trace = 6.854300772513826 (8.1034e-09% change) linmin: converged after 3 iterations. - iteration 128: trace = 6.854300771013546 (4.81155e-10% change) + iteration 119: trace = 6.854300772122364 (5.71119e-09% change) + linmin: converged after 14 iterations. + iteration 120: trace = 6.854300771875654 (3.59934e-09% change) + linmin: converged after 14 iterations. + iteration 121: trace = 6.854300771711817 (2.39029e-09% change) linmin: converged after 4 iterations. - iteration 129: trace = 6.854300770988935 (3.59052e-10% change) + iteration 122: trace = 6.854300771438888 (3.98186e-09% change) + linmin: converged after 5 iterations. + iteration 123: trace = 6.854300771304189 (1.96518e-09% change) + linmin: converged after 22 iterations. + iteration 124: trace = 6.854300771230696 (1.07221e-09% change) + linmin: converged after 2 iterations. + iteration 125: trace = 6.85430077117027 (8.81583e-10% change) + linmin: converged after 5 iterations. + iteration 126: trace = 6.854300771104631 (9.57633e-10% change) linmin: converged after 3 iterations. - iteration 130: trace = 6.854300770974049 (2.17176e-10% change) + iteration 127: trace = 6.85430077104779 (8.29271e-10% change) + linmin: converged after 4 iterations. + iteration 128: trace = 6.854300771013716 (4.9712e-10% change) linmin: converged after 6 iterations. - iteration 131: trace = 6.854300770966527 (1.09741e-10% change) + iteration 129: trace = 6.854300770988882 (3.62318e-10% change) + linmin: converged after 3 iterations. + iteration 130: trace = 6.854300770973647 (2.22268e-10% change) + linmin: converged after 7 iterations. + iteration 131: trace = 6.854300770966134 (1.09611e-10% change) linmin: converged after 3 iterations. - iteration 132: trace = 6.854300770959911 (9.65239e-11% change) + iteration 132: trace = 6.854300770959895 (9.10168e-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: 1.4031519889831543 -Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4165291233037562 at Vector3<0.5, 0.5, 0.0> -Band 2 range: 0.4732823234872546 at Vector3<0.5, 0.0, 0.0> to 0.6699867281290579 at Vector3<0.0, 0.0, 0.0> -Band 3 range: 0.6301802646818522 at Vector3<0.5, 0.5, 0.0> to 0.8037365323032282 at Vector3<0.5, 0.0, 0.0> -Band 4 range: 0.7017932556977567 at Vector3<0.5, 0.5, 0.0> to 0.8863448167711838 at Vector3<0.5, 0.1, 0.0> -Band 5 range: 0.9047498485810481 at Vector3<0.5, 0.1, 0.0> to 1.0557468193007027 at Vector3<0.5, 0.5, 0.0> -Band 6 range: 1.0077925606102744 at Vector3<0.19999999999999996, 0.19999999999999996, 0.0> to 1.181540374434172 at Vector3<0.0, 0.0, 0.0> -Band 7 range: 1.12242425197598 at Vector3<0.2, 0.0, 0.0> to 1.2351567679228732 at Vector3<0.3, 0.3, 0.0> -Band 8 range: 1.2059728636717604 at Vector3<0.0, 0.0, 0.0> to 1.3135062523605918 at Vector3<0.30000000000000004, 0.0, 0.0> -Gap from band 1 (0.4165291233037562) to band 2 (0.4732823234872546), 12.756230634742094% -Gap from band 4 (0.8863448167711838) to band 5 (0.9047498485810481), 2.055171305671308% -total elapsed time for run: 33.62090086936951 +elapsed time for k point: 8.114489793777466 +Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4165291233041937 at Vector3<0.5, 0.5, 0.0> +Band 2 range: 0.47328232348726035 at Vector3<0.5, 0.0, 0.0> to 0.6699867281290515 at Vector3<0.0, 0.0, 0.0> +Band 3 range: 0.6301802646852765 at Vector3<0.5, 0.5, 0.0> to 0.8037365323033597 at Vector3<0.5, 0.0, 0.0> +Band 4 range: 0.7017932556965409 at Vector3<0.5, 0.5, 0.0> to 0.8863448167711816 at Vector3<0.5, 0.1, 0.0> +Band 5 range: 0.9047498485810733 at Vector3<0.5, 0.1, 0.0> to 1.0557468192937203 at Vector3<0.5, 0.5, 0.0> +Band 6 range: 1.0077925606103444 at Vector3<0.19999999999999996, 0.19999999999999996, 0.0> to 1.181540374434172 at Vector3<0.0, 0.0, 0.0> +Band 7 range: 1.12242425197598 at Vector3<0.2, 0.0, 0.0> to 1.2351567679235937 at Vector3<0.3, 0.3, 0.0> +Band 8 range: 1.2059728636717568 at Vector3<0.0, 0.0, 0.0> to 1.3135062523605918 at Vector3<0.30000000000000004, 0.0, 0.0> +Gap from band 1 (0.4165291233041937) to band 2 (0.47328232348726035), 12.756230634638694% +Gap from band 4 (0.8863448167711816) to band 5 (0.9047498485810733), 2.0551713056743437% +total elapsed time for run: 116.33640718460083 done mu: 1-5, mean 1.50265, harm. mean 1.12084, 14.5508% > 1, 12.5663% "fill" -Outputting /tmp/meepNmMUdV/test_run_te_with_mu_material-0-mu.h5... +Outputting /tmp/meep1SOGmO/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/meepNmMUdV/test_run_te_with_mu_material-0: 33.63s +./tmp/meep1SOGmO/test_run_te_with_mu_material-0: 116.40s -/tmp/meepNmMUdV/test_run_tm-0 +/tmp/meep1SOGmO/test_run_tm-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -81293,7 +77384,7 @@ 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: 0.004347324371337891 +elapsed time for initialization: 0.002890348434448242 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... @@ -81429,7 +77520,7 @@ iteration 61: trace = 4.373720851032911 (3.63295e-11% change) Finished solving for bands 2 to 8 after 61 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.546027, 0.552094, 0.552096, 0.812093, 0.854314, 0.951107, 1.08259 -elapsed time for k point: 0.3429901599884033 +elapsed time for k point: 1.5094540119171143 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -81480,7 +77571,7 @@ iteration 23: trace = 4.290857263081686 (9.13875e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0643671, 0.518896, 0.552617, 0.579095, 0.812721, 0.852958, 0.941428, 1.04995 -elapsed time for k point: 0.18526315689086914 +elapsed time for k point: 0.6565494537353516 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -81511,7 +77602,7 @@ iteration 13: trace = 4.208307958519127 (3.8665e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.126061, 0.48795, 0.553991, 0.610359, 0.812384, 0.849484, 0.912816, 1.02959 -elapsed time for k point: 0.10601520538330078 +elapsed time for k point: 0.3632526397705078 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -81542,7 +77633,7 @@ iteration 13: trace = 4.150444015828809 (1.02932e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.181523, 0.45665, 0.555709, 0.644685, 0.802314, 0.845326, 0.880698, 1.025 -elapsed time for k point: 0.10645055770874023 +elapsed time for k point: 0.36789655685424805 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -81573,7 +77664,7 @@ iteration 13: trace = 4.119598598621691 (1.07368e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.224302, 0.429317, 0.557116, 0.682524, 0.772176, 0.842059, 0.865404, 1.0269 -elapsed time for k point: 0.10958981513977051 +elapsed time for k point: 0.4117245674133301 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -81604,7 +77695,7 @@ iteration 13: trace = 4.110777242725125 (6.69573e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.241821, 0.417114, 0.557658, 0.713395, 0.741311, 0.84083, 0.862516, 1.02856 -elapsed time for k point: 0.10620760917663574 +elapsed time for k point: 0.404193639755249 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -81633,7 +77724,7 @@ iteration 12: trace = 4.099489964274799 (2.50671e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.245235, 0.4236, 0.551085, 0.711571, 0.749855, 0.841982, 0.862609, 1.01714 -elapsed time for k point: 0.09961462020874023 +elapsed time for k point: 0.36968493461608887 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -81660,7 +77751,7 @@ iteration 11: trace = 4.07945289580348 (8.21458e-11% change) Finished solving for bands 1 to 8 after 11 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.25442, 0.441321, 0.535034, 0.706018, 0.772267, 0.845818, 0.862861, 0.989395 -elapsed time for k point: 0.0906074047088623 +elapsed time for k point: 0.3540995121002197 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -81689,7 +77780,7 @@ iteration 12: trace = 4.068759276129137 (1.19188e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.266397, 0.465222, 0.516482, 0.697068, 0.802974, 0.853388, 0.863228, 0.954203 -elapsed time for k point: 0.09762883186340332 +elapsed time for k point: 0.3687622547149658 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -81722,7 +77813,7 @@ iteration 14: trace = 4.075526949349669 (2.60644e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.276774, 0.48701, 0.501823, 0.687264, 0.837704, 0.86397, 0.865932, 0.916273 -elapsed time for k point: 0.11365914344787598 +elapsed time for k point: 2.189422845840454 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -81757,7 +77848,7 @@ iteration 15: trace = 4.092150433618242 (9.10284e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.280948, 0.496196, 0.496197, 0.682617, 0.859474, 0.878316, 0.878316, 0.879351 -elapsed time for k point: 0.12153816223144531 +elapsed time for k point: 0.08719754219055176 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -81794,7 +77885,7 @@ iteration 16: trace = 4.046652183676479 (2.14217e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.27141, 0.485365, 0.501693, 0.689111, 0.830636, 0.844978, 0.893706, 0.898991 -elapsed time for k point: 0.1299295425415039 +elapsed time for k point: 0.09448766708374023 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -81823,7 +77914,7 @@ iteration 12: trace = 4.04451323639685 (3.20398e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.236529, 0.473888, 0.515941, 0.679199, 0.819377, 0.829518, 0.897603, 0.933446 -elapsed time for k point: 0.09831953048706055 +elapsed time for k point: 0.0917654037475586 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -81852,7 +77943,7 @@ iteration 12: trace = 4.113415259755486 (2.54788e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.172884, 0.482973, 0.533242, 0.640233, 0.819202, 0.838111, 0.910409, 0.976551 -elapsed time for k point: 0.09810757637023926 +elapsed time for k point: 0.09739470481872559 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -81885,7 +77976,7 @@ iteration 14: trace = 4.240749642028247 (2.11324e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0904174, 0.510404, 0.546943, 0.593803, 0.81373, 0.851132, 0.935551, 1.02882 -elapsed time for k point: 0.11387085914611816 +elapsed time for k point: 0.08220911026000977 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. @@ -82017,7 +78108,7 @@ iteration 59: trace = 4.373720851594716 (8.84783e-11% change) Finished solving for bands 2 to 8 after 59 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.546027, 0.552094, 0.552096, 0.812093, 0.854314, 0.951107, 1.08259 -.elapsed time for k point: 0.33121299743652344 +.elapsed time for k point: 0.33095383644104004 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2809479535253731 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.41711424932466257 at Vector3<0.5, 0.0, 0.0> to 0.5460267793370305 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.4961974527654614 at Vector3<0.5, 0.5, 0.0> to 0.5576576362977227 at Vector3<0.5, 0.0, 0.0> @@ -82028,11 +78119,11 @@ Band 8 range: 0.8793510958294791 at Vector3<0.5, 0.5, 0.0> to 1.0825923841452936 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.2809479535253731) to band 2 (0.41711424932466257), 39.01265395643889% Gap from band 4 (0.7133951516423507) to band 5 (0.7413109657068669), 3.838000504924635% -total elapsed time for run: 2.2577426433563232 +total elapsed time for run: 7.783986568450928 done -/tmp/meepNmMUdV/test_run_tm-0: 2.26s +/tmp/meep1SOGmO/test_run_tm-0: 7.81s -/tmp/meepNmMUdV/test_set_eigenvectors-0 +/tmp/meep1SOGmO/test_set_eigenvectors-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -82075,7 +78166,7 @@ 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: 0.003815174102783203 +elapsed time for initialization: 0.002406597137451172 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... @@ -82186,7 +78277,7 @@ iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.317812442779541 +elapsed time for k point: 0.40419507026672363 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -82437,7 +78528,7 @@ iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.983041524887085 +elapsed time for k point: 2.504580497741699 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -82494,7 +78585,7 @@ iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.21207904815673828 +elapsed time for k point: 0.6621921062469482 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -82547,7 +78638,7 @@ iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.21391677856445312 +elapsed time for k point: 3.6726365089416504 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -82608,7 +78699,7 @@ iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.2740206718444824 +elapsed time for k point: 0.6833930015563965 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -82701,7 +78792,7 @@ iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.36249208450317383 +elapsed time for k point: 0.9113385677337646 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -82772,7 +78863,7 @@ iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.2747359275817871 +elapsed time for k point: 0.9017183780670166 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -82833,7 +78924,7 @@ iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.23066258430480957 +elapsed time for k point: 0.4798166751861572 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -82886,7 +78977,7 @@ iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.19510316848754883 +elapsed time for k point: 0.5468838214874268 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -82938,7 +79029,7 @@ iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.19672489166259766 +elapsed time for k point: 0.5358314514160156 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -82990,7 +79081,7 @@ iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.21799445152282715 +elapsed time for k point: 0.6739850044250488 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -83031,7 +79122,7 @@ iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.15027785301208496 +elapsed time for k point: 0.3497750759124756 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -83078,7 +79169,7 @@ iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.17656397819519043 +elapsed time for k point: 4.319822311401367 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -83141,7 +79232,7 @@ iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.237532377243042 +elapsed time for k point: 0.20778632164001465 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -83214,7 +79305,7 @@ iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.2803986072540283 +elapsed time for k point: 1.3480901718139648 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -83409,7 +79500,7 @@ iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.5320980548858643 +elapsed time for k point: 2.1040380001068115 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> @@ -83421,7 +79512,7 @@ Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% -total elapsed time for run: 4.861855506896973 +total elapsed time for run: 20.330973863601685 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -83463,7 +79554,7 @@ 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: 0.003849029541015625 +elapsed time for initialization: 0.002638578414916992 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... @@ -83574,7 +79665,7 @@ iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.29343128204345703 +elapsed time for k point: 1.191070556640625 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -83825,7 +79916,7 @@ iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.9608862400054932 +elapsed time for k point: 6.321990013122559 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -83882,7 +79973,7 @@ iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.21217846870422363 +elapsed time for k point: 0.899688720703125 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -83935,7 +80026,7 @@ iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.1944584846496582 +elapsed time for k point: 0.716832160949707 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -83996,7 +80087,7 @@ iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.22603154182434082 +elapsed time for k point: 0.7340171337127686 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -84089,7 +80180,7 @@ iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.5018579959869385 +elapsed time for k point: 3.837937355041504 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -84160,7 +80251,7 @@ iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.27268147468566895 +elapsed time for k point: 0.6913986206054688 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -84221,7 +80312,7 @@ iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.22774744033813477 +elapsed time for k point: 0.587522029876709 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -84274,7 +80365,7 @@ iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.19571828842163086 +elapsed time for k point: 0.5465488433837891 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -84326,7 +80417,7 @@ iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.19107913970947266 +elapsed time for k point: 0.5640285015106201 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -84378,7 +80469,7 @@ iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.18797707557678223 +elapsed time for k point: 0.6398711204528809 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -84419,7 +80510,7 @@ iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.14780402183532715 +elapsed time for k point: 0.29581546783447266 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -84466,7 +80557,7 @@ iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.17058372497558594 +elapsed time for k point: 0.35302233695983887 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -84529,7 +80620,7 @@ iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.23752951622009277 +elapsed time for k point: 0.5106906890869141 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -84602,7 +80693,7 @@ iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.2786555290222168 +elapsed time for k point: 1.019869089126587 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -84797,7 +80888,7 @@ iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.5832257270812988 +elapsed time for k point: 5.34798526763916 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> @@ -84809,7 +80900,7 @@ Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% -total elapsed time for run: 4.88822078704834 +total elapsed time for run: 24.263136863708496 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -84851,7 +80942,7 @@ 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: 0.003827810287475586 +elapsed time for initialization: 0.002548694610595703 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... @@ -84962,7 +81053,7 @@ iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.3084237575531006 +elapsed time for k point: 1.4390170574188232 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -85213,7 +81304,7 @@ iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 1.7914106845855713 +elapsed time for k point: 6.360957860946655 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85270,7 +81361,7 @@ iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.3923788070678711 +elapsed time for k point: 0.569580078125 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85323,7 +81414,7 @@ iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.3395047187805176 +elapsed time for k point: 0.5116853713989258 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85384,7 +81475,7 @@ iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.22811555862426758 +elapsed time for k point: 0.7119710445404053 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85477,7 +81568,7 @@ iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.48661088943481445 +elapsed time for k point: 1.0130877494812012 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -85548,7 +81639,7 @@ iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.4352529048919678 +elapsed time for k point: 0.31003236770629883 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85609,7 +81700,7 @@ iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.458329439163208 +elapsed time for k point: 0.31775355339050293 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85662,7 +81753,7 @@ iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.22827649116516113 +elapsed time for k point: 0.15995287895202637 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85714,7 +81805,7 @@ iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.5039863586425781 +elapsed time for k point: 0.16102957725524902 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85766,7 +81857,7 @@ iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.24033355712890625 +elapsed time for k point: 0.16765379905700684 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85807,7 +81898,7 @@ iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.308835506439209 +elapsed time for k point: 0.12095069885253906 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85854,7 +81945,7 @@ iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.2792477607727051 +elapsed time for k point: 0.1908259391784668 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85917,7 +82008,7 @@ iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.39280152320861816 +elapsed time for k point: 0.30967164039611816 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85990,7 +82081,7 @@ iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.4319274425506592 +elapsed time for k point: 0.45049190521240234 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -86054,154 +82145,91 @@ linmin: converged after 4 iterations. iteration 29: trace = 5.552555837785826 (0.00644437% change) linmin: converged after 4 iterations. + switching to approximate line minimization (decrease time by 99.8983%) iteration 30: trace = 5.552254969621722 (0.0054187% change) - linmin: converged after 4 iterations. - iteration 31: trace = 5.551980060557256 (0.00495143% change) - linmin: converged after 4 iterations. - iteration 32: trace = 5.551718956583287 (0.00470301% change) - linmin: converged after 4 iterations. - iteration 33: trace = 5.551473590067667 (0.00441975% change) - linmin: converged after 4 iterations. - iteration 34: trace = 5.551249526417464 (0.00403619% change) - linmin: converged after 4 iterations. - iteration 35: trace = 5.551047677046615 (0.00363617% change) - linmin: converged after 4 iterations. - iteration 36: trace = 5.550864324825069 (0.00330307% change) - linmin: converged after 4 iterations. - iteration 37: trace = 5.550695188730021 (0.00304707% change) - linmin: converged after 3 iterations. - iteration 38: trace = 5.550537717614253 (0.002837% change) - linmin: converged after 3 iterations. - iteration 39: trace = 5.550390744693352 (0.00264794% change) - linmin: converged after 3 iterations. - iteration 40: trace = 5.550253430259206 (0.00247399% change) - linmin: converged after 3 iterations. - iteration 41: trace = 5.550124903241969 (0.00231572% change) - linmin: converged after 4 iterations. - iteration 42: trace = 5.550004421559369 (0.00217082% change) - linmin: converged after 3 iterations. - iteration 43: trace = 5.549891461428066 (0.00203534% change) - linmin: converged after 3 iterations. - iteration 44: trace = 5.549785756475371 (0.00190465% change) - linmin: converged after 3 iterations. - iteration 45: trace = 5.549687477092357 (0.00177088% change) - linmin: converged after 3 iterations. - iteration 46: trace = 5.549597231059002 (0.00162616% change) - linmin: converged after 3 iterations. - iteration 47: trace = 5.549515437514302 (0.00147388% change) - linmin: converged after 3 iterations. - iteration 48: trace = 5.549441430505917 (0.00133358% change) - linmin: converged after 3 iterations. - iteration 49: trace = 5.549373300133808 (0.00122771% change) - linmin: converged after 3 iterations. - iteration 50: trace = 5.549308831509652 (0.00116173% change) - linmin: converged after 3 iterations. - iteration 51: trace = 5.549246789252495 (0.00111802% change) - linmin: converged after 3 iterations. - iteration 52: trace = 5.549187392702872 (0.00107036% change) - linmin: converged after 3 iterations. - iteration 53: trace = 5.549131424282619 (0.00100859% change) - linmin: converged after 3 iterations. - iteration 54: trace = 5.549078953950442 (0.000945564% change) - linmin: converged after 3 iterations. - iteration 55: trace = 5.549029214246225 (0.000896364% change) - linmin: converged after 3 iterations. - iteration 56: trace = 5.54898160326973 (0.000858009% change) - linmin: converged after 3 iterations. - iteration 57: trace = 5.54893644131103 (0.000813882% change) - linmin: converged after 3 iterations. - iteration 58: trace = 5.548894438355841 (0.000756958% change) - linmin: converged after 3 iterations. - iteration 59: trace = 5.54885547219858 (0.000702235% change) - linmin: converged after 3 iterations. - iteration 60: trace = 5.548818214181233 (0.000671456% change) - linmin: converged after 3 iterations. - iteration 61: trace = 5.548780940356195 (0.000671746% change) - linmin: converged after 4 iterations. - iteration 62: trace = 5.548742718995132 (0.000688827% change) - linmin: converged after 3 iterations. - iteration 63: trace = 5.548704069980684 (0.000696539% change) - linmin: converged after 3 iterations. - iteration 64: trace = 5.548666460443484 (0.00067781% change) - linmin: converged after 3 iterations. - iteration 65: trace = 5.548631157812784 (0.000636238% change) - linmin: converged after 3 iterations. - iteration 66: trace = 5.548598782737487 (0.00058348% change) - linmin: converged after 3 iterations. - iteration 67: trace = 5.548569723773046 (0.000523719% change) - linmin: converged after 4 iterations. - iteration 68: trace = 5.548544403250723 (0.000456344% change) - linmin: converged after 5 iterations. - iteration 69: trace = 5.54852291959788 (0.000387195% change) - resetting CG direction... - large trace change predicted (0.00347725%) - linmin: converged after 5 iterations. - iteration 70: trace = 5.548329976694497 (0.00347743% change) - linmin: converged after 8 iterations. - iteration 71: trace = 5.548232222528725 (0.00176188% change) - linmin: converged after 4 iterations. - iteration 72: trace = 5.548180081080814 (0.000939789% change) - linmin: converged after 5 iterations. - iteration 73: trace = 5.548158373786155 (0.000391251% change) - linmin: converged after 4 iterations. - iteration 74: trace = 5.548148375773417 (0.000180204% change) - linmin: converged after 3 iterations. - iteration 75: trace = 5.548144673473507 (6.67304e-05% change) - linmin: converged after 3 iterations. - iteration 76: trace = 5.548141864891512 (5.0622e-05% change) - linmin: converged after 3 iterations. - iteration 77: trace = 5.548138837044793 (5.45741e-05% change) - linmin: converged after 3 iterations. - iteration 78: trace = 5.548134589429233 (7.65593e-05% change) - linmin: converged after 4 iterations. - iteration 79: trace = 5.548128746381331 (0.000105316% change) - linmin: converged after 4 iterations. - iteration 80: trace = 5.548123649319518 (9.187e-05% change) - linmin: converged after 4 iterations. - iteration 81: trace = 5.548120939113862 (4.88491e-05% change) - linmin: converged after 6 iterations. - iteration 82: trace = 5.548119009802553 (3.47741e-05% change) - linmin: converged after 3 iterations. - iteration 83: trace = 5.548118262534253 (1.34689e-05% change) - linmin: converged after 5 iterations. - iteration 84: trace = 5.548117907881999 (6.3923e-06% change) - linmin: converged after 2 iterations. - iteration 85: trace = 5.54811780201584 (1.90815e-06% change) - linmin: converged after 2 iterations. - iteration 86: trace = 5.54811774168687 (1.08738e-06% change) - linmin: converged after 3 iterations. - iteration 87: trace = 5.548117729428171 (2.20952e-07% change) - linmin: converged after 27 iterations. - iteration 88: trace = 5.548117726415593 (5.42991e-08% change) - linmin: converged after 15 iterations. - iteration 89: trace = 5.548117725588878 (1.49008e-08% change) - linmin: converged after 2 iterations. - iteration 90: trace = 5.548117725372818 (3.89429e-09% change) - linmin: converged after 6 iterations. - iteration 91: trace = 5.548117725334787 (6.85474e-10% change) - linmin: converged after 15 iterations. - iteration 92: trace = 5.548117725327039 (1.39659e-10% change) - linmin: converged after 3 iterations. - iteration 93: trace = 5.548117725324989 (3.6948e-11% change) + iteration 31: trace = 5.551980395423399 (0.0049454% change) + iteration 32: trace = 5.551702968123532 (0.00499703% change) + iteration 33: trace = 5.551442815980307 (0.0046861% change) + iteration 34: trace = 5.551205647244752 (0.00427229% change) + iteration 35: trace = 5.550992932387018 (0.00383194% change) + iteration 36: trace = 5.550800836534767 (0.00346063% change) + iteration 37: trace = 5.550624663001832 (0.00317389% change) + iteration 38: trace = 5.5504615023852 (0.00293954% change) + iteration 39: trace = 5.550310027471775 (0.00272909% change) + iteration 40: trace = 5.550169422172518 (0.00253332% change) + iteration 41: trace = 5.550038871627715 (0.00235222% change) + iteration 42: trace = 5.549917546112917 (0.00218605% change) + iteration 43: trace = 5.549804673703655 (0.00203379% change) + iteration 44: trace = 5.549699710520716 (0.00189131% change) + iteration 45: trace = 5.549602612240065 (0.00174963% change) + iteration 46: trace = 5.549513832616595 (0.00159976% change) + iteration 47: trace = 5.549433693713063 (0.00144408% change) + iteration 48: trace = 5.549361493340598 (0.00130105% change) + iteration 49: trace = 5.549295310766458 (0.00119262% change) + iteration 50: trace = 5.549232914257534 (0.00112441% change) + iteration 51: trace = 5.549173049496098 (0.0010788% change) + iteration 52: trace = 5.549115918506017 (0.00102955% change) + iteration 53: trace = 5.549062279273326 (0.000966631% change) + iteration 54: trace = 5.549012174628157 (0.000902943% change) + iteration 55: trace = 5.548964835160092 (0.000853119% change) + iteration 56: trace = 5.548919685828973 (0.000813657% change) + iteration 57: trace = 5.548877046072201 (0.000768436% change) + iteration 58: trace = 5.548837546031619 (0.000711859% change) + iteration 59: trace = 5.548800956564943 (0.00065941% change) + iteration 60: trace = 5.54876591968817 (0.000631433% change) + iteration 61: trace = 5.54873078435522 (0.000633212% change) + iteration 62: trace = 5.548694727413165 (0.000649825% change) + iteration 63: trace = 5.548658318602927 (0.000656171% change) + iteration 64: trace = 5.548622977837919 (0.000636927% change) + iteration 65: trace = 5.548589892006106 (0.000596291% change) + iteration 66: trace = 5.548559641334738 (0.000545197% change) + iteration 67: trace = 5.548532606815511 (0.000487236% change) + iteration 68: trace = 5.548509182095314 (0.00042218% change) + iteration 69: trace = 5.548489403526896 (0.000356467% change) + resetting CG direction... + iteration 70: trace = 5.548313844511768 (0.00316414% change) + iteration 71: trace = 5.548223804405922 (0.00162285% change) + iteration 72: trace = 5.548176211986592 (0.000857799% change) + iteration 73: trace = 5.548156784603655 (0.000350159% change) + iteration 74: trace = 5.548147715778989 (0.000163457% change) + iteration 75: trace = 5.548144239643367 (6.2654e-05% change) + iteration 76: trace = 5.548141511401814 (4.9174e-05% change) + iteration 77: trace = 5.548138420243857 (5.57152e-05% change) + iteration 78: trace = 5.548134033078372 (7.90746e-05% change) + iteration 79: trace = 5.548128146849127 (0.000106094% change) + iteration 80: trace = 5.548123097103304 (9.10172e-05% change) + iteration 81: trace = 5.54812058617911 (4.52572e-05% change) + iteration 82: trace = 5.548118887201065 (3.06226e-05% change) + iteration 83: trace = 5.548118217768688 (1.20659e-05% change) + iteration 84: trace = 5.54811789268843 (5.85929e-06% change) + iteration 85: trace = 5.548117794661644 (1.76685e-06% change) + iteration 86: trace = 5.548117739531572 (9.93672e-07% change) + iteration 87: trace = 5.548117728795257 (1.93513e-07% change) + iteration 88: trace = 5.548117726253321 (4.58162e-08% change) + iteration 89: trace = 5.548117725559562 (1.25044e-08% change) + iteration 90: trace = 5.548117725368565 (3.44256e-09% change) + iteration 91: trace = 5.548117725333809 (6.26434e-10% change) + iteration 92: trace = 5.548117725326756 (1.27141e-10% change) + iteration 93: trace = 5.548117725324841 (3.44986e-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: 1.287567377090454 +.elapsed time for k point: 4.815310716629028 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> -Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> +Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069725 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0> -Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0> +Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855737 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% -total elapsed time for run: 8.119327545166016 +total elapsed time for run: 17.614810943603516 done -/tmp/meepNmMUdV/test_set_eigenvectors-0: 17.87s +/tmp/meep1SOGmO/test_set_eigenvectors-0: 62.24s -/tmp/meepNmMUdV/test_sq_rods-0 +/tmp/meep1SOGmO/test_sq_rods-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -86244,7 +82272,7 @@ 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: 0.003924369812011719 +elapsed time for initialization: 0.010784626007080078 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... @@ -86343,7 +82371,7 @@ iteration 46: trace = 5.62886416901306 (5.91397e-11% change) Finished solving for bands 2 to 8 after 46 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.561945, 0.780843, 0.780846, 0.924372, 1.00804, 1.00804, 1.09859 -elapsed time for k point: 0.33641695976257324 +elapsed time for k point: 1.0511555671691895 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -86622,7 +82650,7 @@ iteration 134: trace = 5.638515195759914 (7.1262e-11% change) Finished solving for bands 1 to 8 after 134 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897998, 0.56021, 0.767785, 0.782438, 0.912603, 1.00889, 1.00949, 1.11586 -elapsed time for k point: 1.5678038597106934 +elapsed time for k point: 7.509153127670288 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -86681,7 +82709,7 @@ iteration 27: trace = 5.59517927181656 (4.68442e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178853, 0.553301, 0.732522, 0.786672, 0.890463, 1.01386, 1.02078, 1.11301 -elapsed time for k point: 0.42028045654296875 +elapsed time for k point: 0.7696833610534668 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -86730,7 +82758,7 @@ iteration 22: trace = 5.577903304673051 (5.95367e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.266124, 0.534865, 0.689376, 0.79205, 0.872926, 1.0209, 1.04285, 1.10753 -elapsed time for k point: 0.26560521125793457 +elapsed time for k point: 0.6358270645141602 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -86789,7 +82817,7 @@ iteration 27: trace = 5.594031416858376 (7.94656e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.349588, 0.49478, 0.658508, 0.796524, 0.862684, 1.02898, 1.07044, 1.10003 -elapsed time for k point: 0.24540019035339355 +elapsed time for k point: 0.7890622615814209 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -86892,7 +82920,7 @@ iteration 48: trace = 5.637414337940067 (7.79403e-11% change) Finished solving for bands 1 to 8 after 48 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.413346, 0.444623, 0.648672, 0.798265, 0.859327, 1.03311, 1.0958, 1.09742 -elapsed time for k point: 0.3750946521759033 +elapsed time for k point: 1.5069341659545898 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -86963,7 +82991,7 @@ iteration 33: trace = 5.518941371312554 (7.71351e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.424298, 0.448983, 0.644549, 0.802551, 0.854853, 0.98984, 1.05831, 1.11679 -elapsed time for k point: 0.257460355758667 +elapsed time for k point: 0.23221325874328613 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -87022,7 +83050,7 @@ iteration 27: trace = 5.342524465514539 (5.98157e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.455354, 0.461161, 0.63323, 0.814782, 0.834251, 0.934558, 1.01274, 1.12367 -elapsed time for k point: 0.2118232250213623 +elapsed time for k point: 0.16320562362670898 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -87073,7 +83101,7 @@ iteration 23: trace = 5.199556238067974 (9.55215e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.478427, 0.501912, 0.61745, 0.784489, 0.83371, 0.906541, 0.967734, 1.12636 -elapsed time for k point: 0.25922679901123047 +elapsed time for k point: 0.1343221664428711 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -87125,7 +83153,7 @@ iteration 23: trace = 5.11008677019096 (3.55439e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.495605, 0.556867, 0.601739, 0.720584, 0.858432, 0.897772, 0.926611, 1.12762 -elapsed time for k point: 0.18212485313415527 +elapsed time for k point: 0.13586974143981934 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -87175,7 +83203,7 @@ iteration 22: trace = 5.079827770073009 (8.13026e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.503606, 0.594344, 0.594357, 0.679389, 0.883665, 0.895782, 0.895787, 1.12801 -elapsed time for k point: 0.3218264579772949 +elapsed time for k point: 0.19112062454223633 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -87216,7 +83244,7 @@ iteration 18: trace = 5.139784911490274 (2.67329e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.474671, 0.549917, 0.608032, 0.745035, 0.848355, 0.895854, 0.945891, 1.12708 -elapsed time for k point: 0.26329493522644043 +elapsed time for k point: 0.2076265811920166 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -87261,7 +83289,7 @@ iteration 20: trace = 5.307924174329596 (7.08143e-11% change) Finished solving for bands 1 to 8 after 20 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.373254, 0.543225, 0.646251, 0.817389, 0.830457, 0.896516, 1.0176, 1.12198 -elapsed time for k point: 0.15856599807739258 +elapsed time for k point: 0.23759055137634277 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -87318,7 +83346,7 @@ iteration 26: trace = 5.515690777956149 (3.99993e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252369, 0.551073, 0.700804, 0.797552, 0.899586, 0.90339, 1.08791, 1.10099 -elapsed time for k point: 0.2847280502319336 +elapsed time for k point: 0.3099684715270996 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -87393,7 +83421,7 @@ iteration 35: trace = 5.620307970788173 (8.51309e-11% change) Finished solving for bands 1 to 8 after 35 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.12694, 0.558854, 0.755651, 0.785047, 0.909884, 0.968813, 1.04814, 1.11332 -elapsed time for k point: 0.5573029518127441 +elapsed time for k point: 3.6399054527282715 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -87431,159 +83459,159 @@ linmin: converged after 6 iterations. iteration 16: trace = 5.648626313452138 (0.0829615% change) linmin: converged after 5 iterations. - iteration 17: trace = 5.64382136340905 (0.0851002% change) + iteration 17: trace = 5.643821363409049 (0.0851002% change) linmin: converged after 5 iterations. - iteration 18: trace = 5.638869397659225 (0.0877799% change) - linmin: converged after 6 iterations. - iteration 19: trace = 5.635889317550872 (0.0528629% change) - linmin: converged after 7 iterations. - iteration 20: trace = 5.633934894998956 (0.0346842% change) + iteration 18: trace = 5.638869397659223 (0.0877799% change) + linmin: converged after 5 iterations. + iteration 19: trace = 5.635889317550877 (0.0528629% change) + linmin: converged after 11 iterations. + iteration 20: trace = 5.633934894998681 (0.0346842% change) linmin: converged after 4 iterations. - iteration 21: trace = 5.632971468096913 (0.0171019% change) + iteration 21: trace = 5.632971468096789 (0.0171019% change) linmin: converged after 4 iterations. - iteration 22: trace = 5.632161076526172 (0.0143876% change) + iteration 22: trace = 5.63216107652609 (0.0143876% change) linmin: converged after 4 iterations. - iteration 23: trace = 5.631516240217539 (0.0114498% change) + iteration 23: trace = 5.631516240217442 (0.0114498% change) linmin: converged after 4 iterations. - iteration 24: trace = 5.630961940343088 (0.0098433% change) + iteration 24: trace = 5.630961940342996 (0.0098433% change) linmin: converged after 4 iterations. - iteration 25: trace = 5.630499098063129 (0.00821993% change) + iteration 25: trace = 5.630499098063058 (0.00821993% change) linmin: converged after 4 iterations. - iteration 26: trace = 5.63012261962082 (0.00668664% change) + iteration 26: trace = 5.630122619620746 (0.00668664% change) linmin: converged after 3 iterations. - iteration 27: trace = 5.629867621853739 (0.00452927% change) + iteration 27: trace = 5.629867621853688 (0.00452927% change) linmin: converged after 3 iterations. - iteration 28: trace = 5.629720051219762 (0.00262124% change) + iteration 28: trace = 5.629720051219722 (0.00262124% change) linmin: converged after 3 iterations. - iteration 29: trace = 5.629605777063893 (0.00202986% change) + iteration 29: trace = 5.629605777063844 (0.00202986% change) linmin: converged after 3 iterations. - iteration 30: trace = 5.629504361182908 (0.00180149% change) + iteration 30: trace = 5.629504361182864 (0.00180149% change) linmin: converged after 3 iterations. - iteration 31: trace = 5.629394147465852 (0.00195781% change) + iteration 31: trace = 5.629394147465816 (0.00195781% change) linmin: converged after 4 iterations. - iteration 32: trace = 5.629290226406036 (0.00184606% change) + iteration 32: trace = 5.629290226406005 (0.00184606% change) linmin: converged after 4 iterations. - iteration 33: trace = 5.629198024992228 (0.0016379% change) + iteration 33: trace = 5.629198024992199 (0.0016379% change) linmin: converged after 3 iterations. - iteration 34: trace = 5.629133733964292 (0.00114211% change) + iteration 34: trace = 5.629133733964276 (0.00114211% change) linmin: converged after 3 iterations. - iteration 35: trace = 5.629086222971256 (0.000844023% change) + iteration 35: trace = 5.62908622297124 (0.000844023% change) linmin: converged after 3 iterations. - iteration 36: trace = 5.629045867570204 (0.000716911% change) + iteration 36: trace = 5.629045867570187 (0.000716911% change) linmin: converged after 3 iterations. - iteration 37: trace = 5.629010408060275 (0.00062994% change) + iteration 37: trace = 5.629010408060253 (0.00062994% change) linmin: converged after 3 iterations. - iteration 38: trace = 5.62897900457247 (0.000557888% change) + iteration 38: trace = 5.62897900457245 (0.000557888% change) linmin: converged after 3 iterations. - iteration 39: trace = 5.62895246854367 (0.000471419% change) - linmin: converged after 4 iterations. - iteration 40: trace = 5.628932212763319 (0.000359851% change) + iteration 39: trace = 5.628952468543664 (0.000471419% change) linmin: converged after 3 iterations. - iteration 41: trace = 5.628917703762922 (0.000257758% change) + iteration 40: trace = 5.628932212763313 (0.000359851% change) + linmin: converged after 3 iterations. + iteration 41: trace = 5.628917703762905 (0.000257758% change) linmin: converged after 4 iterations. - iteration 42: trace = 5.628904770133662 (0.000229771% change) + iteration 42: trace = 5.628904770133663 (0.000229771% change) linmin: converged after 4 iterations. - iteration 43: trace = 5.628894295239233 (0.000186091% change) + iteration 43: trace = 5.628894295239232 (0.000186091% change) linmin: converged after 4 iterations. - iteration 44: trace = 5.628885548977002 (0.000155382% change) + iteration 44: trace = 5.628885548977001 (0.000155382% change) linmin: converged after 4 iterations. - iteration 45: trace = 5.628880125204436 (9.63561e-05% change) - linmin: converged after 5 iterations. - iteration 46: trace = 5.628876480396275 (6.47519e-05% change) + iteration 45: trace = 5.628880125204432 (9.63561e-05% change) linmin: converged after 4 iterations. - iteration 47: trace = 5.628873855273834 (4.66367e-05% change) + iteration 46: trace = 5.628876480396267 (6.47519e-05% change) linmin: converged after 5 iterations. - iteration 48: trace = 5.628871914588441 (3.44773e-05% change) + iteration 47: trace = 5.628873855273834 (4.66367e-05% change) + linmin: converged after 4 iterations. + iteration 48: trace = 5.628871914588438 (3.44773e-05% change) linmin: converged after 5 iterations. - iteration 49: trace = 5.62887017345587 (3.09322e-05% change) - linmin: converged after 6 iterations. - iteration 50: trace = 5.628868872043183 (2.31203e-05% change) + iteration 49: trace = 5.628870173455866 (3.09322e-05% change) linmin: converged after 5 iterations. - iteration 51: trace = 5.628867792579709 (1.91773e-05% change) + iteration 50: trace = 5.628868872043185 (2.31203e-05% change) linmin: converged after 4 iterations. - iteration 52: trace = 5.628867067350911 (1.28841e-05% change) - linmin: converged after 6 iterations. - iteration 53: trace = 5.628866472395092 (1.05697e-05% change) - linmin: converged after 5 iterations. - iteration 54: trace = 5.628866038918492 (7.70096e-06% change) + iteration 51: trace = 5.628867792579706 (1.91773e-05% change) + linmin: converged after 4 iterations. + iteration 52: trace = 5.628867067350905 (1.28841e-05% change) + linmin: converged after 4 iterations. + iteration 53: trace = 5.628866472395086 (1.05697e-05% change) + linmin: converged after 4 iterations. + iteration 54: trace = 5.628866038937664 (7.70062e-06% change) linmin: converged after 5 iterations. - iteration 55: trace = 5.628865733610263 (5.42397e-06% change) + iteration 55: trace = 5.628865733630174 (5.42396e-06% change) linmin: converged after 3 iterations. - iteration 56: trace = 5.628865472822635 (4.63304e-06% change) + iteration 56: trace = 5.628865472838854 (4.63311e-06% change) + linmin: converged after 6 iterations. + iteration 57: trace = 5.628865257055493 (3.83351e-06% change) linmin: converged after 2 iterations. - iteration 57: trace = 5.628865257040933 (3.83348e-06% change) + iteration 58: trace = 5.628865067339921 (3.37041e-06% change) + linmin: converged after 17 iterations. + iteration 59: trace = 5.628864923854199 (2.54911e-06% change) + linmin: converged after 4 iterations. + iteration 60: trace = 5.628864787382382 (2.4245e-06% change) + linmin: converged after 6 iterations. + iteration 61: trace = 5.628864676737184 (1.96568e-06% change) + linmin: converged after 12 iterations. + iteration 62: trace = 5.628864577624377 (1.7608e-06% change) linmin: converged after 2 iterations. - iteration 58: trace = 5.628865067339544 (3.37015e-06% change) + iteration 63: trace = 5.628864491677724 (1.52689e-06% change) linmin: converged after 3 iterations. - iteration 59: trace = 5.628864923855851 (2.54907e-06% change) + iteration 64: trace = 5.628864423563048 (1.2101e-06% change) linmin: converged after 3 iterations. - iteration 60: trace = 5.628864787380481 (2.42456e-06% change) + iteration 65: trace = 5.628864369043746 (9.68567e-07% change) linmin: converged after 3 iterations. - iteration 61: trace = 5.628864676735699 (1.96567e-06% change) - linmin: converged after 7 iterations. - iteration 62: trace = 5.628864577622471 (1.7608e-06% change) - linmin: converged after 2 iterations. - iteration 63: trace = 5.628864491673314 (1.52694e-06% change) - linmin: converged after 2 iterations. - iteration 64: trace = 5.628864423558427 (1.2101e-06% change) - linmin: converged after 2 iterations. - iteration 65: trace = 5.628864369039819 (9.68554e-07% change) - linmin: converged after 3 iterations. - iteration 66: trace = 5.628864328352566 (7.22832e-07% change) + iteration 66: trace = 5.628864328356191 (7.22838e-07% change) linmin: converged after 4 iterations. - iteration 67: trace = 5.628864294905815 (5.94201e-07% change) - linmin: converged after 2 iterations. - iteration 68: trace = 5.628864268956475 (4.61005e-07% change) - linmin: converged after 2 iterations. - iteration 69: trace = 5.628864245242415 (4.21294e-07% change) - resetting CG direction... - linmin: converged after 7 iterations. - iteration 70: trace = 5.628864210815122 (6.11621e-07% change) + iteration 67: trace = 5.62886429490853 (5.94217e-07% change) linmin: converged after 2 iterations. - iteration 71: trace = 5.628864185803895 (4.44339e-07% change) + iteration 68: trace = 5.628864268958717 (4.61013e-07% change) linmin: converged after 4 iterations. - iteration 72: trace = 5.628864176497 (1.65342e-07% change) + iteration 69: trace = 5.628864245244371 (4.21299e-07% change) + resetting CG direction... linmin: converged after 3 iterations. - iteration 73: trace = 5.628864172329766 (7.40333e-08% change) - linmin: converged after 13 iterations. - iteration 74: trace = 5.628864170611541 (3.05252e-08% change) + iteration 70: trace = 5.628864210816833 (6.11625e-07% change) linmin: converged after 2 iterations. - iteration 75: trace = 5.628864170125547 (8.63397e-09% change) + iteration 71: trace = 5.62886418580456 (4.44357e-07% change) + linmin: converged after 4 iterations. + iteration 72: trace = 5.628864176497276 (1.65349e-07% change) + linmin: converged after 4 iterations. + iteration 73: trace = 5.62886417232988 (7.40362e-08% change) linmin: converged after 2 iterations. - iteration 76: trace = 5.628864169899412 (4.01741e-09% change) - linmin: converged after 10 iterations. - iteration 77: trace = 5.628864169746183 (2.72219e-09% change) + iteration 74: trace = 5.628864170611609 (3.05261e-08% change) linmin: converged after 3 iterations. - iteration 78: trace = 5.62886416956559 (3.20834e-09% change) + iteration 75: trace = 5.628864170125619 (8.63391e-09% change) + linmin: converged after 10 iterations. + iteration 76: trace = 5.628864169899462 (4.01781e-09% change) + linmin: converged after 18 iterations. + iteration 77: trace = 5.628864169746225 (2.72233e-09% change) linmin: converged after 2 iterations. - iteration 79: trace = 5.628864169372521 (3.42999e-09% change) - linmin: converged after 12 iterations. - iteration 80: trace = 5.628864169215215 (2.79462e-09% change) - linmin: converged after 7 iterations. - iteration 81: trace = 5.628864169115518 (1.77118e-09% change) + iteration 78: trace = 5.628864169565629 (3.20839e-09% change) linmin: converged after 6 iterations. - iteration 82: trace = 5.628864169056966 (1.04021e-09% change) + iteration 79: trace = 5.628864169372546 (3.43023e-09% change) + linmin: converged after 18 iterations. + iteration 80: trace = 5.628864169215229 (2.79484e-09% change) + linmin: converged after 4 iterations. + iteration 81: trace = 5.628864169115528 (1.77124e-09% change) linmin: converged after 5 iterations. - iteration 83: trace = 5.628864169025804 (5.53606e-10% change) + iteration 82: trace = 5.628864169056972 (1.04028e-09% change) linmin: converged after 4 iterations. - iteration 84: trace = 5.628864169015136 (1.89522e-10% change) - linmin: converged after 6 iterations. - iteration 85: trace = 5.628864169011921 (5.712e-11% change) + iteration 83: trace = 5.628864169025802 (5.53748e-10% change) + linmin: converged after 7 iterations. + iteration 84: trace = 5.628864169015142 (1.89395e-10% change) + linmin: converged after 8 iterations. + iteration 85: trace = 5.628864169011921 (5.72147e-11% change) 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: 0.6050052642822266 +elapsed time for k point: 1.861769437789917 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.5036058015219023 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.44462291347067406 at Vector3<0.5, 0.0, 0.0> to 0.5943440245519601 at Vector3<0.5, 0.5, 0.0> -Band 3 range: 0.5943566394470328 at Vector3<0.5, 0.5, 0.0> to 0.7808428121911954 at Vector3<0.0, 0.0, 0.0> +Band 3 range: 0.5943566394470328 at Vector3<0.5, 0.5, 0.0> to 0.7808428121911944 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6793887413076377 at Vector3<0.5, 0.5, 0.0> to 0.8173893719542894 at Vector3<0.3, 0.3, 0.0> -Band 5 range: 0.8304573822339196 at Vector3<0.3, 0.3, 0.0> to 0.9243716830585584 at Vector3<0.0, 0.0, 0.0> +Band 5 range: 0.8304573822339196 at Vector3<0.3, 0.3, 0.0> to 0.9243716830585603 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8957817684117535 at Vector3<0.5, 0.5, 0.0> to 1.0331104139200427 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.89578687453308 at Vector3<0.5, 0.5, 0.0> to 1.0958021492221042 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0974168095854093 at Vector3<0.5, 0.0, 0.0> to 1.1280127648119935 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5943440245519601) to band 3 (0.5943566394470328), 0.0021224679105015963% Gap from band 4 (0.8173893719542894) to band 5 (0.8304573822339196), 1.586071064729319% Gap from band 7 (1.0958021492221042) to band 8 (1.0974168095854093), 0.1472411458802152% -total elapsed time for run: 6.31885552406311 +total elapsed time for run: 19.38848042488098 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -87625,7 +83653,7 @@ 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: 0.003976106643676758 +elapsed time for initialization: 0.014980077743530273 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... @@ -87702,7 +83730,7 @@ iteration 35: trace = 4.483798274693346 (8.41272e-11% change) Finished solving for bands 2 to 8 after 35 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.550336, 0.561338, 0.56134, 0.822948, 0.868842, 0.965325, 1.08938 -elapsed time for k point: 0.19585299491882324 +elapsed time for k point: 0.6503005027770996 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -87761,7 +83789,7 @@ iteration 27: trace = 4.398155533647458 (5.76144e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0651416, 0.525004, 0.561885, 0.586307, 0.823536, 0.867346, 0.954632, 1.05688 -elapsed time for k point: 0.21464800834655762 +elapsed time for k point: 0.8164970874786377 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -87792,7 +83820,7 @@ iteration 13: trace = 4.314465855715582 (1.70864e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.127665, 0.49365, 0.563323, 0.617312, 0.822737, 0.86353, 0.924306, 1.03882 -elapsed time for k point: 0.10542678833007812 +elapsed time for k point: 0.47845935821533203 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -87823,7 +83851,7 @@ iteration 13: trace = 4.256363888498331 (1.20194e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.184047, 0.461592, 0.565122, 0.651397, 0.810839, 0.858984, 0.892949, 1.03589 -elapsed time for k point: 0.10735797882080078 +elapsed time for k point: 0.4357950687408447 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -87854,7 +83882,7 @@ iteration 13: trace = 4.22609532442957 (1.06974e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.227778, 0.433361, 0.566596, 0.689045, 0.778792, 0.855425, 0.879398, 1.03874 -elapsed time for k point: 0.10914444923400879 +elapsed time for k point: 0.4042823314666748 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -87887,7 +83915,7 @@ iteration 14: trace = 4.217772179352384 (6.65012e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.245809, 0.420657, 0.567163, 0.720092, 0.747203, 0.85409, 0.877012, 1.0408 -elapsed time for k point: 0.11279845237731934 +elapsed time for k point: 0.3725709915161133 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -87914,7 +83942,7 @@ iteration 11: trace = 4.205423828027401 (3.81847e-11% change) Finished solving for bands 1 to 8 after 11 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.249299, 0.427308, 0.560221, 0.718025, 0.756122, 0.855013, 0.877106, 1.02917 -elapsed time for k point: 0.09374570846557617 +elapsed time for k point: 4.051805257797241 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -87943,7 +83971,7 @@ iteration 12: trace = 4.182592281022643 (3.10033e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.258693, 0.445541, 0.543385, 0.711698, 0.77935, 0.858136, 0.877357, 1.00092 -elapsed time for k point: 0.10083842277526855 +elapsed time for k point: 0.28889012336730957 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -87972,7 +84000,7 @@ iteration 12: trace = 4.167811239279436 (1.56845e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.270963, 0.470322, 0.524053, 0.701396, 0.810963, 0.864394, 0.877683, 0.965108 -elapsed time for k point: 0.09936046600341797 +elapsed time for k point: 0.33579206466674805 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -88005,7 +84033,7 @@ iteration 14: trace = 4.169023318668046 (1.88116e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.281614, 0.493207, 0.508823, 0.689961, 0.846785, 0.874595, 0.878068, 0.926581 -elapsed time for k point: 0.11384057998657227 +elapsed time for k point: 0.3468477725982666 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -88040,7 +84068,7 @@ iteration 15: trace = 4.178672965088609 (1.76204e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.285906, 0.502981, 0.502983, 0.684476, 0.874359, 0.883317, 0.883317, 0.892993 -elapsed time for k point: 0.12486720085144043 +elapsed time for k point: 0.35489773750305176 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -88079,7 +84107,7 @@ iteration 17: trace = 4.141012578035558 (3.4682e-11% change) Finished solving for bands 1 to 8 after 17 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.276089, 0.491352, 0.508683, 0.69258, 0.839723, 0.856431, 0.907219, 0.907347 -elapsed time for k point: 0.13910436630249023 +elapsed time for k point: 0.41776299476623535 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -88108,7 +84136,7 @@ iteration 12: trace = 4.141330405700032 (2.93605e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.240239, 0.47923, 0.523499, 0.685362, 0.829266, 0.840451, 0.910791, 0.941595 -elapsed time for k point: 0.0997779369354248 +elapsed time for k point: 0.21988821029663086 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -88137,7 +84165,7 @@ iteration 12: trace = 4.213521375941403 (1.82335e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.17524, 0.488533, 0.541561, 0.64751, 0.83002, 0.850443, 0.922657, 0.983925 -elapsed time for k point: 0.09792709350585938 +elapsed time for k point: 0.23415374755859375 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -88168,7 +84196,7 @@ iteration 13: trace = 4.345426086018987 (7.15379e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0915259, 0.516393, 0.555924, 0.601211, 0.824561, 0.86529, 0.948412, 1.03526 -elapsed time for k point: 0.10567522048950195 +elapsed time for k point: 0.41277480125427246 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. @@ -88301,7 +84329,7 @@ iteration 59: trace = 4.4837980241564 (6.18425e-11% change) Finished solving for bands 2 to 8 after 59 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.550336, 0.561338, 0.56134, 0.822948, 0.868842, 0.965325, 1.08938 -.elapsed time for k point: 0.3261265754699707 +.elapsed time for k point: 1.5829319953918457 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.28590577911965465 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.42065733839975067 at Vector3<0.5, 0.0, 0.0> to 0.5503360754831275 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.502983097836598 at Vector3<0.5, 0.5, 0.0> to 0.5671632878128122 at Vector3<0.5, 0.0, 0.0> @@ -88312,11 +84340,11 @@ Band 8 range: 0.8929933495598105 at Vector3<0.5, 0.5, 0.0> to 1.0893776820093328 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.28590577911965465) to band 2 (0.42065733839975067), 38.1428228954776% Gap from band 4 (0.720091820456399) to band 5 (0.7472029910480827), 3.695395142014508% -total elapsed time for run: 2.1528193950653076 +total elapsed time for run: 11.420896053314209 done -/tmp/meepNmMUdV/test_sq_rods-0: 8.47s +/tmp/meep1SOGmO/test_sq_rods-0: 30.84s -/tmp/meepNmMUdV/test_strip-0 +/tmp/meep1SOGmO/test_strip-0 ======================== Initializing eigensolver data Computing 4 bands with 1e-12 tolerance @@ -88358,7 +84386,7 @@ 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: 0.011162281036376953 +elapsed time for initialization: 0.03850674629211426 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... @@ -88447,7 +84475,7 @@ iteration 41: trace = 0.2686493130629787 (6.31463e-11% change) Finished solving for bands 1 to 4 after 41 iterations. freqs:, 1, 0.1, 0, 0, 0.1, 0.0807582, 0.0855765, 0.3147, 0.394675 -elapsed time for k point: 0.6123244762420654 +elapsed time for k point: 5.18523907661438 zparity:, 1, 0.9918457643228179, -0.9993165778921195, 0.9263952713814154, 0.7342879854782446 yparity:, 1, -0.9999999941669406, 0.9999999948774738, 0.9999993171394717, -0.999990344073027 solve_kpoint (0.39,0,0): @@ -88514,7 +84542,7 @@ iteration 30: trace = 0.6068839394817219 (4.76005e-11% change) Finished solving for bands 1 to 4 after 30 iterations. freqs:, 2, 0.39, 0, 0, 0.39, 0.305867, 0.318873, 0.435494, 0.471163 -elapsed time for k point: 0.5613219738006592 +elapsed time for k point: 1.232393741607666 zparity:, 2, 0.8497976290471405, -0.8562083115818881, 0.6135047144631055, 0.704049364345392 yparity:, 2, -0.9999999782411441, 0.9999997901628067, 1.0000058683415471, -0.9999353452681622 solve_kpoint (0.68,0,0): @@ -88587,7 +84615,7 @@ iteration 33: trace = 1.207704486916822 (5.62602e-11% change) Finished solving for bands 1 to 4 after 33 iterations. freqs:, 3, 0.68, 0, 0, 0.68, 0.506676, 0.511416, 0.580115, 0.594058 -elapsed time for k point: 0.5627419948577881 +elapsed time for k point: 1.6028788089752197 zparity:, 3, 0.6430471097763378, -0.5132970564866739, 0.749333227900428, -0.5174581393558557 yparity:, 3, -1.0000092437102697, 0.9999867307863303, -0.9999773484878274, 0.999973952733607 solve_kpoint (0.97,0,0): @@ -88650,7 +84678,7 @@ iteration 28: trace = 1.883192742813693 (5.87421e-11% change) Finished solving for bands 1 to 4 after 28 iterations. freqs:, 4, 0.97, 0, 0, 0.97, 0.629793, 0.64279, 0.724022, 0.741057 -elapsed time for k point: 0.4272444248199463 +elapsed time for k point: 1.525296926498413 zparity:, 4, 0.9505599456722603, -0.7953782494253178, 0.29095932960240484, -0.2599400191575976 yparity:, 4, -0.9999756485608305, 0.9999734198097727, -0.9999951573073894, 1.0000024021439267 solve_kpoint (1.26,0,0): @@ -88763,7 +84791,7 @@ iteration 53: trace = 2.604105949809355 (7.30057e-11% change) Finished solving for bands 1 to 4 after 53 iterations. freqs:, 5, 1.26, 0, 0, 1.26, 0.691833, 0.716391, 0.880207, 0.915146 -elapsed time for k point: 0.9074544906616211 +elapsed time for k point: 4.118509531021118 zparity:, 5, 0.989433203648185, -0.941034559794807, -0.9057097520615617, 0.12590511638581192 yparity:, 5, -0.9999341958047732, 0.9999920496324087, -0.9999957145769162, 1.000021444719625 solve_kpoint (1.55,0,0): @@ -88828,7 +84856,7 @@ iteration 29: trace = 3.170970083323875 (9.73196e-11% change) Finished solving for bands 1 to 4 after 29 iterations. freqs:, 6, 1.55, 0, 0, 1.55, 0.750543, 0.778256, 0.948183, 1.0502 -elapsed time for k point: 0.4646754264831543 +elapsed time for k point: 0.3754851818084717 zparity:, 6, 0.9953267395054749, -0.9730766670048566, -0.9862479112199617, 0.7878496622990012 yparity:, 6, -0.9999079119736324, 0.9999964725104156, -1.0000003774905901, 1.0001762821171216 solve_kpoint (1.84,0,0): @@ -88901,7 +84929,7 @@ iteration 32: trace = 3.666115155387478 (3.66792e-11% change) Finished solving for bands 1 to 4 after 32 iterations. freqs:, 7, 1.84, 0, 0, 1.84, 0.811564, 0.839559, 1.01283, 1.12995 -elapsed time for k point: 0.47156286239624023 +elapsed time for k point: 0.34507274627685547 zparity:, 7, 0.9973241081198855, -0.9843536270515871, -0.9920656947486447, 0.9432892229032792 yparity:, 7, -0.9998843493066418, 0.9999987176028815, -1.000004228955011, 1.0002512950943228 solve_kpoint (2.13,0,0): @@ -89135,7 +85163,7 @@ iteration 111: trace = 4.142245065134212 (5.82578e-11% change) Finished solving for bands 1 to 4 after 111 iterations. freqs:, 8, 2.13, 0, 0, 2.13, 0.875475, 0.902606, 1.07764, 1.18313 -elapsed time for k point: 2.5950865745544434 +elapsed time for k point: 2.2221715450286865 zparity:, 8, 0.9982486290504695, -0.9895791222995164, -0.994248025412605, -0.9858374395349168 yparity:, 8, -0.9998633635883192, 1.0000002772667547, -1.0000094946113083, -0.999844607741168 solve_kpoint (2.42,0,0): @@ -89186,7 +85214,7 @@ iteration 22: trace = 4.658682156001969 (6.48973e-11% change) Finished solving for bands 1 to 4 after 22 iterations. freqs:, 9, 2.42, 0, 0, 2.42, 0.942027, 0.967822, 1.14317, 1.23602 -elapsed time for k point: 0.5553555488586426 +elapsed time for k point: 0.7636606693267822 zparity:, 9, 0.9987530861904907, -0.992422557413354, -0.9954159207907912, -0.9908510257241977 yparity:, 9, -0.9998459146893185, 1.000001510036809, -1.0000160082783394, -0.999840967114548 solve_kpoint (2.71,0,0): @@ -89225,7 +85253,7 @@ iteration 16: trace = 5.225821941816028 (8.96027e-11% change) Finished solving for bands 1 to 4 after 16 iterations. freqs:, 10, 2.71, 0, 0, 2.71, 1.01083, 1.03512, 1.20959, 1.29208 -elapsed time for k point: 0.2458486557006836 +elapsed time for k point: 0.6294078826904297 zparity:, 10, 0.9990584518844122, -0.994138505459672, -0.9961444762112268, -0.9934909746544547 yparity:, 10, -0.9998332718977178, 1.0000025246212318, -1.0000230923335942, -0.999834812138767 solve_kpoint (3,0,0): @@ -89264,18 +85292,18 @@ iteration 16: trace = 5.844970311254003 (6.85626e-11% change) Finished solving for bands 1 to 4 after 16 iterations. freqs:, 11, 3, 0, 0, 3, 1.0815, 1.10429, 1.27693, 1.35105 -Felapsed time for k point: 0.2553365230560303 +Felapsed time for k point: 1.5862293243408203 zparity:, 11, 0.9992573509363805, -0.9952507980579985, -0.9966396089669408, -0.9950905165812846 yparity:, 11, -0.9998264814151204, 1.000003358403511, -1.0000301573652728, -0.9998331550674042 Band 1 range: 0.080758205340476 at Vector3<0.1, 0.0, 0.0> to 1.0814996932106418 at Vector3<3.0, 0.0, 0.0> Band 2 range: 0.08557653550125252 at Vector3<0.1, 0.0, 0.0> to 1.10428530979045 at Vector3<3.0, 0.0, 0.0> Band 3 range: 0.3146996800330991 at Vector3<0.1, 0.0, 0.0> to 1.276928808773857 at Vector3<3.0, 0.0, 0.0> Band 4 range: 0.39467479434568936 at Vector3<0.1, 0.0, 0.0> to 1.3510497758201518 at Vector3<3.0, 0.0, 0.0> -total elapsed time for run: 7.6739280223846436 +total elapsed time for run: 19.636478424072266 done -/tmp/meepNmMUdV/test_strip-0: 7.68s +/tmp/meep1SOGmO/test_strip-0: 19.64s -/tmp/meepNmMUdV/test_subpixel_averaging-0 +/tmp/meep1SOGmO/test_subpixel_averaging-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -89318,7 +85346,7 @@ 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: 0.003824949264526367 +elapsed time for initialization: 0.0072286128997802734 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... @@ -89429,7 +85457,7 @@ iteration 52: trace = 5.548117725324876 (4.74496e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.35387396812438965 +elapsed time for k point: 3.303966999053955 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -89680,7 +85708,7 @@ iteration 121: trace = 5.540497242579415 (3.78965e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 1.049494743347168 +elapsed time for k point: 3.5127851963043213 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -89737,7 +85765,7 @@ iteration 26: trace = 5.499374946276072 (6.76061e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.2092890739440918 +elapsed time for k point: 0.7965495586395264 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -89790,7 +85818,7 @@ iteration 24: trace = 5.485459080087868 (6.14144e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.19527244567871094 +elapsed time for k point: 0.6264472007751465 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -89851,7 +85879,7 @@ iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.22985100746154785 +elapsed time for k point: 1.2368314266204834 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -89944,7 +85972,7 @@ iteration 44: trace = 5.538866868553965 (9.66452e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.3541686534881592 +elapsed time for k point: 2.5856804847717285 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -90015,7 +86043,7 @@ iteration 33: trace = 5.419797732958394 (9.1099e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.5219194889068604 +elapsed time for k point: 1.0739388465881348 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -90076,7 +86104,7 @@ iteration 28: trace = 5.240853948733916 (3.69619e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.6059749126434326 +elapsed time for k point: 0.8174502849578857 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -90129,7 +86157,7 @@ iteration 24: trace = 5.09654427341062 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.34990739822387695 +elapsed time for k point: 0.6469857692718506 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -90181,7 +86209,7 @@ iteration 23: trace = 5.006436496341392 (6.08684e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.1836848258972168 +elapsed time for k point: 0.5686943531036377 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -90233,7 +86261,7 @@ iteration 23: trace = 4.975984265381787 (5.44582e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.3541238307952881 +elapsed time for k point: 0.6063060760498047 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -90274,7 +86302,7 @@ iteration 18: trace = 5.036378479895265 (5.47222e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.14539074897766113 +elapsed time for k point: 0.512772798538208 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -90321,7 +86349,7 @@ iteration 21: trace = 5.206566305891685 (3.93717e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.16890621185302734 +elapsed time for k point: 2.405073881149292 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -90384,7 +86412,7 @@ iteration 29: trace = 5.417088766409226 (6.14845e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.4462764263153076 +elapsed time for k point: 1.9227361679077148 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -90457,7 +86485,7 @@ iteration 34: trace = 5.522267645664736 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.26995420455932617 +elapsed time for k point: 0.8176712989807129 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -90652,7 +86680,7 @@ iteration 93: trace = 5.548117725324989 (3.6948e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 1.5800175666809082 +elapsed time for k point: 1.7043190002441406 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0> @@ -90664,13 +86692,13 @@ Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383% Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081% Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186% -total elapsed time for run: 7.024634122848511 +total elapsed time for run: 23.147713661193848 done epsilon: 1-12, mean 2.38229, harm. mean 1.1448, 14.5508% > 1, 12.5663% "fill" -.Outputting /tmp/meepNmMUdV/test_subpixel_averaging-0-epsilon.h5... -/tmp/meepNmMUdV/test_subpixel_averaging-0: 7.04s +.Outputting /tmp/meep1SOGmO/test_subpixel_averaging-0-epsilon.h5... +/tmp/meep1SOGmO/test_subpixel_averaging-0: 23.26s -/tmp/meepNmMUdV/test_symmetry_overlap-0 +/tmp/meep1SOGmO/test_symmetry_overlap-0 ======================== Initializing eigensolver data Computing 6 bands with 1e-12 tolerance @@ -90698,7 +86726,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.5> -elapsed time for initialization: 0.1342623233795166 +elapsed time for initialization: 0.2993927001953125 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... @@ -90722,45 +86750,29 @@ linmin: converged after 4 iterations. iteration 9: trace = 2.040708177313777 (0.0260904% change) linmin: converged after 4 iterations. + switching to approximate line minimization (decrease time by 86.3174%) iteration 10: trace = 2.04046661825746 (0.0118377% change) - linmin: converged after 4 iterations. - iteration 11: trace = 2.040385065978462 (0.00399683% change) - linmin: converged after 5 iterations. - iteration 12: trace = 2.04035411128717 (0.00151711% change) - linmin: converged after 5 iterations. - iteration 13: trace = 2.040341169825733 (0.000634277% change) - linmin: converged after 4 iterations. - iteration 14: trace = 2.040337077970399 (0.000200548% change) - linmin: converged after 4 iterations. - iteration 15: trace = 2.040336153622544 (4.53037e-05% change) - linmin: converged after 4 iterations. - iteration 16: trace = 2.040335806340868 (1.70208e-05% change) - linmin: converged after 3 iterations. - iteration 17: trace = 2.040335710845975 (4.68035e-06% change) - linmin: converged after 16 iterations. - iteration 18: trace = 2.040335672642782 (1.8724e-06% change) - linmin: converged after 7 iterations. - iteration 19: trace = 2.040335654413311 (8.93455e-07% change) - linmin: converged after 5 iterations. - iteration 20: trace = 2.040335648243751 (3.0238e-07% change) - linmin: converged after 2 iterations. - iteration 21: trace = 2.040335646291804 (9.56679e-08% change) - linmin: converged after 4 iterations. - iteration 22: trace = 2.040335645616527 (3.30964e-08% change) - linmin: converged after 5 iterations. - iteration 23: trace = 2.040335645457562 (7.79111e-09% change) - linmin: converged after 3 iterations. - iteration 24: trace = 2.040335645416267 (2.02393e-09% change) - linmin: converged after 8 iterations. - iteration 25: trace = 2.04033564540416 (5.93393e-10% change) - linmin: converged after 6 iterations. - iteration 26: trace = 2.040335645401662 (1.22453e-10% change) - linmin: converged after 3 iterations. - iteration 27: trace = 2.04033564540094 (3.53907e-11% change) + iteration 11: trace = 2.040385067721791 (0.00399674% change) + iteration 12: trace = 2.040354132678357 (0.00151615% change) + iteration 13: trace = 2.040341149532646 (0.00063632% change) + iteration 14: trace = 2.040337076859542 (0.000199608% change) + iteration 15: trace = 2.040336154578591 (4.52024e-05% change) + iteration 16: trace = 2.040335805771139 (1.70956e-05% change) + iteration 17: trace = 2.040335710739577 (4.65764e-06% change) + iteration 18: trace = 2.040335672608006 (1.86889e-06% change) + iteration 19: trace = 2.040335654357567 (8.94482e-07% change) + iteration 20: trace = 2.040335648234676 (3.00092e-07% change) + iteration 21: trace = 2.040335646287139 (9.54518e-08% change) + iteration 22: trace = 2.040335645615379 (3.2924e-08% change) + iteration 23: trace = 2.040335645457447 (7.74049e-09% change) + iteration 24: trace = 2.04033564541621 (2.02108e-09% change) + iteration 25: trace = 2.040335645404131 (5.92022e-10% change) + iteration 26: trace = 2.040335645401632 (1.22474e-10% change) + iteration 27: trace = 2.04033564540093 (3.44113e-11% change) Finished solving for bands 1 to 6 after 27 iterations. freqs:, 1, 0.5, 0.5, 0.5, 0.866025, 0.52682, 0.526822, 0.526826, 0.634476, 0.634484, 0.634491 -elapsed time for k point: 13.731375932693481 -total elapsed time for run: 13.865839958190918 +elapsed time for k point: 32.32607555389404 +total elapsed time for run: 32.625629901885986 done Initializing eigensolver data Computing 6 bands with 1e-12 tolerance @@ -90787,7 +86799,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.13262677192687988 +elapsed time for initialization: 0.12205004692077637 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... @@ -90970,8 +86982,8 @@ iteration 87: trace = 2.470085654421001 (7.5115e-11% change) Finished solving for bands 2 to 6 after 87 iterations. zevenfreqs:, 1, 0, 0, 0, 0, 0, 0.54855, 0.707218, 0.707226, 0.764464, 0.764492 -elapsed time for k point: 33.46141743659973 -total elapsed time for run: 33.59427332878113 +elapsed time for k point: 90.38982605934143 +total elapsed time for run: 90.51216959953308 done Initializing eigensolver data Computing 6 bands with 1e-12 tolerance @@ -90998,7 +87010,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.25812244415283203 +elapsed time for initialization: 0.34897541999816895 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... @@ -91067,12 +87079,12 @@ iteration 31: trace = 2.293368820561557 (4.35304e-11% change) Finished solving for bands 2 to 6 after 31 iterations. zoddfreqs:, 1, 0, 0, 0, 0, 0, 0.548559, 0.548564, 0.707153, 0.764183, 0.779416 -.elapsed time for k point: 13.89600396156311 -total elapsed time for run: 14.154361724853516 +.elapsed time for k point: 31.791269302368164 +total elapsed time for run: 32.14043092727661 done -/tmp/meepNmMUdV/test_symmetry_overlap-0: 63.10s +/tmp/meep1SOGmO/test_symmetry_overlap-0: 157.62s -/tmp/meepNmMUdV/test_tri_holes-0 +/tmp/meep1SOGmO/test_tri_holes-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -91115,7 +87127,7 @@ 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: 0.17731451988220215 +elapsed time for initialization: 0.020260334014892578 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... @@ -91125,1351 +87137,1351 @@ linmin: converged after 7 iterations. iteration 2: trace = 5.883288708168697 (77.5984% change) linmin: converged after 5 iterations. - iteration 3: trace = 5.044755956652264 (15.3464% change) + iteration 3: trace = 5.044755956652262 (15.3464% change) linmin: converged after 5 iterations. iteration 4: trace = 4.759186801709498 (5.8256% change) linmin: converged after 5 iterations. - iteration 5: trace = 4.648502384223161 (2.35306% change) + iteration 5: trace = 4.648502384223164 (2.35306% change) linmin: converged after 5 iterations. - iteration 6: trace = 4.573735188935817 (1.62145% change) - linmin: converged after 7 iterations. - iteration 7: trace = 4.525096086376154 (1.06913% change) + iteration 6: trace = 4.573735188935823 (1.62145% change) + linmin: converged after 6 iterations. + iteration 7: trace = 4.525096086376153 (1.06913% change) linmin: converged after 7 iterations. - iteration 8: trace = 4.490878663187896 (0.75904% change) - linmin: converged after 9 iterations. - iteration 9: trace = 4.471972673158289 (0.421874% change) + iteration 8: trace = 4.490878663187869 (0.75904% change) + linmin: converged after 5 iterations. + iteration 9: trace = 4.47197267315708 (0.421874% change) linmin: converged after 4 iterations. - iteration 10: trace = 4.463100096502802 (0.198601% change) + iteration 10: trace = 4.463100096503293 (0.198601% change) linmin: converged after 5 iterations. - iteration 11: trace = 4.457774835855679 (0.119389% change) + iteration 11: trace = 4.457774835855008 (0.119389% change) linmin: converged after 4 iterations. - iteration 12: trace = 4.455553733636298 (0.0498378% change) + iteration 12: trace = 4.455553733636341 (0.0498378% change) linmin: converged after 4 iterations. - iteration 13: trace = 4.454264949858802 (0.0289295% change) + iteration 13: trace = 4.454264949858748 (0.0289295% change) linmin: converged after 4 iterations. - iteration 14: trace = 4.45362856803677 (0.014288% change) + iteration 14: trace = 4.453628568036779 (0.014288% change) linmin: converged after 4 iterations. iteration 15: trace = 4.453292324411064 (0.00755017% change) linmin: converged after 4 iterations. - iteration 16: trace = 4.453169254637681 (0.00276361% change) + iteration 16: trace = 4.453169254637669 (0.00276361% change) linmin: converged after 4 iterations. - iteration 17: trace = 4.45312419833384 (0.00101179% change) - linmin: converged after 4 iterations. - iteration 18: trace = 4.453097708544562 (0.00059486% change) + iteration 17: trace = 4.453124198333837 (0.00101179% change) + linmin: converged after 5 iterations. + iteration 18: trace = 4.453097708544555 (0.00059486% change) linmin: converged after 5 iterations. - iteration 19: trace = 4.453064686036353 (0.000741565% change) + iteration 19: trace = 4.453064686036334 (0.000741565% change) large trace change predicted (0.00167871%) - linmin: converged after 8 iterations. - iteration 20: trace = 4.452989908418393 (0.00167925% change) + linmin: converged after 5 iterations. + iteration 20: trace = 4.452989908418395 (0.00167925% change) large trace change predicted (0.00355348%) - linmin: converged after 11 iterations. - iteration 21: trace = 4.452831698851194 (0.00355295% change) linmin: converged after 5 iterations. - iteration 22: trace = 4.452615931161866 (0.00484575% change) + iteration 21: trace = 4.452831698844784 (0.00355295% change) + linmin: converged after 4 iterations. + iteration 22: trace = 4.452615931157512 (0.00484575% change) linmin: converged after 5 iterations. - iteration 23: trace = 4.452445091443117 (0.00383691% change) + iteration 23: trace = 4.452445091453891 (0.00383691% change) linmin: converged after 4 iterations. - iteration 24: trace = 4.452296186459317 (0.0033444% change) + iteration 24: trace = 4.452296186462635 (0.0033444% change) linmin: converged after 5 iterations. - iteration 25: trace = 4.45214480792432 (0.00340007% change) + iteration 25: trace = 4.452144807934248 (0.00340007% change) linmin: converged after 4 iterations. - iteration 26: trace = 4.452028010939461 (0.00262342% change) + iteration 26: trace = 4.452028010938923 (0.00262342% change) linmin: converged after 4 iterations. - iteration 27: trace = 4.451974702506442 (0.0011974% change) + iteration 27: trace = 4.451974702503806 (0.0011974% change) linmin: converged after 4 iterations. - iteration 28: trace = 4.451958340678137 (0.000367519% change) + iteration 28: trace = 4.451958340675585 (0.000367519% change) linmin: converged after 4 iterations. - iteration 29: trace = 4.451953421811336 (0.000110488% change) + iteration 29: trace = 4.451953421809178 (0.000110488% change) linmin: converged after 4 iterations. - iteration 30: trace = 4.451951355109325 (4.64224e-05% change) + iteration 30: trace = 4.451951355107944 (4.64224e-05% change) linmin: converged after 5 iterations. - iteration 31: trace = 4.451950388859546 (2.1704e-05% change) - linmin: converged after 4 iterations. - iteration 32: trace = 4.451949935125477 (1.01918e-05% change) - linmin: converged after 14 iterations. - iteration 33: trace = 4.45194972165554 (4.79498e-06% change) - linmin: converged after 2 iterations. - iteration 34: trace = 4.451949638045011 (1.87807e-06% change) - linmin: converged after 4 iterations. - iteration 35: trace = 4.451949603091682 (7.85124e-07% change) + iteration 31: trace = 4.451950388858661 (2.1704e-05% change) linmin: converged after 6 iterations. - iteration 36: trace = 4.451949587125897 (3.58625e-07% change) - linmin: converged after 4 iterations. - iteration 37: trace = 4.451949578415249 (1.95659e-07% change) - linmin: converged after 2 iterations. - iteration 38: trace = 4.451949573498261 (1.10446e-07% change) + iteration 32: trace = 4.451949935124787 (1.01918e-05% change) + linmin: converged after 17 iterations. + iteration 33: trace = 4.451949721654948 (4.79497e-06% change) linmin: converged after 2 iterations. - iteration 39: trace = 4.451949570787714 (6.08845e-08% change) + iteration 34: trace = 4.451949638044333 (1.87807e-06% change) + linmin: converged after 10 iterations. + iteration 35: trace = 4.451949603091121 (7.85121e-07% change) + linmin: converged after 3 iterations. + iteration 36: trace = 4.451949587125339 (3.58624e-07% change) + linmin: converged after 4 iterations. + iteration 37: trace = 4.451949578414736 (1.95658e-07% change) + linmin: converged after 3 iterations. + iteration 38: trace = 4.451949573497765 (1.10445e-07% change) linmin: converged after 2 iterations. - iteration 40: trace = 4.451949569044144 (3.91642e-08% change) + iteration 39: trace = 4.451949570787226 (6.08843e-08% change) + linmin: converged after 4 iterations. + iteration 40: trace = 4.451949569043665 (3.9164e-08% change) linmin: converged after 4 iterations. - iteration 41: trace = 4.451949566781069 (5.08333e-08% change) + iteration 41: trace = 4.451949566780623 (5.08326e-08% change) linmin: converged after 4 iterations. - iteration 42: trace = 4.451949562368261 (9.91208e-08% change) - large trace change predicted (2.08754e-07%) + iteration 42: trace = 4.451949562367886 (9.91192e-08% change) + large trace change predicted (2.08751e-07%) linmin: converged after 2 iterations. - iteration 43: trace = 4.451949553074643 (2.08754e-07% change) + iteration 43: trace = 4.451949553074408 (2.08751e-07% change) linmin: converged after 4 iterations. - iteration 44: trace = 4.451949540843133 (2.74745e-07% change) + iteration 44: trace = 4.451949540842983 (2.74743e-07% change) linmin: converged after 3 iterations. - iteration 45: trace = 4.451949529999723 (2.43565e-07% change) + iteration 45: trace = 4.451949529999652 (2.43564e-07% change) linmin: converged after 2 iterations. - iteration 46: trace = 4.451949523238113 (1.5188e-07% change) + iteration 46: trace = 4.451949523238097 (1.51879e-07% change) linmin: converged after 3 iterations. - iteration 47: trace = 4.451949519159018 (9.16249e-08% change) + iteration 47: trace = 4.451949519159004 (9.16249e-08% change) linmin: converged after 2 iterations. - iteration 48: trace = 4.451949516240802 (6.55492e-08% change) + iteration 48: trace = 4.451949516240804 (6.55488e-08% change) + linmin: converged after 4 iterations. + iteration 49: trace = 4.451949514432186 (4.06253e-08% change) + linmin: converged after 3 iterations. + iteration 50: trace = 4.451949513681802 (1.68552e-08% change) linmin: converged after 2 iterations. - iteration 49: trace = 4.451949514432187 (4.06252e-08% change) - linmin: converged after 11 iterations. - iteration 50: trace = 4.45194951368181 (1.6855e-08% change) + iteration 51: trace = 4.451949513453069 (5.13781e-09% change) linmin: converged after 4 iterations. - iteration 51: trace = 4.451949513453068 (5.13803e-09% change) - linmin: converged after 9 iterations. - iteration 52: trace = 4.451949513392954 (1.35028e-09% change) + iteration 52: trace = 4.45194951339295 (1.3504e-09% change) linmin: converged after 3 iterations. - iteration 53: trace = 4.451949513373073 (4.46568e-10% change) + iteration 53: trace = 4.451949513373063 (4.46708e-10% change) + linmin: converged after 4 iterations. + iteration 54: trace = 4.45194951336368 (2.10775e-10% change) linmin: converged after 3 iterations. - iteration 54: trace = 4.451949513363684 (2.10895e-10% change) - linmin: converged after 5 iterations. - iteration 55: trace = 4.451949513358432 (1.17966e-10% change) - linmin: converged after 15 iterations. - iteration 56: trace = 4.451949513355893 (5.7038e-11% change) + iteration 55: trace = 4.45194951335844 (1.17687e-10% change) + linmin: converged after 3 iterations. + iteration 56: trace = 4.4519495133559 (5.70579e-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: 0.8427112102508545 +elapsed time for k point: 0.9492502212524414 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 4.475944467108932 (0.531645% change) + iteration 1: trace = 4.475944467088697 (0.531645% change) linmin: converged after 4 iterations. - iteration 2: trace = 4.470049557613261 (0.131789% change) + iteration 2: trace = 4.47004955757308 (0.131789% change) linmin: converged after 3 iterations. - iteration 3: trace = 4.468237947812556 (0.0405359% change) + iteration 3: trace = 4.468237947758968 (0.0405359% change) linmin: converged after 3 iterations. - iteration 4: trace = 4.467329142654912 (0.0203413% change) + iteration 4: trace = 4.46732914258891 (0.0203413% change) linmin: converged after 4 iterations. - iteration 5: trace = 4.466696419469301 (0.0141643% change) + iteration 5: trace = 4.466696419394401 (0.0141643% change) linmin: converged after 4 iterations. - iteration 6: trace = 4.46626734957484 (0.00960644% change) + iteration 6: trace = 4.466267349496484 (0.00960644% change) linmin: converged after 4 iterations. - iteration 7: trace = 4.465882292089019 (0.00862183% change) + iteration 7: trace = 4.465882292011072 (0.00862183% change) linmin: converged after 4 iterations. - iteration 8: trace = 4.465603095642135 (0.00625196% change) + iteration 8: trace = 4.465603095566394 (0.00625196% change) linmin: converged after 3 iterations. - iteration 9: trace = 4.465254970967649 (0.007796% change) + iteration 9: trace = 4.465254970894671 (0.007796% change) large trace change predicted (0.015835%) linmin: converged after 3 iterations. - iteration 10: trace = 4.464548380125286 (0.0158255% change) + iteration 10: trace = 4.464548380057723 (0.0158255% change) large trace change predicted (0.0385932%) linmin: converged after 6 iterations. - iteration 11: trace = 4.462859568880448 (0.0378343% change) - linmin: converged after 6 iterations. - iteration 12: trace = 4.460811970312608 (0.0458914% change) - linmin: converged after 6 iterations. - iteration 13: trace = 4.459584283500496 (0.0275254% change) + iteration 11: trace = 4.462859568828668 (0.0378343% change) + linmin: converged after 7 iterations. + iteration 12: trace = 4.460811970282606 (0.0458914% change) + linmin: converged after 5 iterations. + iteration 13: trace = 4.459584283475678 (0.0275254% change) linmin: converged after 4 iterations. - iteration 14: trace = 4.459118661375987 (0.0104415% change) + iteration 14: trace = 4.459118661361837 (0.0104415% change) linmin: converged after 3 iterations. - iteration 15: trace = 4.458964421206439 (0.00345904% change) + iteration 15: trace = 4.458964421196186 (0.00345904% change) linmin: converged after 3 iterations. - iteration 16: trace = 4.458929960321749 (0.000772848% change) + iteration 16: trace = 4.458929960311353 (0.000772848% change) linmin: converged after 3 iterations. - iteration 17: trace = 4.458912092725232 (0.000400716% change) + iteration 17: trace = 4.458912092714899 (0.000400716% change) linmin: converged after 3 iterations. - iteration 18: trace = 4.458904032331692 (0.000180771% change) + iteration 18: trace = 4.458904032321756 (0.000180771% change) linmin: converged after 3 iterations. - iteration 19: trace = 4.458899161072777 (0.000109248% change) - linmin: converged after 4 iterations. - iteration 20: trace = 4.45889701734218 (4.80776e-05% change) - linmin: converged after 6 iterations. - iteration 21: trace = 4.458895960746618 (2.36963e-05% change) + iteration 19: trace = 4.458899161063318 (0.000109248% change) linmin: converged after 4 iterations. - iteration 22: trace = 4.458895419244479 (1.21443e-05% change) + iteration 20: trace = 4.458897017333146 (4.80776e-05% change) linmin: converged after 5 iterations. - iteration 23: trace = 4.45889508627689 (7.46749e-06% change) + iteration 21: trace = 4.458895960737981 (2.36963e-05% change) linmin: converged after 6 iterations. - iteration 24: trace = 4.458894672869514 (9.27152e-06% change) - linmin: converged after 5 iterations. - iteration 25: trace = 4.458893966779284 (1.58355e-05% change) + iteration 22: trace = 4.458895419236236 (1.21443e-05% change) linmin: converged after 6 iterations. - iteration 26: trace = 4.458892812033712 (2.58976e-05% change) + iteration 23: trace = 4.458895086269089 (7.46748e-06% change) + linmin: converged after 5 iterations. + iteration 24: trace = 4.458894672862503 (9.2715e-06% change) linmin: converged after 6 iterations. - iteration 27: trace = 4.458891509286135 (2.92168e-05% change) + iteration 25: trace = 4.458893966773802 (1.58355e-05% change) linmin: converged after 5 iterations. - iteration 28: trace = 4.458890473613544 (2.32271e-05% change) + iteration 26: trace = 4.458892812030476 (2.58975e-05% change) linmin: converged after 5 iterations. - iteration 29: trace = 4.458889874545141 (1.34354e-05% change) + iteration 27: trace = 4.458891509284777 (2.92168e-05% change) + linmin: converged after 5 iterations. + iteration 28: trace = 4.458890473613134 (2.32271e-05% change) linmin: converged after 6 iterations. - iteration 30: trace = 4.458889622685401 (5.64849e-06% change) + iteration 29: trace = 4.458889874545046 (1.34354e-05% change) + linmin: converged after 4 iterations. + iteration 30: trace = 4.458889622685373 (5.64848e-06% change) linmin: converged after 2 iterations. - iteration 31: trace = 4.458889526435814 (2.1586e-06% change) - linmin: converged after 16 iterations. - iteration 32: trace = 4.458889488492766 (8.50953e-07% change) + iteration 31: trace = 4.458889526435792 (2.1586e-06% change) linmin: converged after 3 iterations. - iteration 33: trace = 4.458889473720185 (3.31306e-07% change) - linmin: converged after 22 iterations. - iteration 34: trace = 4.458889468163909 (1.24611e-07% change) - linmin: converged after 4 iterations. - iteration 35: trace = 4.458889466116761 (4.59116e-08% change) - linmin: converged after 12 iterations. - iteration 36: trace = 4.458889465242297 (1.96117e-08% change) + iteration 32: trace = 4.458889488492753 (8.50953e-07% change) linmin: converged after 4 iterations. - iteration 37: trace = 4.458889464752254 (1.09903e-08% change) - linmin: converged after 18 iterations. - iteration 38: trace = 4.458889464463208 (6.48245e-09% change) - linmin: converged after 3 iterations. - iteration 39: trace = 4.458889464280381 (4.10028e-09% change) - linmin: converged after 9 iterations. - iteration 40: trace = 4.458889464100642 (4.03102e-09% change) - linmin: converged after 12 iterations. - iteration 41: trace = 4.458889463833446 (5.99245e-09% change) + iteration 33: trace = 4.458889473720157 (3.31307e-07% change) + linmin: converged after 20 iterations. + iteration 34: trace = 4.458889468163889 (1.24611e-07% change) + linmin: converged after 23 iterations. + iteration 35: trace = 4.458889466116732 (4.59118e-08% change) + linmin: converged after 15 iterations. + iteration 36: trace = 4.458889465242262 (1.96118e-08% change) + linmin: converged after 19 iterations. + iteration 37: trace = 4.458889464752221 (1.09902e-08% change) + linmin: converged after 2 iterations. + iteration 38: trace = 4.458889464463179 (6.48237e-09% change) + linmin: converged after 6 iterations. + iteration 39: trace = 4.458889464280353 (4.10026e-09% change) linmin: converged after 9 iterations. - iteration 42: trace = 4.458889463451237 (8.57182e-09% change) - linmin: converged after 4 iterations. - iteration 43: trace = 4.458889462992349 (1.02916e-08% change) - linmin: converged after 10 iterations. - iteration 44: trace = 4.458889462497355 (1.11013e-08% change) + iteration 40: trace = 4.458889464100627 (4.03072e-09% change) linmin: converged after 7 iterations. - iteration 45: trace = 4.458889462139591 (8.02362e-09% change) - linmin: converged after 5 iterations. - iteration 46: trace = 4.458889461932948 (4.6344e-09% change) - linmin: converged after 3 iterations. - iteration 47: trace = 4.458889461821263 (2.50477e-09% change) - linmin: converged after 15 iterations. - iteration 48: trace = 4.458889461773397 (1.07349e-09% change) + iteration 41: trace = 4.458889463833423 (5.99261e-09% change) linmin: converged after 4 iterations. - iteration 49: trace = 4.458889461754989 (4.12847e-10% change) + iteration 42: trace = 4.458889463451229 (8.57152e-09% change) + linmin: converged after 2 iterations. + iteration 43: trace = 4.458889462992351 (1.02913e-08% change) linmin: converged after 3 iterations. - iteration 50: trace = 4.458889461749082 (1.32483e-10% change) + iteration 44: trace = 4.458889462497361 (1.11012e-08% change) + linmin: converged after 6 iterations. + iteration 45: trace = 4.458889462139589 (8.02378e-09% change) + linmin: converged after 5 iterations. + iteration 46: trace = 4.458889461932944 (4.63446e-09% change) + linmin: converged after 4 iterations. + iteration 47: trace = 4.458889461821264 (2.50465e-09% change) + linmin: converged after 6 iterations. + iteration 48: trace = 4.458889461773404 (1.07337e-09% change) linmin: converged after 4 iterations. - iteration 51: trace = 4.458889461747205 (4.20894e-11% change) + iteration 49: trace = 4.458889461754984 (4.13106e-10% change) + linmin: converged after 3 iterations. + iteration 50: trace = 4.458889461749089 (1.32204e-10% change) + linmin: converged after 3 iterations. + iteration 51: trace = 4.458889461747202 (4.23085e-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: 1.7897045612335205 +elapsed time for k point: 1.3896920680999756 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. - iteration 1: trace = 4.492158134810435 (0.545791% change) + iteration 1: trace = 4.492158134806156 (0.545791% change) linmin: converged after 5 iterations. - iteration 2: trace = 4.485756356469138 (0.142612% change) + iteration 2: trace = 4.485756356465116 (0.142612% change) linmin: converged after 4 iterations. - iteration 3: trace = 4.483597723197324 (0.0481335% change) + iteration 3: trace = 4.483597723193555 (0.0481335% change) linmin: converged after 4 iterations. - iteration 4: trace = 4.482688838961172 (0.0202734% change) + iteration 4: trace = 4.482688838957766 (0.0202734% change) linmin: converged after 4 iterations. - iteration 5: trace = 4.482289052226116 (0.00891886% change) + iteration 5: trace = 4.482289052223098 (0.00891886% change) linmin: converged after 4 iterations. - iteration 6: trace = 4.482111886541759 (0.00395265% change) + iteration 6: trace = 4.482111886539142 (0.00395265% change) linmin: converged after 4 iterations. - iteration 7: trace = 4.481989042620977 (0.0027408% change) + iteration 7: trace = 4.481989042618848 (0.0027408% change) linmin: converged after 5 iterations. - iteration 8: trace = 4.481900761944479 (0.0019697% change) + iteration 8: trace = 4.481900761942839 (0.0019697% change) linmin: converged after 4 iterations. - iteration 9: trace = 4.481819566983678 (0.00181164% change) - linmin: converged after 11 iterations. - iteration 10: trace = 4.481727172835286 (0.00206155% change) - linmin: converged after 5 iterations. - iteration 11: trace = 4.481640274020497 (0.00193898% change) + iteration 9: trace = 4.481819566982582 (0.00181164% change) + linmin: converged after 7 iterations. + iteration 10: trace = 4.481727172834765 (0.00206155% change) + linmin: converged after 4 iterations. + iteration 11: trace = 4.481640274020339 (0.00193898% change) linmin: converged after 5 iterations. - iteration 12: trace = 4.481586984826245 (0.00118906% change) + iteration 12: trace = 4.481586984826237 (0.00118906% change) linmin: converged after 4 iterations. - iteration 13: trace = 4.481566235482783 (0.000462992% change) + iteration 13: trace = 4.481566235482778 (0.000462992% change) linmin: converged after 4 iterations. - iteration 14: trace = 4.481558614049639 (0.000170062% change) + iteration 14: trace = 4.481558614049644 (0.000170062% change) linmin: converged after 4 iterations. - iteration 15: trace = 4.481555960259469 (5.92158e-05% change) + iteration 15: trace = 4.481555960259473 (5.92158e-05% change) linmin: converged after 2 iterations. iteration 16: trace = 4.481555115788884 (1.88432e-05% change) - linmin: converged after 4 iterations. - iteration 17: trace = 4.481554758617261 (7.96981e-06% change) linmin: converged after 3 iterations. - iteration 18: trace = 4.481554675435285 (1.8561e-06% change) - linmin: converged after 2 iterations. - iteration 19: trace = 4.481554649662213 (5.75092e-07% change) - linmin: converged after 20 iterations. - iteration 20: trace = 4.481554642967496 (1.49384e-07% change) - linmin: converged after 4 iterations. - iteration 21: trace = 4.481554640848132 (4.72908e-08% change) - linmin: converged after 26 iterations. - iteration 22: trace = 4.481554640163115 (1.52853e-08% change) - linmin: converged after 2 iterations. - iteration 23: trace = 4.481554639855192 (6.87089e-09% change) - linmin: converged after 2 iterations. - iteration 24: trace = 4.481554639686864 (3.75603e-09% change) - linmin: converged after 7 iterations. - iteration 25: trace = 4.481554639614042 (1.62492e-09% change) + iteration 17: trace = 4.481554758617264 (7.96981e-06% change) + linmin: converged after 3 iterations. + iteration 18: trace = 4.48155467543528 (1.8561e-06% change) + linmin: converged after 3 iterations. + iteration 19: trace = 4.481554649662217 (5.75092e-07% change) linmin: converged after 3 iterations. - iteration 26: trace = 4.481554639589966 (5.37221e-10% change) + iteration 20: trace = 4.481554642967501 (1.49384e-07% change) + linmin: converged after 3 iterations. + iteration 21: trace = 4.481554640848132 (4.72909e-08% change) linmin: converged after 4 iterations. - iteration 27: trace = 4.4815546395829 (1.57656e-10% change) + iteration 22: trace = 4.48155464016311 (1.52854e-08% change) + linmin: converged after 14 iterations. + iteration 23: trace = 4.48155463985519 (6.87083e-09% change) + linmin: converged after 5 iterations. + iteration 24: trace = 4.48155463968686 (3.75607e-09% change) + linmin: converged after 7 iterations. + iteration 25: trace = 4.481554639614043 (1.62482e-09% change) + linmin: converged after 6 iterations. + iteration 26: trace = 4.481554639589961 (5.3736e-10% change) + linmin: converged after 9 iterations. + iteration 27: trace = 4.481554639582895 (1.57656e-10% change) linmin: converged after 3 iterations. - iteration 28: trace = 4.481554639580312 (5.77512e-11% change) + iteration 28: trace = 4.481554639580309 (5.77116e-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: 0.34413933753967285 +elapsed time for k point: 0.6270086765289307 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. - iteration 1: trace = 4.543019728981382 (0.515577% change) + iteration 1: trace = 4.543019728981141 (0.515577% change) linmin: converged after 4 iterations. - iteration 2: trace = 4.537380948824323 (0.124197% change) + iteration 2: trace = 4.537380948824073 (0.124197% change) linmin: converged after 4 iterations. - iteration 3: trace = 4.535410322887141 (0.0434403% change) + iteration 3: trace = 4.535410322886904 (0.0434403% change) linmin: converged after 4 iterations. - iteration 4: trace = 4.534688093374426 (0.0159255% change) + iteration 4: trace = 4.534688093374218 (0.0159255% change) linmin: converged after 4 iterations. - iteration 5: trace = 4.534407372581668 (0.00619071% change) + iteration 5: trace = 4.534407372581488 (0.00619071% change) linmin: converged after 4 iterations. - iteration 6: trace = 4.534314483914038 (0.00204855% change) + iteration 6: trace = 4.534314483913888 (0.00204855% change) linmin: converged after 4 iterations. - iteration 7: trace = 4.534272775349741 (0.000919847% change) + iteration 7: trace = 4.534272775349621 (0.000919847% change) linmin: converged after 5 iterations. - iteration 8: trace = 4.534256408390616 (0.000360962% change) + iteration 8: trace = 4.53425640839052 (0.000360962% change) + linmin: converged after 5 iterations. + iteration 9: trace = 4.534250296428466 (0.000134795% change) linmin: converged after 4 iterations. - iteration 9: trace = 4.534250296428544 (0.000134795% change) + iteration 10: trace = 4.534247094429852 (7.06181e-05% change) linmin: converged after 5 iterations. - iteration 10: trace = 4.534247094429912 (7.06181e-05% change) - linmin: converged after 6 iterations. - iteration 11: trace = 4.534244850399139 (4.94907e-05% change) + iteration 11: trace = 4.534244850399098 (4.94907e-05% change) linmin: converged after 5 iterations. - iteration 12: trace = 4.534242751424729 (4.62916e-05% change) + iteration 12: trace = 4.534242751424718 (4.62916e-05% change) linmin: converged after 3 iterations. - iteration 13: trace = 4.534241209054217 (3.40161e-05% change) - linmin: converged after 5 iterations. - iteration 14: trace = 4.534240295109208 (2.01565e-05% change) + iteration 13: trace = 4.534241209054214 (3.40161e-05% change) + linmin: converged after 6 iterations. + iteration 14: trace = 4.534240295109202 (2.01565e-05% change) linmin: converged after 5 iterations. - iteration 15: trace = 4.534239883207023 (9.08426e-06% change) - linmin: converged after 10 iterations. - iteration 16: trace = 4.53423965965363 (4.93034e-06% change) - linmin: converged after 3 iterations. - iteration 17: trace = 4.534239494917928 (3.63315e-06% change) - linmin: converged after 3 iterations. - iteration 18: trace = 4.534239415265824 (1.75668e-06% change) - linmin: converged after 2 iterations. - iteration 19: trace = 4.534239379667379 (7.85103e-07% change) - linmin: converged after 2 iterations. - iteration 20: trace = 4.534239370364448 (2.05171e-07% change) + iteration 15: trace = 4.534239883207022 (9.08426e-06% change) linmin: converged after 4 iterations. - iteration 21: trace = 4.534239368024672 (5.16024e-08% change) + iteration 16: trace = 4.534239659653624 (4.93034e-06% change) linmin: converged after 4 iterations. + iteration 17: trace = 4.534239494917881 (3.63315e-06% change) + linmin: converged after 3 iterations. + iteration 18: trace = 4.534239415265837 (1.75668e-06% change) + linmin: converged after 2 iterations. + iteration 19: trace = 4.534239379667364 (7.85104e-07% change) + linmin: converged after 3 iterations. + iteration 20: trace = 4.534239370364455 (2.0517e-07% change) + linmin: converged after 12 iterations. + iteration 21: trace = 4.534239368024675 (5.16025e-08% change) + linmin: converged after 8 iterations. iteration 22: trace = 4.534239367497577 (1.16248e-08% change) - linmin: converged after 6 iterations. - iteration 23: trace = 4.534239367336919 (3.54322e-09% change) - linmin: converged after 10 iterations. - iteration 24: trace = 4.534239367284073 (1.16548e-09% change) - linmin: converged after 6 iterations. - iteration 25: trace = 4.534239367267453 (3.66535e-10% change) - linmin: converged after 7 iterations. - iteration 26: trace = 4.534239367261494 (1.31437e-10% change) linmin: converged after 5 iterations. - iteration 27: trace = 4.534239367259114 (5.24769e-11% change) + iteration 23: trace = 4.534239367336914 (3.54332e-09% change) + linmin: converged after 7 iterations. + iteration 24: trace = 4.534239367284076 (1.16532e-09% change) + linmin: converged after 4 iterations. + iteration 25: trace = 4.534239367267453 (3.66594e-10% change) + linmin: converged after 4 iterations. + iteration 26: trace = 4.53423936726149 (1.31516e-10% change) + linmin: converged after 4 iterations. + iteration 27: trace = 4.534239367259119 (5.23006e-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: 0.8834168910980225 +elapsed time for k point: 0.5970044136047363 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. - iteration 1: trace = 4.621404992370209 (0.557147% change) + iteration 1: trace = 4.62140499236056 (0.557147% change) linmin: converged after 4 iterations. - iteration 2: trace = 4.614041347481714 (0.159465% change) + iteration 2: trace = 4.614041347471986 (0.159465% change) linmin: converged after 4 iterations. - iteration 3: trace = 4.610477696476134 (0.0772648% change) + iteration 3: trace = 4.610477696469292 (0.0772648% change) linmin: converged after 4 iterations. - iteration 4: trace = 4.608710813620799 (0.0383306% change) + iteration 4: trace = 4.608710813616125 (0.0383306% change) linmin: converged after 4 iterations. - iteration 5: trace = 4.607863233753939 (0.0183925% change) + iteration 5: trace = 4.60786323375084 (0.0183925% change) linmin: converged after 4 iterations. - iteration 6: trace = 4.607531544209546 (0.0071986% change) + iteration 6: trace = 4.607531544207514 (0.0071986% change) linmin: converged after 4 iterations. - iteration 7: trace = 4.607374227313989 (0.0034144% change) + iteration 7: trace = 4.607374227312677 (0.0034144% change) linmin: converged after 4 iterations. - iteration 8: trace = 4.607318349688435 (0.00121279% change) + iteration 8: trace = 4.607318349687505 (0.00121279% change) linmin: converged after 4 iterations. - iteration 9: trace = 4.607296971210599 (0.000464012% change) + iteration 9: trace = 4.607296971209914 (0.000464012% change) linmin: converged after 5 iterations. - iteration 10: trace = 4.607286359308265 (0.000230328% change) + iteration 10: trace = 4.607286359307773 (0.000230328% change) linmin: converged after 5 iterations. - iteration 11: trace = 4.607280058156947 (0.000136765% change) - linmin: converged after 6 iterations. - iteration 12: trace = 4.607276056852193 (8.68475e-05% change) - linmin: converged after 3 iterations. - iteration 13: trace = 4.607274338045313 (3.73064e-05% change) - linmin: converged after 14 iterations. - iteration 14: trace = 4.607273686828396 (1.41345e-05% change) - linmin: converged after 2 iterations. - iteration 15: trace = 4.607273491056637 (4.24919e-06% change) - linmin: converged after 8 iterations. - iteration 16: trace = 4.607273423326331 (1.47007e-06% change) + iteration 11: trace = 4.607280058156617 (0.000136765% change) + linmin: converged after 5 iterations. + iteration 12: trace = 4.607276056851984 (8.68475e-05% change) + linmin: converged after 4 iterations. + iteration 13: trace = 4.607274338045175 (3.73064e-05% change) linmin: converged after 2 iterations. - iteration 17: trace = 4.607273396454911 (5.83239e-07% change) - linmin: converged after 3 iterations. - iteration 18: trace = 4.607273383999481 (2.70343e-07% change) + iteration 14: trace = 4.607273686828301 (1.41345e-05% change) linmin: converged after 2 iterations. - iteration 19: trace = 4.607273373222249 (2.33918e-07% change) + iteration 15: trace = 4.607273491056451 (4.24919e-06% change) + linmin: converged after 27 iterations. + iteration 16: trace = 4.607273423326224 (1.47007e-06% change) linmin: converged after 2 iterations. - iteration 20: trace = 4.607273363837924 (2.03685e-07% change) + iteration 17: trace = 4.607273396454783 (5.8324e-07% change) linmin: converged after 4 iterations. - iteration 21: trace = 4.607273356409602 (1.6123e-07% change) - linmin: converged after 32 iterations. - iteration 22: trace = 4.607273352713722 (8.02184e-08% change) + iteration 18: trace = 4.607273383999416 (2.70341e-07% change) linmin: converged after 2 iterations. - iteration 23: trace = 4.607273351035138 (3.64334e-08% change) - linmin: converged after 4 iterations. - iteration 24: trace = 4.607273350488992 (1.1854e-08% change) + iteration 19: trace = 4.607273373222213 (2.33917e-07% change) linmin: converged after 2 iterations. - iteration 25: trace = 4.607273350318334 (3.7041e-09% change) + iteration 20: trace = 4.607273363837909 (2.03685e-07% change) linmin: converged after 3 iterations. - iteration 26: trace = 4.607273350261742 (1.2283e-09% change) - linmin: converged after 4 iterations. - iteration 27: trace = 4.607273350235109 (5.78082e-10% change) + iteration 21: trace = 4.607273356409589 (1.6123e-07% change) + linmin: converged after 3 iterations. + iteration 22: trace = 4.607273352713706 (8.02185e-08% change) linmin: converged after 2 iterations. - iteration 28: trace = 4.607273350217994 (3.71463e-10% change) - linmin: converged after 4 iterations. - iteration 29: trace = 4.607273350209258 (1.89616e-10% change) + iteration 23: trace = 4.607273351035124 (3.64333e-08% change) linmin: converged after 4 iterations. - iteration 30: trace = 4.607273350205852 (7.39302e-11% change) + iteration 24: trace = 4.607273350488977 (1.1854e-08% change) + linmin: converged after 2 iterations. + iteration 25: trace = 4.607273350318335 (3.70376e-09% change) + linmin: converged after 3 iterations. + iteration 26: trace = 4.607273350261741 (1.22836e-09% change) + linmin: converged after 3 iterations. + iteration 27: trace = 4.607273350235106 (5.78101e-10% change) + linmin: converged after 6 iterations. + iteration 28: trace = 4.607273350217992 (3.71463e-10% change) + linmin: converged after 3 iterations. + iteration 29: trace = 4.60727335020926 (1.8952e-10% change) + linmin: converged after 2 iterations. + iteration 30: trace = 4.607273350205851 (7.3988e-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: 1.0738492012023926 +elapsed time for k point: 0.6588380336761475 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. - iteration 1: trace = 4.692438286161613 (0.712878% change) + iteration 1: trace = 4.692438286199994 (0.712878% change) linmin: converged after 5 iterations. - iteration 2: trace = 4.678587559242676 (0.295607% change) + iteration 2: trace = 4.678587559271376 (0.295607% change) linmin: converged after 5 iterations. - iteration 3: trace = 4.669219826084261 (0.200426% change) + iteration 3: trace = 4.669219826102063 (0.200426% change) linmin: converged after 5 iterations. - iteration 4: trace = 4.662995938248581 (0.133385% change) + iteration 4: trace = 4.662995938258768 (0.133385% change) linmin: converged after 4 iterations. - iteration 5: trace = 4.6593821617716 (0.0775291% change) + iteration 5: trace = 4.659382161777788 (0.0775291% change) linmin: converged after 4 iterations. - iteration 6: trace = 4.657411795582307 (0.0422971% change) + iteration 6: trace = 4.657411795586118 (0.0422971% change) linmin: converged after 4 iterations. - iteration 7: trace = 4.656216146534482 (0.0256753% change) + iteration 7: trace = 4.656216146536611 (0.0256753% change) linmin: converged after 4 iterations. - iteration 8: trace = 4.655574406991427 (0.0137834% change) + iteration 8: trace = 4.655574406992657 (0.0137834% change) linmin: converged after 4 iterations. - iteration 9: trace = 4.655148468919919 (0.00914941% change) + iteration 9: trace = 4.65514846892051 (0.00914941% change) linmin: converged after 4 iterations. - iteration 10: trace = 4.654836684042397 (0.00669786% change) + iteration 10: trace = 4.654836684042657 (0.00669786% change) linmin: converged after 4 iterations. - iteration 11: trace = 4.654665296959227 (0.00368198% change) + iteration 11: trace = 4.65466529695931 (0.00368198% change) linmin: converged after 4 iterations. - iteration 12: trace = 4.654604621969535 (0.00130354% change) + iteration 12: trace = 4.654604621969561 (0.00130354% change) linmin: converged after 4 iterations. - iteration 13: trace = 4.654589608102686 (0.00032256% change) - linmin: converged after 5 iterations. - iteration 14: trace = 4.654585491988867 (8.84313e-05% change) + iteration 13: trace = 4.654589608102693 (0.00032256% change) + linmin: converged after 4 iterations. + iteration 14: trace = 4.654585491988872 (8.84313e-05% change) linmin: converged after 4 iterations. - iteration 15: trace = 4.65458439175692 (2.36376e-05% change) + iteration 15: trace = 4.654584391756919 (2.36376e-05% change) + linmin: converged after 9 iterations. + iteration 16: trace = 4.654584007912178 (8.2466e-06% change) + linmin: converged after 16 iterations. + iteration 17: trace = 4.654583872099873 (2.91782e-06% change) linmin: converged after 2 iterations. - iteration 16: trace = 4.654584007912184 (8.2466e-06% change) + iteration 18: trace = 4.654583818003333 (1.16222e-06% change) linmin: converged after 2 iterations. - iteration 17: trace = 4.654583872099502 (2.91783e-06% change) + iteration 19: trace = 4.654583786952179 (6.67109e-07% change) linmin: converged after 2 iterations. - iteration 18: trace = 4.654583818003206 (1.16222e-06% change) + iteration 20: trace = 4.654583768788808 (3.90225e-07% change) linmin: converged after 2 iterations. - iteration 19: trace = 4.654583786952055 (6.67109e-07% change) - linmin: converged after 6 iterations. - iteration 20: trace = 4.65458376878888 (3.90221e-07% change) + iteration 21: trace = 4.654583758229737 (2.26853e-07% change) linmin: converged after 2 iterations. - iteration 21: trace = 4.654583758229818 (2.26853e-07% change) + iteration 22: trace = 4.65458375413065 (8.80656e-08% change) linmin: converged after 2 iterations. - iteration 22: trace = 4.654583754130688 (8.80665e-08% change) - linmin: converged after 3 iterations. - iteration 23: trace = 4.654583752195757 (4.15704e-08% change) - linmin: converged after 9 iterations. - iteration 24: trace = 4.654583750968563 (2.63653e-08% change) - linmin: converged after 21 iterations. - iteration 25: trace = 4.654583749955053 (2.17745e-08% change) + iteration 23: trace = 4.654583752195744 (4.15699e-08% change) linmin: converged after 4 iterations. - iteration 26: trace = 4.654583749144853 (1.74065e-08% change) - linmin: converged after 11 iterations. - iteration 27: trace = 4.654583748504248 (1.37629e-08% change) - linmin: converged after 4 iterations. - iteration 28: trace = 4.65458374816155 (7.36258e-09% change) - linmin: converged after 3 iterations. - iteration 29: trace = 4.654583748037949 (2.65546e-09% change) - linmin: converged after 4 iterations. - iteration 30: trace = 4.654583747984038 (1.15825e-09% change) + iteration 24: trace = 4.654583750968559 (2.63651e-08% change) + linmin: converged after 23 iterations. + iteration 25: trace = 4.654583749955047 (2.17745e-08% change) linmin: converged after 4 iterations. - iteration 31: trace = 4.654583747952652 (6.74294e-10% change) + iteration 26: trace = 4.654583749144852 (1.74064e-08% change) + linmin: converged after 13 iterations. + iteration 27: trace = 4.654583748504241 (1.3763e-08% change) linmin: converged after 4 iterations. - iteration 32: trace = 4.654583747932771 (4.27146e-10% change) - linmin: converged after 5 iterations. - iteration 33: trace = 4.654583747920531 (2.62947e-10% change) + iteration 28: trace = 4.654583748161549 (7.36245e-09% change) + linmin: converged after 2 iterations. + iteration 29: trace = 4.654583748037946 (2.65552e-09% change) linmin: converged after 3 iterations. - iteration 34: trace = 4.654583747914252 (1.34908e-10% change) + iteration 30: trace = 4.654583747984042 (1.15807e-09% change) + linmin: converged after 6 iterations. + iteration 31: trace = 4.654583747952655 (6.74332e-10% change) + linmin: converged after 7 iterations. + iteration 32: trace = 4.654583747932773 (4.27146e-10% change) + linmin: converged after 3 iterations. + iteration 33: trace = 4.65458374792053 (2.63043e-10% change) + linmin: converged after 2 iterations. + iteration 34: trace = 4.654583747914254 (1.34832e-10% change) linmin: converged after 4 iterations. - iteration 35: trace = 4.654583747911475 (5.96688e-11% change) + iteration 35: trace = 4.654583747911477 (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: 0.45288610458374023 +elapsed time for k point: 4.164562702178955 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 4.663405538594725 (0.126187% change) + iteration 1: trace = 4.663405538594805 (0.126187% change) linmin: converged after 4 iterations. - iteration 2: trace = 4.661028794315087 (0.0509788% change) + iteration 2: trace = 4.661028794314987 (0.0509788% change) linmin: converged after 4 iterations. - iteration 3: trace = 4.659462455612632 (0.0336106% change) + iteration 3: trace = 4.659462455612483 (0.0336106% change) linmin: converged after 4 iterations. - iteration 4: trace = 4.658444596655599 (0.0218474% change) + iteration 4: trace = 4.658444596655317 (0.0218474% change) linmin: converged after 4 iterations. - iteration 5: trace = 4.658018186979143 (0.0091539% change) + iteration 5: trace = 4.658018186978972 (0.0091539% change) linmin: converged after 4 iterations. - iteration 6: trace = 4.657889867112118 (0.00275485% change) + iteration 6: trace = 4.657889867112027 (0.00275485% change) linmin: converged after 4 iterations. - iteration 7: trace = 4.657833401920476 (0.00121226% change) + iteration 7: trace = 4.657833401920406 (0.00121226% change) linmin: converged after 4 iterations. - iteration 8: trace = 4.657812047553699 (0.000458462% change) + iteration 8: trace = 4.657812047553676 (0.000458462% change) linmin: converged after 5 iterations. iteration 9: trace = 4.657804893687841 (0.000153589% change) linmin: converged after 2 iterations. - iteration 10: trace = 4.657803287529443 (3.44832e-05% change) - linmin: converged after 3 iterations. - iteration 11: trace = 4.657802747123325 (1.16022e-05% change) - linmin: converged after 3 iterations. - iteration 12: trace = 4.657802583154826 (3.5203e-06% change) - linmin: converged after 3 iterations. - iteration 13: trace = 4.657802512506777 (1.51677e-06% change) - linmin: converged after 19 iterations. - iteration 14: trace = 4.657802482770913 (6.3841e-07% change) - linmin: converged after 2 iterations. - iteration 15: trace = 4.657802459850049 (4.92096e-07% change) + iteration 10: trace = 4.657803287529449 (3.44832e-05% change) + linmin: converged after 6 iterations. + iteration 11: trace = 4.657802747123332 (1.16022e-05% change) + linmin: converged after 4 iterations. + iteration 12: trace = 4.657802583154885 (3.5203e-06% change) linmin: converged after 6 iterations. - iteration 16: trace = 4.657802440944289 (4.05894e-07% change) + iteration 13: trace = 4.657802512506884 (1.51677e-06% change) + linmin: converged after 4 iterations. + iteration 14: trace = 4.657802482770965 (6.38411e-07% change) + linmin: converged after 2 iterations. + iteration 15: trace = 4.657802459850075 (4.92097e-07% change) + linmin: converged after 4 iterations. + iteration 16: trace = 4.657802440944291 (4.05895e-07% change) + linmin: converged after 2 iterations. + iteration 17: trace = 4.657802424135108 (3.60882e-07% change) + linmin: converged after 2 iterations. + iteration 18: trace = 4.657802413141324 (2.36029e-07% change) linmin: converged after 2 iterations. - iteration 17: trace = 4.657802424135102 (3.60882e-07% change) + iteration 19: trace = 4.657802408226848 (1.05511e-07% change) + linmin: converged after 2 iterations. + iteration 20: trace = 4.657802405927233 (4.93712e-08% change) linmin: converged after 4 iterations. - iteration 18: trace = 4.657802413141312 (2.3603e-07% change) + iteration 21: trace = 4.65780240438896 (3.30257e-08% change) + linmin: converged after 17 iterations. + iteration 22: trace = 4.657802403523625 (1.85782e-08% change) + linmin: converged after 9 iterations. + iteration 23: trace = 4.657802403119733 (8.6713e-09% change) + linmin: converged after 13 iterations. + iteration 24: trace = 4.657802402939375 (3.87219e-09% change) + linmin: converged after 7 iterations. + iteration 25: trace = 4.657802402884992 (1.16755e-09% change) linmin: converged after 4 iterations. - iteration 19: trace = 4.65780240822683 (1.05511e-07% change) - linmin: converged after 22 iterations. - iteration 20: trace = 4.657802405927216 (4.93712e-08% change) + iteration 26: trace = 4.657802402867801 (3.69092e-10% change) linmin: converged after 4 iterations. - iteration 21: trace = 4.657802404388955 (3.30254e-08% change) - linmin: converged after 3 iterations. - iteration 22: trace = 4.657802403523622 (1.85782e-08% change) - linmin: converged after 5 iterations. - iteration 23: trace = 4.657802403119729 (8.67132e-09% change) - linmin: converged after 18 iterations. - iteration 24: trace = 4.657802402939372 (3.87215e-09% change) - linmin: converged after 12 iterations. - iteration 25: trace = 4.657802402884993 (1.16748e-09% change) - linmin: converged after 6 iterations. - iteration 26: trace = 4.657802402867802 (3.69092e-10% change) - linmin: converged after 3 iterations. - iteration 27: trace = 4.65780240286291 (1.05011e-10% change) + iteration 27: trace = 4.657802402862909 (1.0503e-10% change) linmin: converged after 3 iterations. - iteration 28: trace = 4.657802402861527 (2.96898e-11% change) + iteration 28: trace = 4.657802402861526 (2.96898e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.276103, 0.493884, 0.623964, 0.680084, 0.79654, 0.952442, 0.963435, 1.00796 -elapsed time for k point: 0.5289201736450195 +elapsed time for k point: 0.7470443248748779 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 4.672735728063688 (0.129732% change) + iteration 1: trace = 4.672735728067781 (0.129732% change) linmin: converged after 4 iterations. - iteration 2: trace = 4.670213935693525 (0.0539828% change) + iteration 2: trace = 4.670213935696863 (0.0539828% change) + linmin: converged after 6 iterations. + iteration 3: trace = 4.668592631124202 (0.0347219% change) linmin: converged after 4 iterations. - iteration 3: trace = 4.668592631121893 (0.0347219% change) + iteration 4: trace = 4.667637099611687 (0.0204693% change) linmin: converged after 4 iterations. - iteration 4: trace = 4.667637099610609 (0.0204693% change) + iteration 5: trace = 4.667264545138847 (0.00798197% change) linmin: converged after 4 iterations. - iteration 5: trace = 4.667264545138631 (0.00798197% change) + iteration 6: trace = 4.667162918369823 (0.00217746% change) linmin: converged after 4 iterations. - iteration 6: trace = 4.667162918369607 (0.00217746% change) + iteration 7: trace = 4.667121297308879 (0.000891789% change) linmin: converged after 4 iterations. - iteration 7: trace = 4.66712129730869 (0.000891789% change) + iteration 8: trace = 4.66710588950992 (0.000330136% change) + linmin: converged after 5 iterations. + iteration 9: trace = 4.667099608686737 (0.000134576% change) + linmin: converged after 3 iterations. + iteration 10: trace = 4.667097710975174 (4.06615e-05% change) linmin: converged after 4 iterations. - iteration 8: trace = 4.667105889509807 (0.000330136% change) - linmin: converged after 6 iterations. - iteration 9: trace = 4.667099608686656 (0.000134576% change) - linmin: converged after 7 iterations. - iteration 10: trace = 4.667097710975093 (4.06615e-05% change) + iteration 11: trace = 4.667096867241803 (1.80783e-05% change) linmin: converged after 3 iterations. - iteration 11: trace = 4.667096867241733 (1.80783e-05% change) + iteration 12: trace = 4.667096564921188 (6.4777e-06% change) linmin: converged after 3 iterations. - iteration 12: trace = 4.667096564921129 (6.4777e-06% change) - linmin: converged after 4 iterations. - iteration 13: trace = 4.667096423536293 (3.0294e-06% change) + iteration 13: trace = 4.667096423536345 (3.0294e-06% change) linmin: converged after 2 iterations. - iteration 14: trace = 4.667096341918425 (1.74879e-06% change) - linmin: converged after 17 iterations. - iteration 15: trace = 4.667096252444979 (1.91711e-06% change) - linmin: converged after 9 iterations. - iteration 16: trace = 4.667096174501552 (1.67006e-06% change) + iteration 14: trace = 4.667096341918459 (1.74879e-06% change) linmin: converged after 2 iterations. - iteration 17: trace = 4.667096128228557 (9.91473e-07% change) + iteration 15: trace = 4.667096252444997 (1.91711e-06% change) linmin: converged after 2 iterations. - iteration 18: trace = 4.667096109588009 (3.99404e-07% change) + iteration 16: trace = 4.667096174501559 (1.67006e-06% change) linmin: converged after 2 iterations. - iteration 19: trace = 4.667096103668014 (1.26845e-07% change) + iteration 17: trace = 4.667096128228559 (9.91473e-07% change) + linmin: converged after 2 iterations. + iteration 18: trace = 4.667096109588011 (3.99404e-07% change) + linmin: converged after 2 iterations. + iteration 19: trace = 4.667096103668016 (1.26845e-07% change) linmin: converged after 4 iterations. - iteration 20: trace = 4.667096101434466 (4.78573e-08% change) + iteration 20: trace = 4.667096101434464 (4.78574e-08% change) linmin: converged after 4 iterations. - iteration 21: trace = 4.667096100309837 (2.4097e-08% change) - linmin: converged after 5 iterations. - iteration 22: trace = 4.667096099663393 (1.38511e-08% change) - linmin: converged after 2 iterations. - iteration 23: trace = 4.667096099284748 (8.11307e-09% change) + iteration 21: trace = 4.667096100309835 (2.4097e-08% change) + linmin: converged after 21 iterations. + iteration 22: trace = 4.667096099663391 (1.38511e-08% change) + linmin: converged after 23 iterations. + iteration 23: trace = 4.667096099284757 (8.11284e-09% change) linmin: converged after 3 iterations. - iteration 24: trace = 4.667096099089914 (4.17464e-09% change) - linmin: converged after 5 iterations. - iteration 25: trace = 4.667096099007754 (1.76041e-09% change) - linmin: converged after 2 iterations. - iteration 26: trace = 4.667096098964766 (9.21083e-10% change) - linmin: converged after 2 iterations. - iteration 27: trace = 4.667096098939575 (5.39766e-10% change) + iteration 24: trace = 4.667096099089912 (4.17487e-09% change) + linmin: converged after 4 iterations. + iteration 25: trace = 4.667096099007758 (1.76028e-09% change) linmin: converged after 6 iterations. - iteration 28: trace = 4.667096098919733 (4.25145e-10% change) - linmin: converged after 9 iterations. - iteration 29: trace = 4.667096098902281 (3.73933e-10% change) + iteration 26: trace = 4.667096098964763 (9.21235e-10% change) + linmin: converged after 4 iterations. + iteration 27: trace = 4.667096098939575 (5.39709e-10% change) linmin: converged after 3 iterations. - iteration 30: trace = 4.667096098892163 (2.16797e-10% change) - linmin: converged after 6 iterations. - iteration 31: trace = 4.667096098888664 (7.49617e-11% change) + iteration 28: trace = 4.667096098919739 (4.25011e-10% change) + linmin: converged after 3 iterations. + iteration 29: trace = 4.667096098902278 (3.74123e-10% change) + linmin: converged after 3 iterations. + iteration 30: trace = 4.667096098892165 (2.16702e-10% change) + linmin: converged after 2 iterations. + iteration 31: trace = 4.667096098888666 (7.49617e-11% change) 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: 1.8972735404968262 +elapsed time for k point: 0.8809053897857666 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 4.687244093033342 (0.138258% change) + iteration 1: trace = 4.68724409303374 (0.138258% change) linmin: converged after 4 iterations. - iteration 2: trace = 4.68450112164867 (0.058537% change) - linmin: converged after 10 iterations. - iteration 3: trace = 4.682869930578359 (0.0348271% change) + iteration 2: trace = 4.684501121648906 (0.058537% change) + linmin: converged after 5 iterations. + iteration 3: trace = 4.68286993057846 (0.0348271% change) linmin: converged after 4 iterations. - iteration 4: trace = 4.682034068317738 (0.017851% change) + iteration 4: trace = 4.682034068317714 (0.017851% change) linmin: converged after 4 iterations. - iteration 5: trace = 4.681730640009381 (0.0064809% change) + iteration 5: trace = 4.681730640009308 (0.0064809% change) linmin: converged after 4 iterations. - iteration 6: trace = 4.681655106921975 (0.00161337% change) + iteration 6: trace = 4.681655106921903 (0.00161337% change) linmin: converged after 3 iterations. - iteration 7: trace = 4.681629472566017 (0.000547551% change) + iteration 7: trace = 4.681629472565953 (0.000547551% change) linmin: converged after 4 iterations. - iteration 8: trace = 4.681621443725679 (0.000171497% change) + iteration 8: trace = 4.681621443725628 (0.000171497% change) linmin: converged after 5 iterations. - iteration 9: trace = 4.681618077223716 (7.19089e-05% change) + iteration 9: trace = 4.681618077223676 (7.19089e-05% change) linmin: converged after 2 iterations. - iteration 10: trace = 4.681616737997851 (2.86061e-05% change) + iteration 10: trace = 4.681616737997818 (2.86061e-05% change) linmin: converged after 4 iterations. - iteration 11: trace = 4.681615858546173 (1.87852e-05% change) + iteration 11: trace = 4.681615858546149 (1.87852e-05% change) linmin: converged after 3 iterations. - iteration 12: trace = 4.681615429378753 (9.16708e-06% change) - linmin: converged after 8 iterations. - iteration 13: trace = 4.681615194362259 (5.01999e-06% change) + iteration 12: trace = 4.681615429378741 (9.16708e-06% change) + linmin: converged after 3 iterations. + iteration 13: trace = 4.681615194362249 (5.01999e-06% change) linmin: converged after 2 iterations. - iteration 14: trace = 4.681615039712025 (3.30335e-06% change) - linmin: converged after 13 iterations. - iteration 15: trace = 4.681614869242011 (3.64127e-06% change) - linmin: converged after 5 iterations. - iteration 16: trace = 4.681614726230269 (3.05475e-06% change) + iteration 14: trace = 4.681615039711974 (3.30335e-06% change) + linmin: converged after 4 iterations. + iteration 15: trace = 4.681614869241988 (3.64126e-06% change) + linmin: converged after 16 iterations. + iteration 16: trace = 4.68161472623034 (3.05475e-06% change) linmin: converged after 2 iterations. - iteration 17: trace = 4.681614658041394 (1.45652e-06% change) + iteration 17: trace = 4.681614658041417 (1.45653e-06% change) + linmin: converged after 3 iterations. + iteration 18: trace = 4.681614630400924 (5.90405e-07% change) linmin: converged after 10 iterations. - iteration 18: trace = 4.681614630400899 (5.90405e-07% change) - linmin: converged after 37 iterations. - iteration 19: trace = 4.681614620951699 (2.01836e-07% change) - linmin: converged after 2 iterations. - iteration 20: trace = 4.681614615856844 (1.08827e-07% change) + iteration 19: trace = 4.681614620951711 (2.01837e-07% change) + linmin: converged after 27 iterations. + iteration 20: trace = 4.68161461585685 (1.08827e-07% change) linmin: converged after 2 iterations. - iteration 21: trace = 4.681614612123169 (7.97519e-08% change) + iteration 21: trace = 4.681614612123162 (7.97521e-08% change) linmin: converged after 2 iterations. - iteration 22: trace = 4.681614608813798 (7.06887e-08% change) + iteration 22: trace = 4.681614608813802 (7.06884e-08% change) linmin: converged after 2 iterations. - iteration 23: trace = 4.681614606613888 (4.69904e-08% change) + iteration 23: trace = 4.68161460661389 (4.69905e-08% change) linmin: converged after 3 iterations. - iteration 24: trace = 4.681614605684864 (1.98441e-08% change) - linmin: converged after 3 iterations. - iteration 25: trace = 4.681614605285613 (8.52805e-09% change) - linmin: converged after 2 iterations. - iteration 26: trace = 4.681614605099327 (3.97911e-09% change) - linmin: converged after 13 iterations. - iteration 27: trace = 4.681614605024984 (1.58798e-09% change) + iteration 24: trace = 4.681614605684866 (1.98441e-08% change) linmin: converged after 4 iterations. - iteration 28: trace = 4.681614605000402 (5.25059e-10% change) + iteration 25: trace = 4.68161460528561 (8.52816e-09% change) linmin: converged after 3 iterations. - iteration 29: trace = 4.681614604988976 (2.4407e-10% change) + iteration 26: trace = 4.681614605099326 (3.97905e-09% change) + linmin: converged after 6 iterations. + iteration 27: trace = 4.681614605024981 (1.58802e-09% change) + linmin: converged after 6 iterations. + iteration 28: trace = 4.681614605000403 (5.24983e-10% change) linmin: converged after 4 iterations. - iteration 30: trace = 4.681614604983469 (1.17624e-10% change) + iteration 29: trace = 4.681614604988978 (2.44051e-10% change) linmin: converged after 5 iterations. - iteration 31: trace = 4.681614604980835 (5.62698e-11% change) + iteration 30: trace = 4.681614604983466 (1.17738e-10% change) + linmin: converged after 6 iterations. + iteration 31: trace = 4.681614604980838 (5.6137e-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: 1.3643600940704346 +elapsed time for k point: 0.8088340759277344 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 4.70568345023703 (0.150475% change) + iteration 1: trace = 4.705683450233681 (0.150475% change) linmin: converged after 4 iterations. - iteration 2: trace = 4.70269396740059 (0.0635494% change) + iteration 2: trace = 4.702693967398481 (0.0635494% change) linmin: converged after 4 iterations. - iteration 3: trace = 4.701070860686399 (0.0345204% change) + iteration 3: trace = 4.70107086068539 (0.0345204% change) linmin: converged after 4 iterations. - iteration 4: trace = 4.700326710702802 (0.0158306% change) + iteration 4: trace = 4.700326710701948 (0.0158306% change) linmin: converged after 4 iterations. - iteration 5: trace = 4.700066397545958 (0.00553835% change) + iteration 5: trace = 4.700066397544948 (0.00553835% change) linmin: converged after 4 iterations. - iteration 6: trace = 4.699999664101608 (0.00141985% change) + iteration 6: trace = 4.699999664100516 (0.00141985% change) linmin: converged after 3 iterations. - iteration 7: trace = 4.69997861695964 (0.000447813% change) + iteration 7: trace = 4.6999786169586 (0.000447813% change) linmin: converged after 4 iterations. - iteration 8: trace = 4.699972034549861 (0.000140052% change) + iteration 8: trace = 4.699972034548884 (0.000140052% change) linmin: converged after 4 iterations. - iteration 9: trace = 4.699969000631697 (6.45519e-05% change) - linmin: converged after 5 iterations. - iteration 10: trace = 4.699967170930496 (3.89301e-05% change) - linmin: converged after 5 iterations. - iteration 11: trace = 4.699965319407529 (3.93944e-05% change) + iteration 9: trace = 4.69996900063083 (6.45519e-05% change) + linmin: converged after 4 iterations. + iteration 10: trace = 4.699967170929755 (3.89301e-05% change) linmin: converged after 5 iterations. - iteration 12: trace = 4.699964030427122 (2.74253e-05% change) + iteration 11: trace = 4.699965319406983 (3.93944e-05% change) + linmin: converged after 4 iterations. + iteration 12: trace = 4.699964030426728 (2.74253e-05% change) linmin: converged after 2 iterations. - iteration 13: trace = 4.699963193699963 (1.78028e-05% change) + iteration 13: trace = 4.699963193699679 (1.78028e-05% change) linmin: converged after 3 iterations. - iteration 14: trace = 4.699962560785234 (1.34664e-05% change) + iteration 14: trace = 4.69996256078505 (1.34664e-05% change) linmin: converged after 3 iterations. - iteration 15: trace = 4.699961832691105 (1.54915e-05% change) + iteration 15: trace = 4.699961832691017 (1.54915e-05% change) + linmin: converged after 5 iterations. + iteration 16: trace = 4.699961225600784 (1.29169e-05% change) linmin: converged after 3 iterations. - iteration 16: trace = 4.699961225600818 (1.29169e-05% change) - linmin: converged after 4 iterations. - iteration 17: trace = 4.699960906583683 (6.78765e-06% change) + iteration 17: trace = 4.699960906583672 (6.78765e-06% change) linmin: converged after 2 iterations. - iteration 18: trace = 4.699960737235767 (3.60318e-06% change) - linmin: converged after 2 iterations. - iteration 19: trace = 4.699960644725966 (1.96831e-06% change) + iteration 18: trace = 4.699960737235763 (3.60318e-06% change) + linmin: converged after 5 iterations. + iteration 19: trace = 4.699960644725965 (1.96831e-06% change) linmin: converged after 2 iterations. - iteration 20: trace = 4.699960592889884 (1.1029e-06% change) + iteration 20: trace = 4.69996059288988 (1.1029e-06% change) + linmin: converged after 6 iterations. + iteration 21: trace = 4.699960564066774 (6.13263e-07% change) + linmin: converged after 16 iterations. + iteration 22: trace = 4.699960551853533 (2.59858e-07% change) + linmin: converged after 10 iterations. + iteration 23: trace = 4.699960547235491 (9.82571e-08% change) linmin: converged after 2 iterations. - iteration 21: trace = 4.699960564066775 (6.13263e-07% change) - linmin: converged after 3 iterations. - iteration 22: trace = 4.699960551853536 (2.59858e-07% change) + iteration 24: trace = 4.699960545971041 (2.69034e-08% change) linmin: converged after 3 iterations. - iteration 23: trace = 4.699960547235489 (9.82571e-08% change) - linmin: converged after 2 iterations. - iteration 24: trace = 4.699960545971042 (2.69034e-08% change) - linmin: converged after 2 iterations. - iteration 25: trace = 4.699960545396197 (1.22308e-08% change) + iteration 25: trace = 4.699960545396203 (1.22307e-08% change) linmin: converged after 6 iterations. - iteration 26: trace = 4.699960545062297 (7.10432e-09% change) - linmin: converged after 17 iterations. - iteration 27: trace = 4.699960544894045 (3.57986e-09% change) - linmin: converged after 4 iterations. - iteration 28: trace = 4.699960544831157 (1.33806e-09% change) - linmin: converged after 5 iterations. - iteration 29: trace = 4.699960544805093 (5.54549e-10% change) + iteration 26: trace = 4.699960545062297 (7.10443e-09% change) linmin: converged after 3 iterations. - iteration 30: trace = 4.699960544792843 (2.60654e-10% change) + iteration 27: trace = 4.699960544894044 (3.5799e-09% change) linmin: converged after 4 iterations. - iteration 31: trace = 4.699960544786452 (1.35968e-10% change) + iteration 28: trace = 4.699960544831159 (1.33799e-09% change) + linmin: converged after 11 iterations. + iteration 29: trace = 4.6999605448051 (5.54455e-10% change) linmin: converged after 3 iterations. - iteration 32: trace = 4.699960544782281 (8.8743e-11% change) + iteration 30: trace = 4.699960544792849 (2.60654e-10% change) + linmin: converged after 2 iterations. + iteration 31: trace = 4.69996054478645 (1.36157e-10% change) + linmin: converged after 4 iterations. + iteration 32: trace = 4.699960544782284 (8.86296e-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: 0.5547711849212646 +elapsed time for k point: 0.8619909286499023 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. - iteration 1: trace = 4.726091835507038 (0.165622% change) + iteration 1: trace = 4.726091835507106 (0.165622% change) linmin: converged after 4 iterations. - iteration 2: trace = 4.722802797494285 (0.0696174% change) + iteration 2: trace = 4.722802797494394 (0.0696174% change) linmin: converged after 4 iterations. - iteration 3: trace = 4.721109191088566 (0.0358666% change) + iteration 3: trace = 4.721109191088676 (0.0358666% change) linmin: converged after 4 iterations. - iteration 4: trace = 4.720325201511085 (0.0166074% change) + iteration 4: trace = 4.72032520151121 (0.0166074% change) linmin: converged after 4 iterations. - iteration 5: trace = 4.720028727993002 (0.00628098% change) + iteration 5: trace = 4.72002872799315 (0.00628098% change) linmin: converged after 4 iterations. - iteration 6: trace = 4.719918630348108 (0.00233259% change) + iteration 6: trace = 4.719918630348262 (0.00233259% change) linmin: converged after 4 iterations. - iteration 7: trace = 4.719865321786559 (0.00112944% change) + iteration 7: trace = 4.719865321786709 (0.00112944% change) linmin: converged after 4 iterations. - iteration 8: trace = 4.719831657791466 (0.000713243% change) + iteration 8: trace = 4.719831657791618 (0.000713243% change) linmin: converged after 4 iterations. - iteration 9: trace = 4.71980741335668 (0.000513673% change) + iteration 9: trace = 4.719807413356836 (0.000513673% change) + linmin: converged after 5 iterations. + iteration 10: trace = 4.719790508683381 (0.000358165% change) linmin: converged after 4 iterations. - iteration 10: trace = 4.719790508683225 (0.000358165% change) + iteration 11: trace = 4.719779814606182 (0.00022658% change) linmin: converged after 4 iterations. - iteration 11: trace = 4.719779814606032 (0.00022658% change) - linmin: converged after 5 iterations. - iteration 12: trace = 4.719770348474322 (0.000200563% change) + iteration 12: trace = 4.719770348474473 (0.000200563% change) linmin: converged after 5 iterations. - iteration 13: trace = 4.719756280309134 (0.000298069% change) + iteration 13: trace = 4.719756280309288 (0.000298069% change) large trace change predicted (0.000793235%) - linmin: converged after 5 iterations. - iteration 14: trace = 4.719718876296014 (0.000792502% change) - large trace change predicted (0.00173209%) linmin: converged after 4 iterations. - iteration 15: trace = 4.719637476239666 (0.0017247% change) - linmin: converged after 10 iterations. - iteration 16: trace = 4.719538716018454 (0.00209256% change) + iteration 14: trace = 4.719718876296148 (0.000792502% change) + large trace change predicted (0.00173209%) + linmin: converged after 5 iterations. + iteration 15: trace = 4.719637476239784 (0.0017247% change) linmin: converged after 7 iterations. - iteration 17: trace = 4.719446199525518 (0.00196031% change) + iteration 16: trace = 4.719538716018542 (0.00209256% change) linmin: converged after 5 iterations. - iteration 18: trace = 4.719342067174776 (0.00220648% change) + iteration 17: trace = 4.719446199526267 (0.00196031% change) linmin: converged after 4 iterations. - iteration 19: trace = 4.719250145666389 (0.00194778% change) + iteration 18: trace = 4.719342067175936 (0.00220648% change) + linmin: converged after 5 iterations. + iteration 19: trace = 4.719250145666872 (0.00194778% change) linmin: converged after 4 iterations. - iteration 20: trace = 4.719204779903466 (0.000961296% change) + iteration 20: trace = 4.719204779904011 (0.000961296% change) linmin: converged after 3 iterations. - iteration 21: trace = 4.719181996965342 (0.000482772% change) + iteration 21: trace = 4.719181996965549 (0.000482772% change) linmin: converged after 3 iterations. - iteration 22: trace = 4.719173491797492 (0.000180226% change) + iteration 22: trace = 4.719173491797681 (0.000180226% change) linmin: converged after 3 iterations. - iteration 23: trace = 4.719169509310038 (8.43895e-05% change) - linmin: converged after 4 iterations. - iteration 24: trace = 4.719167458937708 (4.34477e-05% change) - linmin: converged after 4 iterations. - iteration 25: trace = 4.719165917312441 (3.26673e-05% change) + iteration 23: trace = 4.719169509310166 (8.43895e-05% change) linmin: converged after 4 iterations. - iteration 26: trace = 4.719165107645221 (1.7157e-05% change) + iteration 24: trace = 4.719167458937846 (4.34477e-05% change) linmin: converged after 5 iterations. - iteration 27: trace = 4.719164862214758 (5.20072e-06% change) - linmin: converged after 24 iterations. - iteration 28: trace = 4.719164785195745 (1.63205e-06% change) - linmin: converged after 6 iterations. - iteration 29: trace = 4.719164760925828 (5.14284e-07% change) - linmin: converged after 2 iterations. - iteration 30: trace = 4.719164750431597 (2.22375e-07% change) + iteration 25: trace = 4.719165917312573 (3.26673e-05% change) linmin: converged after 4 iterations. - iteration 31: trace = 4.719164743983883 (1.36628e-07% change) + iteration 26: trace = 4.719165107645351 (1.7157e-05% change) linmin: converged after 2 iterations. - iteration 32: trace = 4.719164738003482 (1.26726e-07% change) + iteration 27: trace = 4.719164862214882 (5.20072e-06% change) linmin: converged after 2 iterations. - iteration 33: trace = 4.719164732535467 (1.15868e-07% change) - linmin: converged after 3 iterations. - iteration 34: trace = 4.719164729193493 (7.08171e-08% change) + iteration 28: trace = 4.719164785195874 (1.63205e-06% change) linmin: converged after 2 iterations. - iteration 35: trace = 4.719164727749883 (3.05904e-08% change) + iteration 29: trace = 4.71916476092593 (5.14285e-07% change) linmin: converged after 2 iterations. - iteration 36: trace = 4.719164727251705 (1.05565e-08% change) + iteration 30: trace = 4.719164750431715 (2.22374e-07% change) + linmin: converged after 4 iterations. + iteration 31: trace = 4.719164743984006 (1.36628e-07% change) + linmin: converged after 3 iterations. + iteration 32: trace = 4.71916473800363 (1.26725e-07% change) linmin: converged after 2 iterations. - iteration 37: trace = 4.719164726985723 (5.63621e-09% change) + iteration 33: trace = 4.719164732535607 (1.15868e-07% change) + linmin: converged after 3 iterations. + iteration 34: trace = 4.719164729193626 (7.08172e-08% change) + linmin: converged after 18 iterations. + iteration 35: trace = 4.719164727750008 (3.05905e-08% change) + linmin: converged after 3 iterations. + iteration 36: trace = 4.719164727251828 (1.05565e-08% change) linmin: converged after 2 iterations. - iteration 38: trace = 4.719164726837792 (3.1347e-09% change) - linmin: converged after 12 iterations. - iteration 39: trace = 4.719164726708735 (2.73474e-09% change) - linmin: converged after 7 iterations. - iteration 40: trace = 4.719164726550141 (3.36064e-09% change) - linmin: converged after 5 iterations. - iteration 41: trace = 4.719164726298249 (5.33764e-09% change) - linmin: converged after 6 iterations. - iteration 42: trace = 4.71916472585322 (9.43025e-09% change) - linmin: converged after 4 iterations. - iteration 43: trace = 4.719164725066964 (1.66609e-08% change) + iteration 37: trace = 4.71916472698585 (5.63611e-09% change) + linmin: converged after 2 iterations. + iteration 38: trace = 4.719164726837913 (3.13483e-09% change) linmin: converged after 4 iterations. - iteration 44: trace = 4.719164723722669 (2.84859e-08% change) - linmin: converged after 23 iterations. - iteration 45: trace = 4.719164722420009 (2.76036e-08% change) - linmin: converged after 9 iterations. - iteration 46: trace = 4.719164721562645 (1.81677e-08% change) - linmin: converged after 29 iterations. - iteration 47: trace = 4.719164720988552 (1.21652e-08% change) + iteration 39: trace = 4.719164726708856 (2.73474e-09% change) + linmin: converged after 3 iterations. + iteration 40: trace = 4.71916472655026 (3.36068e-09% change) + linmin: converged after 3 iterations. + iteration 41: trace = 4.719164726298359 (5.33782e-09% change) linmin: converged after 5 iterations. - iteration 48: trace = 4.71916472062323 (7.74124e-09% change) - linmin: converged after 18 iterations. - iteration 49: trace = 4.719164720382047 (5.11072e-09% change) - linmin: converged after 2 iterations. - iteration 50: trace = 4.719164720281921 (2.12167e-09% change) + iteration 42: trace = 4.7191647258533 (9.43089e-09% change) + linmin: converged after 15 iterations. + iteration 43: trace = 4.719164725066989 (1.66621e-08% change) linmin: converged after 4 iterations. - iteration 51: trace = 4.719164720241513 (8.56265e-10% change) + iteration 44: trace = 4.719164723722607 (2.84877e-08% change) + linmin: converged after 19 iterations. + iteration 45: trace = 4.719164722419896 (2.76047e-08% change) linmin: converged after 6 iterations. + iteration 46: trace = 4.719164721562548 (1.81674e-08% change) + linmin: converged after 16 iterations. + iteration 47: trace = 4.719164720988488 (1.21644e-08% change) + linmin: converged after 2 iterations. + iteration 48: trace = 4.719164720623203 (7.74045e-09% change) + linmin: converged after 19 iterations. + iteration 49: trace = 4.719164720382039 (5.11032e-09% change) + linmin: converged after 15 iterations. + iteration 50: trace = 4.719164720281916 (2.12162e-09% change) + linmin: converged after 14 iterations. + iteration 51: trace = 4.719164720241514 (8.56133e-10% change) + linmin: converged after 2 iterations. iteration 52: trace = 4.719164720225399 (3.41463e-10% change) linmin: converged after 3 iterations. - iteration 53: trace = 4.719164720218769 (1.40477e-10% change) + iteration 53: trace = 4.719164720218772 (1.4044e-10% change) linmin: converged after 3 iterations. - iteration 54: trace = 4.71916472021603 (5.80429e-11% change) + iteration 54: trace = 4.719164720216029 (5.81182e-11% change) Finished solving for bands 1 to 8 after 54 iterations. tefreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.299305, 0.526635, 0.526971, 0.757838, 0.758439, 0.962922, 0.983456, 1.01518 -elapsed time for k point: 1.3722400665283203 +elapsed time for k point: 1.480942726135254 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. - iteration 1: trace = 4.692944379891523 (0.970793% change) + iteration 1: trace = 4.692944380121553 (0.970793% change) linmin: converged after 5 iterations. - iteration 2: trace = 4.672476472561108 (0.437095% change) + iteration 2: trace = 4.672476472685538 (0.437095% change) linmin: converged after 5 iterations. - iteration 3: trace = 4.661345041477657 (0.238518% change) + iteration 3: trace = 4.661345041534262 (0.238518% change) linmin: converged after 5 iterations. - iteration 4: trace = 4.656898551843586 (0.0954362% change) + iteration 4: trace = 4.656898551867178 (0.0954362% change) linmin: converged after 4 iterations. - iteration 5: trace = 4.655008764237149 (0.0405886% change) + iteration 5: trace = 4.655008764246738 (0.0405886% change) linmin: converged after 4 iterations. - iteration 6: trace = 4.654399336080442 (0.0130927% change) + iteration 6: trace = 4.654399336084339 (0.0130927% change) linmin: converged after 4 iterations. - iteration 7: trace = 4.654116590781353 (0.00607498% change) + iteration 7: trace = 4.654116590782666 (0.00607498% change) linmin: converged after 4 iterations. - iteration 8: trace = 4.654018455428288 (0.00210859% change) + iteration 8: trace = 4.654018455428814 (0.00210859% change) linmin: converged after 4 iterations. - iteration 9: trace = 4.653979714231328 (0.000832428% change) + iteration 9: trace = 4.653979714231529 (0.000832428% change) linmin: converged after 4 iterations. - iteration 10: trace = 4.653965914128123 (0.000296523% change) + iteration 10: trace = 4.653965914128197 (0.000296523% change) linmin: converged after 4 iterations. - iteration 11: trace = 4.653960270293195 (0.000121269% change) + iteration 11: trace = 4.653960270293227 (0.000121269% change) linmin: converged after 4 iterations. - iteration 12: trace = 4.653958279342811 (4.27797e-05% change) + iteration 12: trace = 4.653958279342827 (4.27797e-05% change) linmin: converged after 5 iterations. - iteration 13: trace = 4.653957534859742 (1.59968e-05% change) - linmin: converged after 2 iterations. - iteration 14: trace = 4.653957210162043 (6.97681e-06% change) - linmin: converged after 2 iterations. - iteration 15: trace = 4.653957025852098 (3.96028e-06% change) + iteration 13: trace = 4.65395753485975 (1.59968e-05% change) + linmin: converged after 18 iterations. + iteration 14: trace = 4.653957210162049 (6.97681e-06% change) linmin: converged after 2 iterations. - iteration 16: trace = 4.653956928560724 (2.09051e-06% change) + iteration 15: trace = 4.653957025852145 (3.96028e-06% change) + linmin: converged after 5 iterations. + iteration 16: trace = 4.653956928560638 (2.09051e-06% change) linmin: converged after 2 iterations. - iteration 17: trace = 4.653956875769934 (1.13432e-06% change) - linmin: converged after 4 iterations. - iteration 18: trace = 4.653956841201479 (7.42776e-07% change) - linmin: converged after 4 iterations. - iteration 19: trace = 4.653956819085471 (4.75209e-07% change) - linmin: converged after 4 iterations. - iteration 20: trace = 4.65395680993506 (1.96616e-07% change) + iteration 17: trace = 4.653956875769971 (1.13432e-06% change) + linmin: converged after 32 iterations. + iteration 18: trace = 4.653956841201482 (7.42776e-07% change) + linmin: converged after 5 iterations. + iteration 19: trace = 4.653956819085463 (4.75209e-07% change) + linmin: converged after 3 iterations. + iteration 20: trace = 4.65395680993505 (1.96616e-07% change) linmin: converged after 2 iterations. - iteration 21: trace = 4.653956806517484 (7.34338e-08% change) + iteration 21: trace = 4.653956806517475 (7.34337e-08% change) + linmin: converged after 3 iterations. + iteration 22: trace = 4.653956805199018 (2.83298e-08% change) linmin: converged after 2 iterations. - iteration 22: trace = 4.653956805199019 (2.833e-08% change) - linmin: converged after 12 iterations. - iteration 23: trace = 4.653956804663054 (1.15163e-08% change) - linmin: converged after 4 iterations. - iteration 24: trace = 4.65395680436798 (6.34029e-09% change) + iteration 23: trace = 4.653956804663047 (1.15164e-08% change) linmin: converged after 15 iterations. - iteration 25: trace = 4.653956804189203 (3.8414e-09% change) + iteration 24: trace = 4.653956804367977 (6.34021e-09% change) + linmin: converged after 3 iterations. + iteration 25: trace = 4.6539568041892 (3.8414e-09% change) linmin: converged after 3 iterations. - iteration 26: trace = 4.653956804095573 (2.01184e-09% change) + iteration 26: trace = 4.653956804095571 (2.0118e-09% change) + linmin: converged after 6 iterations. + iteration 27: trace = 4.653956804061927 (7.22916e-10% change) linmin: converged after 4 iterations. - iteration 27: trace = 4.653956804061928 (7.22935e-10% change) + iteration 28: trace = 4.653956804052049 (2.12256e-10% change) linmin: converged after 4 iterations. - iteration 28: trace = 4.653956804052052 (2.12218e-10% change) - linmin: converged after 16 iterations. - iteration 29: trace = 4.653956804049414 (5.66806e-11% change) + iteration 29: trace = 4.653956804049409 (5.67188e-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: 0.44144320487976074 +elapsed time for k point: 0.7797200679779053 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 4.588920978579226 (0.874534% change) + iteration 1: trace = 4.588920978573792 (0.874534% change) linmin: converged after 4 iterations. - iteration 2: trace = 4.575249860620828 (0.29836% change) + iteration 2: trace = 4.57524986061685 (0.29836% change) linmin: converged after 4 iterations. - iteration 3: trace = 4.569227615780713 (0.131713% change) + iteration 3: trace = 4.569227615778968 (0.131713% change) linmin: converged after 4 iterations. - iteration 4: trace = 4.567129923727054 (0.0459197% change) + iteration 4: trace = 4.567129923726264 (0.0459197% change) linmin: converged after 4 iterations. - iteration 5: trace = 4.566231478753193 (0.0196739% change) + iteration 5: trace = 4.566231478753043 (0.0196739% change) linmin: converged after 4 iterations. - iteration 6: trace = 4.565933792276808 (0.00651952% change) + iteration 6: trace = 4.565933792276756 (0.00651952% change) linmin: converged after 4 iterations. - iteration 7: trace = 4.5658031334063 (0.00286164% change) + iteration 7: trace = 4.565803133406289 (0.00286164% change) linmin: converged after 4 iterations. - iteration 8: trace = 4.565757220078056 (0.0010056% change) + iteration 8: trace = 4.565757220078057 (0.0010056% change) linmin: converged after 4 iterations. - iteration 9: trace = 4.565743625954828 (0.000297741% change) + iteration 9: trace = 4.565743625954827 (0.000297741% change) linmin: converged after 4 iterations. - iteration 10: trace = 4.565739612896301 (8.7895e-05% change) - linmin: converged after 4 iterations. - iteration 11: trace = 4.565738200055287 (3.09444e-05% change) + iteration 10: trace = 4.565739612896303 (8.7895e-05% change) linmin: converged after 5 iterations. - iteration 12: trace = 4.565737746810891 (9.92708e-06% change) - linmin: converged after 4 iterations. - iteration 13: trace = 4.565737597483526 (3.27061e-06% change) + iteration 11: trace = 4.565738200055284 (3.09444e-05% change) linmin: converged after 4 iterations. - iteration 14: trace = 4.565737552537143 (9.84428e-07% change) - linmin: converged after 4 iterations. - iteration 15: trace = 4.565737539290493 (2.90132e-07% change) - linmin: converged after 4 iterations. - iteration 16: trace = 4.565737535646703 (7.98072e-08% change) + iteration 12: trace = 4.565737746810886 (9.92708e-06% change) + linmin: converged after 2 iterations. + iteration 13: trace = 4.565737597483533 (3.27061e-06% change) + linmin: converged after 14 iterations. + iteration 14: trace = 4.565737552537147 (9.84428e-07% change) linmin: converged after 3 iterations. - iteration 17: trace = 4.565737534603482 (2.28489e-08% change) + iteration 15: trace = 4.565737539290476 (2.90132e-07% change) + linmin: converged after 4 iterations. + iteration 16: trace = 4.565737535646699 (7.9807e-08% change) + linmin: converged after 20 iterations. + iteration 17: trace = 4.565737534603478 (2.28489e-08% change) linmin: converged after 2 iterations. - iteration 18: trace = 4.565737534315073 (6.31682e-09% change) - linmin: converged after 9 iterations. - iteration 19: trace = 4.565737534206801 (2.37139e-09% change) - linmin: converged after 9 iterations. - iteration 20: trace = 4.56573753414394 (1.37679e-09% change) + iteration 18: trace = 4.565737534315073 (6.31672e-09% change) + linmin: converged after 3 iterations. + iteration 19: trace = 4.565737534206799 (2.37145e-09% change) + linmin: converged after 10 iterations. + iteration 20: trace = 4.565737534143935 (1.37687e-09% change) linmin: converged after 4 iterations. - iteration 21: trace = 4.565737534100022 (9.61898e-10% change) + iteration 21: trace = 4.565737534100022 (9.61782e-10% change) linmin: converged after 4 iterations. - iteration 22: trace = 4.565737534070951 (6.3674e-10% change) - linmin: converged after 6 iterations. - iteration 23: trace = 4.565737534052835 (3.96766e-10% change) - linmin: converged after 3 iterations. - iteration 24: trace = 4.565737534041939 (2.38651e-10% change) + iteration 22: trace = 4.565737534070944 (6.36876e-10% change) + linmin: converged after 9 iterations. + iteration 23: trace = 4.565737534052837 (3.96591e-10% change) linmin: converged after 3 iterations. - iteration 25: trace = 4.56573753403582 (1.34013e-10% change) + iteration 24: trace = 4.565737534041937 (2.38729e-10% change) + linmin: converged after 4 iterations. + iteration 25: trace = 4.565737534035818 (1.34032e-10% change) linmin: converged after 2 iterations. - iteration 26: trace = 4.565737534032807 (6.60044e-11% change) + iteration 26: trace = 4.565737534032805 (6.5985e-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: 0.25237321853637695 +elapsed time for k point: 0.7082273960113525 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. - iteration 1: trace = 4.508620212892166 (0.753199% change) + iteration 1: trace = 4.508620212892414 (0.753199% change) linmin: converged after 4 iterations. - iteration 2: trace = 4.499716957737281 (0.197667% change) + iteration 2: trace = 4.499716957737204 (0.197667% change) linmin: converged after 3 iterations. - iteration 3: trace = 4.49666086179896 (0.0679406% change) + iteration 3: trace = 4.49666086179891 (0.0679406% change) linmin: converged after 4 iterations. - iteration 4: trace = 4.49574651623554 (0.0203359% change) + iteration 4: trace = 4.495746516235467 (0.0203359% change) linmin: converged after 4 iterations. - iteration 5: trace = 4.495430397031109 (0.00703176% change) + iteration 5: trace = 4.495430397031072 (0.00703176% change) linmin: converged after 4 iterations. - iteration 6: trace = 4.495345271640709 (0.00189362% change) + iteration 6: trace = 4.495345271640691 (0.00189362% change) linmin: converged after 4 iterations. - iteration 7: trace = 4.495315544672334 (0.000661286% change) - linmin: converged after 4 iterations. - iteration 8: trace = 4.495303649148999 (0.000264621% change) - linmin: converged after 3 iterations. - iteration 9: trace = 4.495300564167787 (6.86268e-05% change) + iteration 7: trace = 4.495315544672331 (0.000661286% change) + linmin: converged after 5 iterations. + iteration 8: trace = 4.49530364914899 (0.000264621% change) + linmin: converged after 5 iterations. + iteration 9: trace = 4.495300564167793 (6.86268e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 4.495299803160996 (1.69289e-05% change) linmin: converged after 2 iterations. - iteration 11: trace = 4.495299629871562 (3.8549e-06% change) - linmin: converged after 4 iterations. - iteration 12: trace = 4.495299593694355 (8.04779e-07% change) - linmin: converged after 12 iterations. - iteration 13: trace = 4.495299585129779 (1.90523e-07% change) - linmin: converged after 2 iterations. - iteration 14: trace = 4.495299582963901 (4.8181e-08% change) - linmin: converged after 4 iterations. - iteration 15: trace = 4.49529958214405 (1.8238e-08% change) + iteration 11: trace = 4.495299629871558 (3.8549e-06% change) linmin: converged after 13 iterations. - iteration 16: trace = 4.495299581549299 (1.32305e-08% change) + iteration 12: trace = 4.495299593694353 (8.04778e-07% change) + linmin: converged after 7 iterations. + iteration 13: trace = 4.495299585129779 (1.90523e-07% change) linmin: converged after 4 iterations. - iteration 17: trace = 4.495299580823787 (1.61393e-08% change) + iteration 14: trace = 4.495299582963899 (4.8181e-08% change) + linmin: converged after 3 iterations. + iteration 15: trace = 4.495299582144044 (1.8238e-08% change) linmin: converged after 4 iterations. - iteration 18: trace = 4.495299579922 (2.00607e-08% change) + iteration 16: trace = 4.495299581549301 (1.32303e-08% change) + linmin: converged after 5 iterations. + iteration 17: trace = 4.495299580823794 (1.61393e-08% change) linmin: converged after 3 iterations. - iteration 19: trace = 4.495299579325446 (1.32706e-08% change) + iteration 18: trace = 4.495299579922002 (2.00608e-08% change) linmin: converged after 4 iterations. - iteration 20: trace = 4.495299579065505 (5.7825e-09% change) + iteration 19: trace = 4.495299579325446 (1.32707e-08% change) linmin: converged after 4 iterations. - iteration 21: trace = 4.495299578960951 (2.32584e-09% change) - linmin: converged after 12 iterations. - iteration 22: trace = 4.495299578913846 (1.04788e-09% change) - linmin: converged after 6 iterations. - iteration 23: trace = 4.495299578893935 (4.42933e-10% change) + iteration 20: trace = 4.4952995790655 (5.78263e-09% change) linmin: converged after 3 iterations. - iteration 24: trace = 4.495299578886664 (1.61738e-10% change) - linmin: converged after 4 iterations. - iteration 25: trace = 4.495299578884341 (5.16868e-11% change) + iteration 21: trace = 4.495299578960947 (2.32583e-09% change) + linmin: converged after 2 iterations. + iteration 22: trace = 4.49529957891384 (1.04792e-09% change) + linmin: converged after 3 iterations. + iteration 23: trace = 4.495299578893932 (4.42854e-10% change) + linmin: converged after 7 iterations. + iteration 24: trace = 4.495299578886664 (1.61679e-10% change) + linmin: converged after 14 iterations. + iteration 25: trace = 4.495299578884342 (5.1667e-11% change) 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: 0.8026299476623535 +elapsed time for k point: 1.0401930809020996 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. - iteration 1: trace = 4.473866004790167 (0.70844% change) + iteration 1: trace = 4.473866004791003 (0.70844% change) linmin: converged after 4 iterations. - iteration 2: trace = 4.466337931879858 (0.168409% change) + iteration 2: trace = 4.466337931880181 (0.168409% change) linmin: converged after 4 iterations. - iteration 3: trace = 4.464014970093421 (0.052024% change) + iteration 3: trace = 4.464014970093519 (0.052024% change) linmin: converged after 3 iterations. - iteration 4: trace = 4.463224313439671 (0.0177134% change) + iteration 4: trace = 4.463224313439734 (0.0177134% change) linmin: converged after 3 iterations. - iteration 5: trace = 4.462870601137229 (0.00792535% change) + iteration 5: trace = 4.462870601137276 (0.00792535% change) linmin: converged after 3 iterations. - iteration 6: trace = 4.462724153332439 (0.00328152% change) + iteration 6: trace = 4.462724153332465 (0.00328152% change) linmin: converged after 3 iterations. - iteration 7: trace = 4.462635338597384 (0.00199017% change) + iteration 7: trace = 4.462635338597407 (0.00199017% change) linmin: converged after 4 iterations. - iteration 8: trace = 4.462589776727746 (0.00102097% change) - linmin: converged after 5 iterations. - iteration 9: trace = 4.46257610200297 (0.000306431% change) - linmin: converged after 5 iterations. - iteration 10: trace = 4.462571864667398 (9.49527e-05% change) + iteration 8: trace = 4.46258977672776 (0.00102097% change) + linmin: converged after 4 iterations. + iteration 9: trace = 4.462576102002984 (0.000306431% change) linmin: converged after 5 iterations. - iteration 11: trace = 4.462570546979986 (2.95275e-05% change) + iteration 10: trace = 4.462571864667401 (9.49527e-05% change) + linmin: converged after 6 iterations. + iteration 11: trace = 4.462570546979999 (2.95275e-05% change) linmin: converged after 3 iterations. - iteration 12: trace = 4.462570139814225 (9.12402e-06% change) + iteration 12: trace = 4.462570139814236 (9.12402e-06% change) linmin: converged after 2 iterations. - iteration 13: trace = 4.46257001088653 (2.88909e-06% change) - linmin: converged after 9 iterations. - iteration 14: trace = 4.462569981202175 (6.65185e-07% change) + iteration 13: trace = 4.462570010886536 (2.88909e-06% change) + linmin: converged after 3 iterations. + iteration 14: trace = 4.462569981202181 (6.65185e-07% change) linmin: converged after 4 iterations. - iteration 15: trace = 4.46256997059049 (2.37793e-07% change) + iteration 15: trace = 4.462569970590494 (2.37793e-07% change) linmin: converged after 4 iterations. - iteration 16: trace = 4.462569966989745 (8.06877e-08% change) - linmin: converged after 30 iterations. - iteration 17: trace = 4.462569964422014 (5.75393e-08% change) - linmin: converged after 7 iterations. - iteration 18: trace = 4.462569961021072 (7.62104e-08% change) + iteration 16: trace = 4.462569966989752 (8.06876e-08% change) + linmin: converged after 3 iterations. + iteration 17: trace = 4.462569964422022 (5.75393e-08% change) + linmin: converged after 2 iterations. + iteration 18: trace = 4.462569961021073 (7.62105e-08% change) large trace change predicted (1.59484e-07%) - linmin: converged after 4 iterations. - iteration 19: trace = 4.462569953904013 (1.59483e-07% change) + linmin: converged after 6 iterations. + iteration 19: trace = 4.462569953904014 (1.59483e-07% change) linmin: converged after 9 iterations. - iteration 20: trace = 4.462569943683237 (2.29033e-07% change) - linmin: converged after 2 iterations. - iteration 21: trace = 4.46256993460952 (2.03329e-07% change) - linmin: converged after 2 iterations. - iteration 22: trace = 4.462569927927915 (1.49725e-07% change) + iteration 20: trace = 4.46256994368323 (2.29034e-07% change) + linmin: converged after 3 iterations. + iteration 21: trace = 4.462569934609512 (2.03329e-07% change) linmin: converged after 4 iterations. - iteration 23: trace = 4.462569924053907 (8.68111e-08% change) + iteration 22: trace = 4.462569927927922 (1.49725e-07% change) linmin: converged after 4 iterations. - iteration 24: trace = 4.462569921863489 (4.90842e-08% change) + iteration 23: trace = 4.462569924053909 (8.68113e-08% change) linmin: converged after 4 iterations. - iteration 25: trace = 4.462569921105944 (1.69755e-08% change) - linmin: converged after 17 iterations. - iteration 26: trace = 4.462569920846197 (5.82057e-09% change) - linmin: converged after 9 iterations. - iteration 27: trace = 4.462569920755987 (2.02147e-09% change) - linmin: converged after 10 iterations. - iteration 28: trace = 4.462569920708033 (1.07459e-09% change) - linmin: converged after 9 iterations. - iteration 29: trace = 4.462569920679466 (6.40135e-10% change) - linmin: converged after 5 iterations. - iteration 30: trace = 4.462569920665278 (3.17948e-10% change) + iteration 24: trace = 4.462569921863484 (4.90844e-08% change) linmin: converged after 6 iterations. - iteration 31: trace = 4.462569920661402 (8.6856e-11% change) + iteration 25: trace = 4.462569921105946 (1.69754e-08% change) + linmin: converged after 5 iterations. + iteration 26: trace = 4.462569920846201 (5.82051e-09% change) + linmin: converged after 8 iterations. + iteration 27: trace = 4.462569920755987 (2.02157e-09% change) + linmin: converged after 12 iterations. + iteration 28: trace = 4.462569920708031 (1.07463e-09% change) + linmin: converged after 4 iterations. + iteration 29: trace = 4.462569920679469 (6.40036e-10% change) + linmin: converged after 3 iterations. + iteration 30: trace = 4.462569920665278 (3.17988e-10% change) + linmin: converged after 17 iterations. + iteration 31: trace = 4.4625699206614 (8.69157e-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: 0.5997085571289062 +elapsed time for k point: 2.607548952102661 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. - iteration 1: trace = 4.478658555603234 (0.729587% change) + iteration 1: trace = 4.47865855560369 (0.729587% change) linmin: converged after 5 iterations. - iteration 2: trace = 4.469039616061645 (0.215004% change) + iteration 2: trace = 4.469039616061894 (0.215004% change) linmin: converged after 4 iterations. - iteration 3: trace = 4.465022814409098 (0.0899211% change) + iteration 3: trace = 4.465022814409071 (0.0899211% change) linmin: converged after 4 iterations. - iteration 4: trace = 4.46209968314416 (0.0654888% change) + iteration 4: trace = 4.462099683144033 (0.0654888% change) linmin: converged after 5 iterations. - iteration 5: trace = 4.46004739838343 (0.0460043% change) + iteration 5: trace = 4.460047398383344 (0.0460043% change) linmin: converged after 4 iterations. - iteration 6: trace = 4.459144908738708 (0.020237% change) + iteration 6: trace = 4.459144908738621 (0.020237% change) linmin: converged after 4 iterations. - iteration 7: trace = 4.458741257123237 (0.00905263% change) + iteration 7: trace = 4.458741257123136 (0.00905263% change) linmin: converged after 4 iterations. - iteration 8: trace = 4.458626601085457 (0.00257152% change) - linmin: converged after 4 iterations. - iteration 9: trace = 4.45859630990237 (0.000679386% change) - linmin: converged after 4 iterations. - iteration 10: trace = 4.458587755438534 (0.000191865% change) + iteration 8: trace = 4.458626601085369 (0.00257152% change) linmin: converged after 5 iterations. - iteration 11: trace = 4.458585207924873 (5.71372e-05% change) - linmin: converged after 2 iterations. - iteration 12: trace = 4.458584490013369 (1.61018e-05% change) - linmin: converged after 20 iterations. - iteration 13: trace = 4.458584277334642 (4.7701e-06% change) + iteration 9: trace = 4.458596309902293 (0.000679386% change) + linmin: converged after 5 iterations. + iteration 10: trace = 4.458587755438463 (0.000191865% change) linmin: converged after 4 iterations. - iteration 14: trace = 4.458584200805816 (1.71644e-06% change) - linmin: converged after 7 iterations. - iteration 15: trace = 4.458584152120324 (1.09195e-06% change) + iteration 11: trace = 4.458585207924791 (5.71372e-05% change) linmin: converged after 2 iterations. - iteration 16: trace = 4.45858413346214 (4.18478e-07% change) - linmin: converged after 2 iterations. - iteration 17: trace = 4.458584124789168 (1.94523e-07% change) + iteration 12: trace = 4.458584490013294 (1.61018e-05% change) + linmin: converged after 3 iterations. + iteration 13: trace = 4.458584277334562 (4.7701e-06% change) linmin: converged after 4 iterations. - iteration 18: trace = 4.45858411809343 (1.50176e-07% change) + iteration 14: trace = 4.458584200805784 (1.71644e-06% change) + linmin: converged after 3 iterations. + iteration 15: trace = 4.458584152120213 (1.09195e-06% change) + linmin: converged after 2 iterations. + iteration 16: trace = 4.458584133462059 (4.18477e-07% change) linmin: converged after 2 iterations. - iteration 19: trace = 4.458584108089051 (2.24385e-07% change) + iteration 17: trace = 4.458584124789079 (1.94523e-07% change) + linmin: converged after 3 iterations. + iteration 18: trace = 4.458584118093341 (1.50176e-07% change) linmin: converged after 2 iterations. - iteration 20: trace = 4.458584093759836 (3.21385e-07% change) + iteration 19: trace = 4.458584108088935 (2.24385e-07% change) linmin: converged after 2 iterations. - iteration 21: trace = 4.458584070134995 (5.29873e-07% change) + iteration 20: trace = 4.458584093759725 (3.21385e-07% change) + linmin: converged after 6 iterations. + iteration 21: trace = 4.45858407013488 (5.29873e-07% change) large trace change predicted (1.49557e-06%) - linmin: converged after 18 iterations. - iteration 22: trace = 4.458584003453497 (1.49558e-06% change) + linmin: converged after 14 iterations. + iteration 22: trace = 4.458584003453388 (1.49558e-06% change) large trace change predicted (5.07375e-06%) linmin: converged after 3 iterations. - iteration 23: trace = 4.458583777244648 (5.07356e-06% change) + iteration 23: trace = 4.458583777244318 (5.07356e-06% change) near maximum in trace - linmin: converged after 14 iterations. - iteration 24: trace = 4.458459758258259 (0.00278162% change) - linmin: converged after 8 iterations. - iteration 25: trace = 4.458458093271729 (3.73444e-05% change) - linmin: converged after 5 iterations. - iteration 26: trace = 4.458456431479314 (3.72728e-05% change) - linmin: converged after 4 iterations. - iteration 27: trace = 4.458454776914217 (3.71107e-05% change) + linmin: converged after 12 iterations. + iteration 24: trace = 4.458459758086347 (0.00278162% change) + linmin: converged after 7 iterations. + iteration 25: trace = 4.45845809310336 (3.73444e-05% change) linmin: converged after 4 iterations. - iteration 28: trace = 4.458453129860116 (3.69423e-05% change) + iteration 26: trace = 4.458456431314518 (3.72727e-05% change) linmin: converged after 7 iterations. - iteration 29: trace = 4.458451488445268 (3.68158e-05% change) + iteration 27: trace = 4.458454776753626 (3.71106e-05% change) linmin: converged after 4 iterations. - iteration 30: trace = 4.458449849656692 (3.67569e-05% change) + iteration 28: trace = 4.45845312970436 (3.69422e-05% change) linmin: converged after 5 iterations. - iteration 31: trace = 4.458448209945043 (3.67776e-05% change) - linmin: converged after 7 iterations. - iteration 32: trace = 4.458446565570727 (3.68822e-05% change) - linmin: converged after 6 iterations. - iteration 33: trace = 4.458444912795196 (3.70707e-05% change) - linmin: converged after 6 iterations. - iteration 34: trace = 4.458443247983713 (3.73406e-05% change) + iteration 29: trace = 4.458451488295024 (3.68157e-05% change) + linmin: converged after 8 iterations. + iteration 30: trace = 4.458449849512655 (3.67568e-05% change) linmin: converged after 5 iterations. - iteration 35: trace = 4.458441567658865 (3.76886e-05% change) - linmin: converged after 6 iterations. - iteration 36: trace = 4.458439868528528 (3.81104e-05% change) + iteration 31: trace = 4.458448209807987 (3.67775e-05% change) + linmin: converged after 5 iterations. + iteration 32: trace = 4.458446565441435 (3.6882e-05% change) linmin: converged after 6 iterations. - iteration 37: trace = 4.458438147500575 (3.86016e-05% change) - linmin: converged after 13 iterations. - iteration 38: trace = 4.458436401699788 (3.91572e-05% change) - linmin: converged after 8 iterations. - iteration 39: trace = 4.458434628472027 (3.97724e-05% change) - linmin: converged after 9 iterations. - iteration 40: trace = 4.458432825407581 (4.04417e-05% change) - linmin: converged after 4 iterations. - iteration 41: trace = 4.458430990355236 (4.11591e-05% change) - linmin: converged after 4 iterations. - iteration 42: trace = 4.458429121450291 (4.19185e-05% change) + iteration 33: trace = 4.458444912674558 (3.70705e-05% change) + linmin: converged after 5 iterations. + iteration 34: trace = 4.458443247872638 (3.73404e-05% change) linmin: converged after 10 iterations. - iteration 43: trace = 4.458427217142107 (4.27125e-05% change) + iteration 35: trace = 4.458441567558344 (3.76884e-05% change) + linmin: converged after 10 iterations. + iteration 36: trace = 4.458439868437202 (3.81102e-05% change) + linmin: converged after 8 iterations. + iteration 37: trace = 4.458438147422839 (3.86013e-05% change) linmin: converged after 6 iterations. - iteration 44: trace = 4.458425276228057 (4.35336e-05% change) + iteration 38: trace = 4.458436401632463 (3.9157e-05% change) + linmin: converged after 8 iterations. + iteration 39: trace = 4.458434628420673 (3.97721e-05% change) linmin: converged after 6 iterations. - iteration 45: trace = 4.458423297905146 (4.43727e-05% change) + iteration 40: trace = 4.458432825371669 (4.04413e-05% change) linmin: converged after 5 iterations. - iteration 46: trace = 4.458421281761492 (4.5221e-05% change) + iteration 41: trace = 4.458430990336213 (4.11588e-05% change) + linmin: converged after 6 iterations. + iteration 42: trace = 4.458429121450739 (4.1918e-05% change) linmin: converged after 5 iterations. - iteration 47: trace = 4.458419227817391 (4.60689e-05% change) + iteration 43: trace = 4.458427217170018 (4.27119e-05% change) + linmin: converged after 6 iterations. + iteration 44: trace = 4.45842527627803 (4.35331e-05% change) linmin: converged after 5 iterations. - iteration 48: trace = 4.458417136633884 (4.69042e-05% change) - linmin: converged after 7 iterations. - iteration 49: trace = 4.458415009253079 (4.77161e-05% change) - linmin: converged after 12 iterations. - iteration 50: trace = 4.458412847235103 (4.8493e-05% change) + iteration 45: trace = 4.458423297979061 (4.43722e-05% change) linmin: converged after 9 iterations. - iteration 51: trace = 4.45841065266303 (4.92232e-05% change) + iteration 46: trace = 4.45842128183593 (4.5221e-05% change) linmin: converged after 5 iterations. - iteration 52: trace = 4.458408428168314 (4.98944e-05% change) - linmin: converged after 4 iterations. - iteration 53: trace = 4.458406176651217 (5.05005e-05% change) + iteration 47: trace = 4.458419227918975 (4.60683e-05% change) linmin: converged after 5 iterations. - iteration 54: trace = 4.458403901626262 (5.10278e-05% change) - linmin: converged after 11 iterations. - iteration 55: trace = 4.458401606872811 (5.14703e-05% change) + iteration 48: trace = 4.458417136764045 (4.69035e-05% change) linmin: converged after 7 iterations. - iteration 56: trace = 4.458399296427462 (5.18223e-05% change) - linmin: converged after 9 iterations. - iteration 57: trace = 4.45839697445953 (5.20808e-05% change) + iteration 49: trace = 4.458415009413182 (4.77154e-05% change) linmin: converged after 4 iterations. - iteration 58: trace = 4.45839464521191 (5.22441e-05% change) + iteration 50: trace = 4.458412847426382 (4.84923e-05% change) linmin: converged after 7 iterations. - iteration 59: trace = 4.45839231287166 (5.23135e-05% change) - linmin: converged after 5 iterations. - iteration 60: trace = 4.458389981481892 (5.22922e-05% change) - linmin: converged after 6 iterations. - iteration 61: trace = 4.458387654857571 (5.21853e-05% change) + iteration 51: trace = 4.458410652879671 (4.92226e-05% change) linmin: converged after 7 iterations. - iteration 62: trace = 4.458385336515951 (5.19996e-05% change) - linmin: converged after 9 iterations. - iteration 63: trace = 4.458383029624313 (5.17428e-05% change) + iteration 52: trace = 4.45840842834688 (4.98952e-05% change) linmin: converged after 5 iterations. - iteration 64: trace = 4.458380736965614 (5.14236e-05% change) + iteration 53: trace = 4.458406176863647 (5.04997e-05% change) linmin: converged after 5 iterations. - iteration 65: trace = 4.458378460921876 (5.10509e-05% change) - linmin: converged after 10 iterations. - iteration 66: trace = 4.458376203473506 (5.06339e-05% change) + iteration 54: trace = 4.458403901873035 (5.1027e-05% change) + linmin: converged after 18 iterations. + iteration 55: trace = 4.45840160715417 (5.14695e-05% change) + linmin: converged after 5 iterations. + iteration 56: trace = 4.45839929679653 (5.18203e-05% change) + linmin: converged after 5 iterations. + iteration 57: trace = 4.45839697486293 (5.208e-05% change) linmin: converged after 7 iterations. - iteration 67: trace = 4.458373966212359 (5.01811e-05% change) - linmin: converged after 9 iterations. - iteration 68: trace = 4.458371750365546 (4.97008e-05% change) + iteration 58: trace = 4.458394645649191 (5.22433e-05% change) + linmin: converged after 12 iterations. + iteration 59: trace = 4.458392313342166 (5.23127e-05% change) + linmin: converged after 5 iterations. + iteration 60: trace = 4.458389981994917 (5.22912e-05% change) linmin: converged after 6 iterations. - iteration 69: trace = 4.458369556863608 (4.91996e-05% change) + iteration 61: trace = 4.458387655402004 (5.21846e-05% change) + linmin: converged after 5 iterations. + iteration 62: trace = 4.458385337090715 (5.19989e-05% change) + linmin: converged after 5 iterations. + iteration 63: trace = 4.458383030228237 (5.17421e-05% change) + linmin: converged after 5 iterations. + iteration 64: trace = 4.458380737597496 (5.14229e-05% change) + linmin: converged after 5 iterations. + iteration 65: trace = 4.458378461580468 (5.10503e-05% change) + linmin: converged after 9 iterations. + iteration 66: trace = 4.458376204157597 (5.06333e-05% change) + linmin: converged after 5 iterations. + iteration 67: trace = 4.458373966983598 (5.01791e-05% change) + linmin: converged after 5 iterations. + iteration 68: trace = 4.45837175115985 (4.97003e-05% change) + linmin: converged after 13 iterations. + iteration 69: trace = 4.458369557643537 (4.92e-05% change) resetting CG direction... - large trace change predicted (0.0705969%) + large trace change predicted (0.0705974%) linmin: converged after 3 iterations. - iteration 70: trace = 4.455218417331746 (0.0707042% change) + iteration 70: trace = 4.455218396810412 (0.0707047% change) linmin: converged after 3 iterations. - iteration 71: trace = 4.454076296259893 (0.0256389% change) + iteration 71: trace = 4.454076270045077 (0.025639% change) linmin: converged after 3 iterations. - iteration 72: trace = 4.453233406692878 (0.0189258% change) + iteration 72: trace = 4.453233400311123 (0.0189253% change) linmin: converged after 3 iterations. - iteration 73: trace = 4.452750380913497 (0.0108472% change) + iteration 73: trace = 4.452750387012768 (0.0108469% change) linmin: converged after 3 iterations. - iteration 74: trace = 4.452486222085326 (0.00593266% change) + iteration 74: trace = 4.452486228782018 (0.00593265% change) linmin: converged after 3 iterations. - iteration 75: trace = 4.452381354921903 (0.00235528% change) + iteration 75: trace = 4.452381361974496 (0.00235527% change) linmin: converged after 3 iterations. - iteration 76: trace = 4.452332142006135 (0.00110532% change) + iteration 76: trace = 4.452332149411394 (0.00110531% change) linmin: converged after 3 iterations. - iteration 77: trace = 4.452312681237569 (0.000437093% change) + iteration 77: trace = 4.452312688637566 (0.000437093% change) linmin: converged after 3 iterations. - iteration 78: trace = 4.452300708973491 (0.0002689% change) + iteration 78: trace = 4.45230071607409 (0.000268907% change) linmin: converged after 3 iterations. - iteration 79: trace = 4.452288392860877 (0.000276624% change) - linmin: converged after 3 iterations. - iteration 80: trace = 4.45227280294268 (0.000350156% change) - linmin: converged after 4 iterations. - iteration 81: trace = 4.452249230430278 (0.00052945% change) - linmin: converged after 3 iterations. - iteration 82: trace = 4.452204259118691 (0.00101009% change) - linmin: converged after 4 iterations. - iteration 83: trace = 4.452119844876349 (0.00189603% change) + iteration 79: trace = 4.452288399612123 (0.000276632% change) linmin: converged after 4 iterations. - iteration 84: trace = 4.452030543673131 (0.00200583% change) - linmin: converged after 4 iterations. - iteration 85: trace = 4.45197552293584 (0.00123586% change) + iteration 80: trace = 4.452272809489926 (0.00035016% change) linmin: converged after 5 iterations. - iteration 86: trace = 4.451956336682908 (0.000430961% change) + iteration 81: trace = 4.452249236224402 (0.000529467% change) linmin: converged after 3 iterations. - iteration 87: trace = 4.451951182937841 (0.000115764% change) - linmin: converged after 4 iterations. - iteration 88: trace = 4.451949926952084 (2.8212e-05% change) + iteration 82: trace = 4.452204263419688 (0.00101012% change) linmin: converged after 5 iterations. - iteration 89: trace = 4.451949633716959 (6.58667e-06% change) - linmin: converged after 8 iterations. - iteration 90: trace = 4.451949555039724 (1.76725e-06% change) - linmin: converged after 2 iterations. - iteration 91: trace = 4.451949527224587 (6.24786e-07% change) - linmin: converged after 3 iterations. - iteration 92: trace = 4.451949519989509 (1.62515e-07% change) + iteration 83: trace = 4.452119848004346 (0.00189605% change) + linmin: converged after 23 iterations. + iteration 84: trace = 4.452030544098405 (0.00200589% change) + linmin: converged after 4 iterations. + iteration 85: trace = 4.451975523041291 (0.00123587% change) linmin: converged after 3 iterations. - iteration 93: trace = 4.451949518321409 (3.7469e-08% change) + iteration 86: trace = 4.451956336662034 (0.000430964% change) linmin: converged after 3 iterations. - iteration 94: trace = 4.451949517531421 (1.77448e-08% change) + iteration 87: trace = 4.451951182938001 (0.000115763% change) + linmin: converged after 5 iterations. + iteration 88: trace = 4.451949926952263 (2.8212e-05% change) linmin: converged after 2 iterations. - iteration 95: trace = 4.451949517019614 (1.14963e-08% change) - linmin: converged after 3 iterations. - iteration 96: trace = 4.451949516565088 (1.02096e-08% change) - linmin: converged after 3 iterations. - iteration 97: trace = 4.45194951631131 (5.70039e-09% change) + iteration 89: trace = 4.451949633719559 (6.58661e-06% change) + linmin: converged after 2 iterations. + iteration 90: trace = 4.451949555041382 (1.76727e-06% change) + linmin: converged after 2 iterations. + iteration 91: trace = 4.451949527225949 (6.24792e-07% change) linmin: converged after 4 iterations. - iteration 98: trace = 4.451949516185847 (2.81816e-09% change) + iteration 92: trace = 4.451949519990793 (1.62517e-07% change) linmin: converged after 4 iterations. - iteration 99: trace = 4.451949516111416 (1.67188e-09% change) - large trace change predicted (3.42048e-09%) + iteration 93: trace = 4.45194951832263 (3.74704e-08% change) + linmin: converged after 23 iterations. + iteration 94: trace = 4.451949517532587 (1.7746e-08% change) + linmin: converged after 3 iterations. + iteration 95: trace = 4.45194951702074 (1.14972e-08% change) linmin: converged after 4 iterations. - iteration 100: trace = 4.451949515959136 (3.42052e-09% change) - linmin: converged after 6 iterations. - iteration 101: trace = 4.451949515672546 (6.43739e-09% change) + iteration 96: trace = 4.451949516566152 (1.0211e-08% change) linmin: converged after 2 iterations. - iteration 102: trace = 4.451949515253594 (9.41055e-09% change) - linmin: converged after 3 iterations. - iteration 103: trace = 4.451949514776404 (1.07187e-08% change) + iteration 97: trace = 4.451949516312337 (5.70122e-09% change) + linmin: converged after 18 iterations. + iteration 98: trace = 4.45194951618685 (2.8187e-09% change) linmin: converged after 3 iterations. - iteration 104: trace = 4.45194951416843 (1.36564e-08% change) + iteration 99: trace = 4.451949516112386 (1.67262e-09% change) + large trace change predicted (3.4224e-09%) + linmin: converged after 4 iterations. + iteration 100: trace = 4.451949515960023 (3.42238e-09% change) + linmin: converged after 2 iterations. + iteration 101: trace = 4.451949515673266 (6.44116e-09% change) + linmin: converged after 8 iterations. + iteration 102: trace = 4.451949515254093 (9.4155e-09% change) + linmin: converged after 2 iterations. + iteration 103: trace = 4.451949514776699 (1.07233e-08% change) + linmin: converged after 2 iterations. + iteration 104: trace = 4.451949514168536 (1.36606e-08% change) + linmin: converged after 2 iterations. + iteration 105: trace = 4.45194951364144 (1.18397e-08% change) linmin: converged after 3 iterations. - iteration 105: trace = 4.451949513641427 (1.18376e-08% change) + iteration 106: trace = 4.451949513445264 (4.40653e-09% change) linmin: converged after 2 iterations. - iteration 106: trace = 4.451949513445262 (4.40627e-09% change) - linmin: converged after 12 iterations. - iteration 107: trace = 4.451949513374777 (1.58324e-09% change) + iteration 107: trace = 4.451949513374775 (1.58334e-09% change) linmin: converged after 7 iterations. - iteration 108: trace = 4.451949513356691 (4.06248e-10% change) + iteration 108: trace = 4.451949513356686 (4.06308e-10% change) linmin: converged after 3 iterations. - iteration 109: trace = 4.45194951335274 (8.8759e-11% change) + iteration 109: trace = 4.451949513352735 (8.8739e-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: 2.439682960510254 -Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2993049473117477 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> -Band 2 range: 0.4924342823622063 at Vector3<0.0, 0.5, 0.0> to 0.6568362683499379 at Vector3<0.0, 0.0, 0.0> -Band 3 range: 0.5269710506448819 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7156232200212523 at Vector3<0.0, 0.0, 0.0> -Band 4 range: 0.6568031427446029 at Vector3<0.0, 0.5, 0.0> to 0.7578382217502106 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> -Band 5 range: 0.7383774303752576 at Vector3<0.0, 0.0, 0.0> to 0.7988168792802595 at Vector3<0.0, 0.5, 0.0> -Band 6 range: 0.8259787164701542 at Vector3<0.0, 0.0, 0.0> to 0.9629215441012401 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> -Band 7 range: 0.8271634538840895 at Vector3<0.0, 0.0, 0.0> to 0.9834563303529579 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> -Band 8 range: 0.9984200611839876 at Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> to 1.0411551252079054 at Vector3<0.0, 0.0, 0.0> -Gap from band 1 (0.2993049473117477) to band 2 (0.4924342823622063), 48.78609719263024% -Gap from band 5 (0.7988168792802595) to band 6 (0.8259787164701542), 3.343415905475791% -Gap from band 7 (0.9834563303529579) to band 8 (0.9984200611839876), 1.5100569233205687% -total elapsed time for run: 15.819931745529175 +elapsed time for k point: 2.9415335655212402 +Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2993049473117479 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> +Band 2 range: 0.4924342823622071 at Vector3<0.0, 0.5, 0.0> to 0.6568362683499382 at Vector3<0.0, 0.0, 0.0> +Band 3 range: 0.5269710506448816 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7156232200212519 at Vector3<0.0, 0.0, 0.0> +Band 4 range: 0.6568031427446037 at Vector3<0.0, 0.5, 0.0> to 0.7578382217502106 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> +Band 5 range: 0.7383774303752574 at Vector3<0.0, 0.0, 0.0> to 0.7988168792802606 at Vector3<0.0, 0.5, 0.0> +Band 6 range: 0.8259787164701549 at Vector3<0.0, 0.0, 0.0> to 0.9629215441012391 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> +Band 7 range: 0.8271634538840902 at Vector3<0.0, 0.0, 0.0> to 0.9834563303529569 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> +Band 8 range: 0.9984200611839884 at Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> to 1.041155125207904 at Vector3<0.0, 0.0, 0.0> +Gap from band 1 (0.2993049473117479) to band 2 (0.4924342823622071), 48.786097192630336% +Gap from band 5 (0.7988168792802606) to band 6 (0.8259787164701549), 3.343415905475733% +Gap from band 7 (0.9834563303529569) to band 8 (0.9984200611839884), 1.5100569233207481% +total elapsed time for run: 21.265711545944214 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -92511,7 +88523,7 @@ 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: 0.007974624633789062 +elapsed time for initialization: 0.020426034927368164 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... @@ -92580,7 +88592,7 @@ iteration 31: trace = 2.862490688618994 (4.54718e-11% change) Finished solving for bands 2 to 8 after 31 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.398513, 0.492888, 0.493368, 0.682486, 0.682532, 0.692015, 0.898224 -elapsed time for k point: 0.8227910995483398 +elapsed time for k point: 0.8032333850860596 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -92625,7 +88637,7 @@ iteration 20: trace = 2.835301328478703 (6.87286e-11% change) Finished solving for bands 1 to 8 after 20 iterations. tmfreqs:, 2, 0, 0.1, 0, 0.11547, 0.0581198, 0.391139, 0.491701, 0.498714, 0.658377, 0.683973, 0.717136, 0.879138 -elapsed time for k point: 0.4495255947113037 +elapsed time for k point: 2.060792922973633 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. @@ -92662,7 +88674,7 @@ iteration 16: trace = 2.795630871597669 (2.53209e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 3, 0, 0.2, 0, 0.23094, 0.114967, 0.372435, 0.488376, 0.510297, 0.634188, 0.687769, 0.745313, 0.845031 -elapsed time for k point: 0.3499257564544678 +elapsed time for k point: 0.6856949329376221 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 7 iterations. @@ -92695,7 +88707,7 @@ iteration 14: trace = 2.771565390381667 (1.5959e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 4, 0, 0.3, 0, 0.34641, 0.169005, 0.346637, 0.484408, 0.520098, 0.618254, 0.692346, 0.770438, 0.813964 -elapsed time for k point: 0.3105955123901367 +elapsed time for k point: 0.37813735008239746 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -92726,7 +88738,7 @@ iteration 13: trace = 2.764617094107781 (7.09999e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0, 0.4, 0, 0.46188, 0.217539, 0.316063, 0.481302, 0.523954, 0.612544, 0.695969, 0.784104, 0.798008 -elapsed time for k point: 0.24392247200012207 +elapsed time for k point: 0.39171624183654785 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -92761,7 +88773,7 @@ iteration 15: trace = 2.765514654374654 (5.35377e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 6, 0, 0.5, 0, 0.57735, 0.246221, 0.2936, 0.480139, 0.524322, 0.612077, 0.697337, 0.77948, 0.802954 -elapsed time for k point: 0.3309202194213867 +elapsed time for k point: 0.49714064598083496 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -92794,7 +88806,7 @@ iteration 14: trace = 2.76565609734263 (9.75962e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.247714, 0.293902, 0.474174, 0.530395, 0.610517, 0.697722, 0.778384, 0.803945 -elapsed time for k point: 0.29357051849365234 +elapsed time for k point: 0.5108044147491455 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -92829,7 +88841,7 @@ iteration 15: trace = 2.766440393053366 (2.33407e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.252117, 0.294341, 0.462144, 0.543033, 0.606057, 0.698701, 0.775411, 0.806864 -elapsed time for k point: 0.1651744842529297 +elapsed time for k point: 0.5894443988800049 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -92864,7 +88876,7 @@ iteration 15: trace = 2.768905996249786 (5.58779e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.259212, 0.293544, 0.450321, 0.556823, 0.599242, 0.699858, 0.771489, 0.811554 -elapsed time for k point: 0.1836261749267578 +elapsed time for k point: 0.5240979194641113 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -92901,7 +88913,7 @@ iteration 16: trace = 2.774529530826194 (2.4329e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.268674, 0.289451, 0.441996, 0.569747, 0.590701, 0.700763, 0.768006, 0.817777 -elapsed time for k point: 0.20656204223632812 +elapsed time for k point: 0.47905993461608887 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -92963,7 +88975,7 @@ iteration 27: trace = 2.78440413069857 (2.00003e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tmfreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.280092, 0.280155, 0.439082, 0.58087, 0.581035, 0.701106, 0.766461, 0.825015 -elapsed time for k point: 0.618168830871582 +elapsed time for k point: 0.78782057762146 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -92998,7 +89010,7 @@ iteration 15: trace = 2.766275694185342 (1.16229e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.244445, 0.307226, 0.448708, 0.559739, 0.597235, 0.699583, 0.773933, 0.80772 -elapsed time for k point: 0.5061051845550537 +elapsed time for k point: 0.5199806690216064 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 8 iterations. @@ -93029,7 +89041,7 @@ iteration 13: trace = 2.765766574968628 (1.10791e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 13, -0.2, 0.2, 0, 0.4, 0.192601, 0.336978, 0.467722, 0.538055, 0.609757, 0.695231, 0.77985, 0.802206 -elapsed time for k point: 0.30576491355895996 +elapsed time for k point: 0.39988112449645996 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93060,7 +89072,7 @@ iteration 13: trace = 2.786825446005419 (1.53616e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.132075, 0.365778, 0.483253, 0.517524, 0.627555, 0.689432, 0.753492, 0.835064 -elapsed time for k point: 0.2786531448364258 +elapsed time for k point: 0.40782856941223145 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 8 iterations. @@ -93101,7 +89113,7 @@ iteration 18: trace = 2.82927027988534 (1.612e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tmfreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0670312, 0.388874, 0.490908, 0.500671, 0.654295, 0.684452, 0.721561, 0.874451 -elapsed time for k point: 0.3466658592224121 +elapsed time for k point: 0.54441237449646 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -93169,7 +89181,7 @@ iteration 31: trace = 2.862490688618609 (3.03921e-11% change) Finished solving for bands 2 to 8 after 31 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.398513, 0.492888, 0.493368, 0.682486, 0.682532, 0.692015, 0.898224 -.elapsed time for k point: 0.6785860061645508 +.elapsed time for k point: 1.1409416198730469 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2800915681739989 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.2801552391378436 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.3985126081046681 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.4390817228448607 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.49288810189980536 at Vector3<0.0, 0.0, 0.0> @@ -93184,11 +89196,11 @@ Gap from band 4 (0.5808701365268188) to band 5 (0.581035246804371), 0.028420606345552785% Gap from band 5 (0.6824860801372994) to band 6 (0.6825317446715007), 0.006690686871827688% Gap from band 7 (0.7841042622393071) to band 8 (0.7980077872594095), 1.7575904341930328% -total elapsed time for run: 6.101043701171875 +total elapsed time for run: 10.74365520477295 done -/tmp/meepNmMUdV/test_tri_holes-0: 22.22s +/tmp/meep1SOGmO/test_tri_holes-0: 32.01s -/tmp/meepNmMUdV/test_tri_rods-0 +/tmp/meep1SOGmO/test_tri_rods-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -93230,7 +89242,7 @@ 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: 0.0050601959228515625 +elapsed time for initialization: 0.0036606788635253906 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... @@ -93285,7 +89297,7 @@ iteration 24: trace = 4.5778946265728 (4.37309e-11% change) Finished solving for bands 2 to 8 after 24 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832 -elapsed time for k point: 0.3762822151184082 +elapsed time for k point: 1.159564733505249 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -93326,7 +89338,7 @@ iteration 18: trace = 4.546667003404458 (4.24294e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tmfreqs:, 2, 0, 0.1, 0, 0.11547, 0.0711319, 0.538981, 0.559429, 0.617095, 0.834123, 0.839462, 0.988272, 1.08637 -elapsed time for k point: 0.37159061431884766 +elapsed time for k point: 0.5790927410125732 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93361,7 +89373,7 @@ iteration 15: trace = 4.456771796562707 (4.08938e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 3, 0, 0.2, 0, 0.23094, 0.138898, 0.508574, 0.556587, 0.65398, 0.825087, 0.84452, 0.968999, 1.05281 -elapsed time for k point: 0.32648134231567383 +elapsed time for k point: 0.4735550880432129 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93394,7 +89406,7 @@ iteration 14: trace = 4.364565233298256 (3.14607e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 4, 0, 0.3, 0, 0.34641, 0.198939, 0.479631, 0.553145, 0.693119, 0.813353, 0.850964, 0.932869, 1.02598 -elapsed time for k point: 0.2894704341888428 +elapsed time for k point: 0.43396425247192383 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93425,7 +89437,7 @@ iteration 13: trace = 4.304069964437605 (7.18332e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0, 0.4, 0, 0.46188, 0.244064, 0.4557, 0.550414, 0.730028, 0.80289, 0.856372, 0.891379, 1.01409 -elapsed time for k point: 0.26520347595214844 +elapsed time for k point: 0.39086389541625977 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93456,7 +89468,7 @@ iteration 13: trace = 4.283477065616429 (4.147e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 6, 0, 0.5, 0, 0.57735, 0.262015, 0.445331, 0.549383, 0.749186, 0.797864, 0.85849, 0.870609, 1.01087 -elapsed time for k point: 0.4003562927246094 +elapsed time for k point: 0.38776445388793945 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93485,7 +89497,7 @@ iteration 12: trace = 4.264474631199774 (8.72667e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.262984, 0.4475, 0.545804, 0.752448, 0.797093, 0.860461, 0.870245, 0.99895 -elapsed time for k point: 0.2710869312286377 +elapsed time for k point: 0.3539316654205322 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93514,7 +89526,7 @@ iteration 12: trace = 4.228595652264468 (8.17059e-12% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.265671, 0.453801, 0.535912, 0.761319, 0.795166, 0.866056, 0.869135, 0.973413 -elapsed time for k point: 0.30803728103637695 +elapsed time for k point: 0.3735995292663574 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93539,7 +89551,7 @@ iteration 10: trace = 4.19657782122971 (9.13665e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.269404, 0.463648, 0.52172, 0.773443, 0.792931, 0.867201, 0.874681, 0.94487 -elapsed time for k point: 0.21921586990356445 +elapsed time for k point: 0.2997429370880127 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93564,7 +89576,7 @@ iteration 10: trace = 4.17565176133351 (5.30059e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.273, 0.476141, 0.505606, 0.78524, 0.791235, 0.864672, 0.885801, 0.918597 -elapsed time for k point: 0.16248202323913574 +elapsed time for k point: 0.258882999420166 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -93587,23 +89599,23 @@ iteration 9: trace = 4.168411689609144 (8.90221e-11% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.27469, 0.489984, 0.490239, 0.79072, 0.790832, 0.863041, 0.899109, 0.89925 -elapsed time for k point: 0.1286160945892334 +elapsed time for k point: 0.2369232177734375 Fixing e-field (band 1) phase by -1 + 4.11947e-08i; max ampl. = 0.93911 -Outputting fields to /tmp/meepNmMUdV/test_tri_rods-0-e.k11.b01.z.tm.h5... +Outputting fields to /tmp/meep1SOGmO/test_tri_rods-0-e.k11.b01.z.tm.h5... Fixing e-field (band 2) phase by -4.11947e-08 + -1i; max ampl. = 1.08316 -Outputting fields to /tmp/meepNmMUdV/test_tri_rods-0-e.k11.b02.z.tm.h5... +Outputting fields to /tmp/meep1SOGmO/test_tri_rods-0-e.k11.b02.z.tm.h5... Fixing e-field (band 3) phase by 1 + -4.11947e-08i; max ampl. = 0.877953 -Outputting fields to /tmp/meepNmMUdV/test_tri_rods-0-e.k11.b03.z.tm.h5... +Outputting fields to /tmp/meep1SOGmO/test_tri_rods-0-e.k11.b03.z.tm.h5... Fixing e-field (band 4) phase by 1 + -4.11947e-08i; max ampl. = 1.24657 -Outputting fields to /tmp/meepNmMUdV/test_tri_rods-0-e.k11.b04.z.tm.h5... +Outputting fields to /tmp/meep1SOGmO/test_tri_rods-0-e.k11.b04.z.tm.h5... Fixing e-field (band 5) phase by 4.11947e-08 + 1i; max ampl. = 1.10168 -Outputting fields to /tmp/meepNmMUdV/test_tri_rods-0-e.k11.b05.z.tm.h5... +Outputting fields to /tmp/meep1SOGmO/test_tri_rods-0-e.k11.b05.z.tm.h5... Fixing e-field (band 6) phase by -1 + 4.11949e-08i; max ampl. = 1.76186 -Outputting fields to /tmp/meepNmMUdV/test_tri_rods-0-e.k11.b06.z.tm.h5... +Outputting fields to /tmp/meep1SOGmO/test_tri_rods-0-e.k11.b06.z.tm.h5... Fixing e-field (band 7) phase by -1 + 4.11947e-08i; max ampl. = 1.0881 -Outputting fields to /tmp/meepNmMUdV/test_tri_rods-0-e.k11.b07.z.tm.h5... +Outputting fields to /tmp/meep1SOGmO/test_tri_rods-0-e.k11.b07.z.tm.h5... Fixing e-field (band 8) phase by -1 + 4.11947e-08i; max ampl. = 1.08096 -Outputting fields to /tmp/meepNmMUdV/test_tri_rods-0-e.k11.b08.z.tm.h5... +Outputting fields to /tmp/meep1SOGmO/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. @@ -93630,7 +89642,7 @@ iteration 11: trace = 4.197854050309301 (1.33506e-11% change) Finished solving for bands 1 to 8 after 11 iterations. tmfreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.2632, 0.47091, 0.51804, 0.764413, 0.795091, 0.864427, 0.896871, 0.932925 -elapsed time for k point: 0.16094970703125 +elapsed time for k point: 0.2743663787841797 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93659,7 +89671,7 @@ iteration 12: trace = 4.283266488990682 (1.1156e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 13, -0.2, 0.2, 0, 0.4, 0.222593, 0.476537, 0.539917, 0.715636, 0.806516, 0.856013, 0.929969, 0.977199 -elapsed time for k point: 0.13541579246520996 +elapsed time for k point: 0.35784077644348145 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -93690,7 +89702,7 @@ iteration 13: trace = 4.410102274545235 (2.52551e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.15856, 0.501245, 0.552927, 0.666818, 0.82116, 0.846938, 0.963589, 1.03113 -elapsed time for k point: 0.14555144309997559 +elapsed time for k point: 0.44072937965393066 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93729,7 +89741,7 @@ iteration 17: trace = 4.534517622757205 (7.84657e-11% change) Finished solving for bands 1 to 8 after 17 iterations. tmfreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0819275, 0.534465, 0.558896, 0.622523, 0.832982, 0.840137, 0.98638, 1.08149 -elapsed time for k point: 0.25269627571105957 +elapsed time for k point: 0.4769315719604492 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. @@ -93766,7 +89778,7 @@ iteration 16: trace = 4.577894626572485 (2.54547e-11% change) Finished solving for bands 2 to 8 after 16 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832 -elapsed time for k point: 0.2687060832977295 +elapsed time for k point: 0.3657412528991699 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2746902258623629 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.4453310808471575 at Vector3<0.0, 0.5, 0.0> to 0.5605181423162836 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.4902389149027673 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.5605607947797744 at Vector3<0.0, 0.0, 0.0> @@ -93780,7 +89792,7 @@ Gap from band 4 (0.7907195974443696) to band 5 (0.7908320763327565), 0.01422386511321756% Gap from band 5 (0.8374511167537543) to band 6 (0.8375948528443258), 0.01716204727276697% Gap from band 6 (0.8672009264903452) to band 7 (0.8691349955739195), 0.2227759109279908% -total elapsed time for run: 4.1578052043914795 +total elapsed time for run: 7.031620264053345 done Read lattice vectors Read Bloch wavevector (-0.333333, 0.333333, 0) @@ -93830,7 +89842,7 @@ 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: 0.008412837982177734 +elapsed time for initialization: 0.0028769969940185547 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... @@ -93949,7 +89961,7 @@ iteration 56: trace = 6.205337647125874 (6.94044e-11% change) Finished solving for bands 2 to 8 after 56 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.561229, 0.793929, 0.794659, 1.03341, 1.03342, 1.11597, 1.11681 -elapsed time for k point: 1.0886330604553223 +elapsed time for k point: 1.233337163925171 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -94016,7 +90028,7 @@ iteration 31: trace = 6.070460070673304 (7.6916e-11% change) Finished solving for bands 1 to 8 after 31 iterations. tefreqs:, 2, 0, 0.1, 0, 0.11547, 0.101865, 0.559805, 0.79146, 0.793258, 0.992126, 1.02845, 1.09799, 1.1151 -elapsed time for k point: 0.6940999031066895 +elapsed time for k point: 3.339127779006958 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -94079,7 +90091,7 @@ iteration 29: trace = 5.856237734706169 (2.88919e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 3, 0, 0.2, 0, 0.23094, 0.202662, 0.555133, 0.784265, 0.784932, 0.925328, 1.01804, 1.06979, 1.11298 -elapsed time for k point: 0.33068132400512695 +elapsed time for k point: 0.5411949157714844 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -94134,7 +90146,7 @@ iteration 25: trace = 5.679316226598069 (4.87306e-11% change) Finished solving for bands 1 to 8 after 25 iterations. tefreqs:, 4, 0, 0.3, 0, 0.34641, 0.300756, 0.545003, 0.752836, 0.776604, 0.881527, 1.00851, 1.04494, 1.1117 -elapsed time for k point: 0.2555723190307617 +elapsed time for k point: 0.1875152587890625 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -94185,7 +90197,7 @@ iteration 23: trace = 5.56735694453921 (5.39382e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 5, 0, 0.4, 0, 0.46188, 0.392756, 0.521577, 0.705571, 0.77011, 0.86865, 1.00251, 1.02766, 1.11107 -elapsed time for k point: 0.5451738834381104 +elapsed time for k point: 0.3078441619873047 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -94234,7 +90246,7 @@ iteration 22: trace = 5.529271313719442 (3.44074e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 6, 0, 0.5, 0, 0.57735, 0.468428, 0.473072, 0.683225, 0.767661, 0.866987, 1.00052, 1.02137, 1.11088 -elapsed time for k point: 0.6983532905578613 +elapsed time for k point: 0.32719969749450684 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -94287,7 +90299,7 @@ iteration 24: trace = 5.532153606068913 (8.04829e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.472654, 0.474197, 0.67604, 0.772695, 0.866879, 0.969813, 1.05066, 1.11081 -elapsed time for k point: 0.5148484706878662 +elapsed time for k point: 0.40494871139526367 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -94340,7 +90352,7 @@ iteration 24: trace = 5.534695993739172 (6.49922e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.477432, 0.485081, 0.657266, 0.784802, 0.866577, 0.932933, 1.08112, 1.11059 -elapsed time for k point: 0.5977420806884766 +elapsed time for k point: 0.3718252182006836 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -94391,7 +90403,7 @@ iteration 23: trace = 5.52714002396694 (5.32379e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.48232, 0.50501, 0.630584, 0.799745, 0.866126, 0.900465, 1.09936, 1.11024 -elapsed time for k point: 0.6123685836791992 +elapsed time for k point: 0.40682148933410645 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -94440,7 +90452,7 @@ iteration 22: trace = 5.514581486526155 (5.592e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.487852, 0.531427, 0.598151, 0.814208, 0.865617, 0.875643, 1.10711, 1.10983 -elapsed time for k point: 0.5143468379974365 +elapsed time for k point: 0.3948655128479004 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -94483,7 +90495,7 @@ iteration 19: trace = 5.508642232131613 (7.06203e-11% change) Finished solving for bands 1 to 8 after 19 iterations. tefreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.491236, 0.563106, 0.563151, 0.821423, 0.865195, 0.865231, 1.10923, 1.10941 -elapsed time for k point: 0.45496487617492676 +elapsed time for k point: 0.35784101486206055 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -94530,7 +90542,7 @@ iteration 21: trace = 5.538947612933672 (6.51027e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.446126, 0.532191, 0.637012, 0.806654, 0.86614, 0.893198, 1.10593, 1.10866 -elapsed time for k point: 0.8739800453186035 +elapsed time for k point: 0.37716245651245117 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -94579,7 +90591,7 @@ iteration 22: trace = 5.636892705526575 (7.80421e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 13, -0.2, 0.2, 0, 0.4, 0.345267, 0.542882, 0.713396, 0.795022, 0.875814, 0.938821, 1.09707, 1.10904 -elapsed time for k point: 1.4939050674438477 +elapsed time for k point: 0.4055187702178955 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -94638,7 +90650,7 @@ iteration 27: trace = 5.807436111839936 (8.67618e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tefreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.233479, 0.553269, 0.768719, 0.792196, 0.912766, 0.987203, 1.08919, 1.11098 -elapsed time for k point: 1.21335768699646 +elapsed time for k point: 0.5316081047058105 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -94709,7 +90721,7 @@ iteration 33: trace = 6.039148745478512 (4.55476e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.117556, 0.559323, 0.789736, 0.793576, 0.983043, 1.02374, 1.09661, 1.11448 -elapsed time for k point: 1.2731895446777344 +elapsed time for k point: 0.7212202548980713 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 6 iterations. @@ -94784,7 +90796,7 @@ iteration 35: trace = 6.205337647122205 (8.30305e-11% change) Finished solving for bands 2 to 8 after 35 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.561229, 0.793929, 0.794659, 1.03341, 1.03342, 1.11597, 1.11681 -elapsed time for k point: 0.7232084274291992 +elapsed time for k point: 3.3495917320251465 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4912358118675781 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.47307223902807555 at Vector3<0.0, 0.5, 0.0> to 0.5631059378714026 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 3 range: 0.5631505198559037 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7939289395839764 at Vector3<0.0, 0.0, 0.0> @@ -94795,7 +90807,7 @@ Band 8 range: 1.1086626585374233 at Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> to 1.116810719125538 at Vector3<0.0, 0.0, 0.0> Gap from band 2 (0.5631059378714026) to band 3 (0.5631505198559037), 0.00791684419568924% Gap from band 4 (0.8214230044191518) to band 5 (0.8651948144415254), 5.190483526604943% -total elapsed time for run: 11.89547061920166 +total elapsed time for run: 13.271936655044556 done epsilon: 1-12, mean 2.59614, harm. mean 1.17149, 17.2852% > 1, 14.5104% "fill" Read lattice vectors @@ -94805,9 +90817,9 @@ Input data is rank 2, size 32x32x1. Output data 96x83x1 real part range: 1 .. 12 -./tmp/meepNmMUdV/test_tri_rods-0: 16.12s +./tmp/meep1SOGmO/test_tri_rods-0: 20.44s -/tmp/meepNmMUdV/test_triangular_lattice-0 +/tmp/meep1SOGmO/test_triangular_lattice-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -94850,7 +90862,7 @@ 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: 0.01587224006652832 +elapsed time for initialization: 0.018928050994873047 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... @@ -94905,7 +90917,7 @@ iteration 24: trace = 4.5778946265728 (4.37309e-11% change) Finished solving for bands 2 to 8 after 24 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832 -elapsed time for k point: 0.44440126419067383 +elapsed time for k point: 0.39874911308288574 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -94946,7 +90958,7 @@ iteration 18: trace = 4.546667003404458 (4.24294e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tmfreqs:, 2, 0, 0.1, 0, 0.11547, 0.0711319, 0.538981, 0.559429, 0.617095, 0.834123, 0.839462, 0.988272, 1.08637 -elapsed time for k point: 0.31322479248046875 +elapsed time for k point: 0.48937344551086426 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -94981,7 +90993,7 @@ iteration 15: trace = 4.456771796562707 (4.08938e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 3, 0, 0.2, 0, 0.23094, 0.138898, 0.508574, 0.556587, 0.65398, 0.825087, 0.84452, 0.968999, 1.05281 -elapsed time for k point: 0.46847081184387207 +elapsed time for k point: 0.37213850021362305 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -95014,7 +91026,7 @@ iteration 14: trace = 4.364565233298256 (3.14607e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 4, 0, 0.3, 0, 0.34641, 0.198939, 0.479631, 0.553145, 0.693119, 0.813353, 0.850964, 0.932869, 1.02598 -elapsed time for k point: 0.6597509384155273 +elapsed time for k point: 0.35006022453308105 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -95045,7 +91057,7 @@ iteration 13: trace = 4.304069964437605 (7.18332e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0, 0.4, 0, 0.46188, 0.244064, 0.4557, 0.550414, 0.730028, 0.80289, 0.856372, 0.891379, 1.01409 -elapsed time for k point: 0.4061267375946045 +elapsed time for k point: 0.33177947998046875 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -95076,7 +91088,7 @@ iteration 13: trace = 4.283477065616429 (4.147e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 6, 0, 0.5, 0, 0.57735, 0.262015, 0.445331, 0.549383, 0.749186, 0.797864, 0.85849, 0.870609, 1.01087 -elapsed time for k point: 0.38086891174316406 +elapsed time for k point: 0.332080602645874 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -95105,7 +91117,7 @@ iteration 12: trace = 4.264474631199774 (8.72667e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.262984, 0.4475, 0.545804, 0.752448, 0.797093, 0.860461, 0.870245, 0.99895 -elapsed time for k point: 0.28272128105163574 +elapsed time for k point: 0.2807326316833496 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -95134,7 +91146,7 @@ iteration 12: trace = 4.228595652264468 (8.17059e-12% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.265671, 0.453801, 0.535912, 0.761319, 0.795166, 0.866056, 0.869135, 0.973413 -elapsed time for k point: 0.29967284202575684 +elapsed time for k point: 0.28797245025634766 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -95159,7 +91171,7 @@ iteration 10: trace = 4.19657782122971 (9.13665e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.269404, 0.463648, 0.52172, 0.773443, 0.792931, 0.867201, 0.874681, 0.94487 -elapsed time for k point: 0.3197212219238281 +elapsed time for k point: 0.25673747062683105 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -95184,7 +91196,7 @@ iteration 10: trace = 4.17565176133351 (5.30059e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.273, 0.476141, 0.505606, 0.78524, 0.791235, 0.864672, 0.885801, 0.918597 -elapsed time for k point: 0.23403525352478027 +elapsed time for k point: 0.3144662380218506 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -95207,7 +91219,7 @@ iteration 9: trace = 4.168411689609144 (8.90221e-11% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.27469, 0.489984, 0.490239, 0.79072, 0.790832, 0.863041, 0.899109, 0.89925 -elapsed time for k point: 0.20217132568359375 +elapsed time for k point: 0.2241678237915039 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -95234,7 +91246,7 @@ iteration 11: trace = 4.1978540503093 (1.33506e-11% change) Finished solving for bands 1 to 8 after 11 iterations. tmfreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.2632, 0.47091, 0.51804, 0.764413, 0.795091, 0.864427, 0.896871, 0.932925 -elapsed time for k point: 0.23175787925720215 +elapsed time for k point: 0.29187440872192383 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -95263,7 +91275,7 @@ iteration 12: trace = 4.283266488990683 (1.11145e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 13, -0.2, 0.2, 0, 0.4, 0.222593, 0.476537, 0.539917, 0.715636, 0.806516, 0.856013, 0.929969, 0.977199 -elapsed time for k point: 0.2616558074951172 +elapsed time for k point: 0.30686140060424805 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -95294,7 +91306,7 @@ iteration 13: trace = 4.410102274545241 (2.50738e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.15856, 0.501245, 0.552927, 0.666818, 0.82116, 0.846938, 0.963589, 1.03113 -elapsed time for k point: 0.2880551815032959 +elapsed time for k point: 0.34800148010253906 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -95333,7 +91345,7 @@ iteration 17: trace = 4.534517622757207 (7.84657e-11% change) Finished solving for bands 1 to 8 after 17 iterations. tmfreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0819275, 0.534465, 0.558896, 0.622523, 0.832982, 0.840137, 0.98638, 1.08149 -elapsed time for k point: 0.42695069313049316 +elapsed time for k point: 0.4138510227203369 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. @@ -95399,7 +91411,7 @@ File "/build/reproducible-path/meep-1.29.0/python/./tests/test_mpb.py", line 210, in check_freqs self.assertAlmostEqual(r, e, places=3) ~~~~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^ -AssertionError: 1.4651880980147938 != 1.469257717113039 within 3 places (0.004069619098245214 difference) +AssertionError: 1.4651880980147804 != 1.469257717113039 within 3 places (0.004069619098258537 difference) ====================================================================== FAIL: test_hole_slab (__main__.TestModeSolver.test_hole_slab) @@ -95423,10 +91435,10 @@ AssertionError: -0.9945407488966614 != -0.9950905165812846 within 3 places (0.0005497676846231148 difference) ---------------------------------------------------------------------- -Ran 47 tests in 993.454s +Ran 47 tests in 2264.529s FAILED (failures=4) -elapsed time for k point: 0.45888400077819824 +elapsed time for k point: 4.41658878326416 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2746902258623629 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.4453310808471575 at Vector3<0.0, 0.5, 0.0> to 0.5605181423162836 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.4902389149027673 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.560560794779775 at Vector3<0.0, 0.0, 0.0> @@ -95440,15 +91452,15 @@ Gap from band 4 (0.7907195974443696) to band 5 (0.7908320763327565), 0.01422386511321756% Gap from band 5 (0.8374511167537543) to band 6 (0.8375948528443277), 0.017162047272992302% Gap from band 6 (0.8672009264903452) to band 7 (0.8691349955739195), 0.2227759109279908% -total elapsed time for run: 5.696939945220947 +total elapsed time for run: 9.448643207550049 done -/tmp/meepNmMUdV/test_triangular_lattice-0: 5.70s +/tmp/meep1SOGmO/test_triangular_lattice-0: 9.45s -/tmp/meepNmMUdV/test_update_band_range_data-0 +/tmp/meep1SOGmO/test_update_band_range_data-0 ======================== -/tmp/meepNmMUdV/test_update_band_range_data-0: 0.00s +/tmp/meep1SOGmO/test_update_band_range_data-0: 0.00s -Elapsed run time = 993.7580 s +Elapsed run time = 2269.3085 s FAIL tests/test_mpb.py (exit status: 1) FAIL: tests/test_mode_decomposition @@ -95513,7 +91525,7 @@ make[5]: Entering directory '/build/reproducible-path/meep-1.29.0/src' make[6]: Entering directory '/build/reproducible-path/meep-1.29.0/src' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu' - /bin/bash ../libtool --mode=install /usr/bin/install -c libmeep.la '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu' + /bin/sh ../libtool --mode=install /usr/bin/install -c libmeep.la '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu' libtool: install: /usr/bin/install -c .libs/libmeep.so.33.0.0 /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu/libmeep.so.33.0.0 libtool: install: (cd /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu && { ln -s -f libmeep.so.33.0.0 libmeep.so.33 || { rm -f libmeep.so.33 && ln -s libmeep.so.33.0.0 libmeep.so.33; }; }) libtool: install: (cd /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu && { ln -s -f libmeep.so.33.0.0 libmeep.so || { rm -f libmeep.so && ln -s libmeep.so.33.0.0 libmeep.so; }; }) @@ -95543,7 +91555,7 @@ make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/scheme' make[5]: Entering directory '/build/reproducible-path/meep-1.29.0/scheme' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/bin' - /bin/bash ../libtool --mode=install /usr/bin/install -c meep '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/bin' + /bin/sh ../libtool --mode=install /usr/bin/install -c meep '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/bin' libtool: warning: '../src/libmeep.la' has not been installed in '/usr/lib/x86_64-linux-gnu' libtool: install: /usr/bin/install -c .libs/meep /build/reproducible-path/meep-1.29.0/debian/tmp/usr/bin/meep /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/share/meep' @@ -95555,9 +91567,9 @@ make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/libpympb' make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/libpympb' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu' - /bin/bash ../libtool --mode=install /usr/bin/install -c libpympb.la '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu' + /bin/sh ../libtool --mode=install /usr/bin/install -c libpympb.la '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu' libtool: warning: relinking 'libpympb.la' -libtool: install: (cd /build/reproducible-path/meep-1.29.0/libpympb; /bin/bash "/build/reproducible-path/meep-1.29.0/libtool" --tag CXX --mode=relink x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o libpympb.la -rpath /usr/lib/x86_64-linux-gnu libpympb_la-pympb.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath -inst-prefix-dir /build/reproducible-path/meep-1.29.0/debian/tmp) +libtool: install: (cd /build/reproducible-path/meep-1.29.0/libpympb; /bin/sh "/build/reproducible-path/meep-1.29.0/libtool" --tag CXX --mode=relink x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o libpympb.la -rpath /usr/lib/x86_64-linux-gnu libpympb_la-pympb.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath -inst-prefix-dir /build/reproducible-path/meep-1.29.0/debian/tmp) libtool: relink: x86_64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crti.o /usr/lib/gcc/x86_64-linux-gnu/14/crtbeginS.o .libs/libpympb_la-pympb.o -L/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu -L/usr/lib/x86_64-linux-gnu -lmeep -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lquadmath -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/x86_64-linux-gnu/14/crtendS.o /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -Wl,-soname -Wl,libpympb.so.33 -o .libs/libpympb.so.33.0.0 libtool: install: /usr/bin/install -c .libs/libpympb.so.33.0.0T /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu/libpympb.so.33.0.0 libtool: install: (cd /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu && { ln -s -f libpympb.so.33.0.0 libpympb.so.33 || { rm -f libpympb.so.33 && ln -s libpympb.so.33.0.0 libpympb.so.33; }; }) @@ -95577,9 +91589,9 @@ make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/python' make[5]: Entering directory '/build/reproducible-path/meep-1.29.0/python' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep' - /bin/bash ../libtool --mode=install /usr/bin/install -c _meep.la '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep' + /bin/sh ../libtool --mode=install /usr/bin/install -c _meep.la '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep' libtool: warning: relinking '_meep.la' -libtool: install: (cd /build/reproducible-path/meep-1.29.0/python; /bin/bash "/build/reproducible-path/meep-1.29.0/libtool" --tag CXX --mode=relink x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -module -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o _meep.la -rpath /usr/lib/python3.13/site-packages/meep _meep_la-meep-python.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath -inst-prefix-dir /build/reproducible-path/meep-1.29.0/debian/tmp) +libtool: install: (cd /build/reproducible-path/meep-1.29.0/python; /bin/sh "/build/reproducible-path/meep-1.29.0/libtool" --tag CXX --mode=relink x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -module -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o _meep.la -rpath /usr/lib/python3.13/site-packages/meep _meep_la-meep-python.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath -inst-prefix-dir /build/reproducible-path/meep-1.29.0/debian/tmp) libtool: relink: x86_64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crti.o /usr/lib/gcc/x86_64-linux-gnu/14/crtbeginS.o .libs/_meep_la-meep-python.o -L/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu -L/usr/lib/x86_64-linux-gnu -lmeep -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lquadmath -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/x86_64-linux-gnu/14/crtendS.o /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -Wl,-soname -Wl,_meep.so.33 -o .libs/_meep.so.33.0.0 libtool: install: /usr/bin/install -c .libs/_meep.so.33.0.0T /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/_meep.so.33.0.0 libtool: install: (cd /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep && { ln -s -f _meep.so.33.0.0 _meep.so.33 || { rm -f _meep.so.33 && ln -s _meep.so.33.0.0 _meep.so.33; }; }) @@ -95606,9 +91618,9 @@ Byte-compiling python modules (more optimized versions) ... __init__.py binary_partition_utils.py chunk_balancer.py geom.py simulation.py source.py timing_measurements.py visualization.py materials.py verbosity_mgr.py /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb' - /bin/bash ../libtool --mode=install /usr/bin/install -c _mpb.la '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb' + /bin/sh ../libtool --mode=install /usr/bin/install -c _mpb.la '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb' libtool: warning: relinking '_mpb.la' -libtool: install: (cd /build/reproducible-path/meep-1.29.0/python; /bin/bash "/build/reproducible-path/meep-1.29.0/libtool" --tag CXX --mode=relink x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -module -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o _mpb.la -rpath /usr/lib/python3.13/site-packages/meep/mpb _mpb_la-mpb-python.lo ../libpympb/libpympb.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath -inst-prefix-dir /build/reproducible-path/meep-1.29.0/debian/tmp) +libtool: install: (cd /build/reproducible-path/meep-1.29.0/python; /bin/sh "/build/reproducible-path/meep-1.29.0/libtool" --tag CXX --mode=relink x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -module -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o _mpb.la -rpath /usr/lib/python3.13/site-packages/meep/mpb _mpb_la-mpb-python.lo ../libpympb/libpympb.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath -inst-prefix-dir /build/reproducible-path/meep-1.29.0/debian/tmp) libtool: relink: x86_64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crti.o /usr/lib/gcc/x86_64-linux-gnu/14/crtbeginS.o .libs/_mpb_la-mpb-python.o -L/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu -L/usr/lib/x86_64-linux-gnu -lpympb -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lquadmath -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/x86_64-linux-gnu/14/crtendS.o /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -Wl,-soname -Wl,_mpb.so.33 -o .libs/_mpb.so.33.0.0 libtool: install: /usr/bin/install -c .libs/_mpb.so.33.0.0T /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb/_mpb.so.33.0.0 libtool: install: (cd /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb && { ln -s -f _mpb.so.33.0.0 _mpb.so.33 || { rm -f _mpb.so.33 && ln -s _mpb.so.33.0.0 _mpb.so.33; }; }) @@ -95674,10 +91686,10 @@ debian/rules override_dh_shlibdeps make[1]: Entering directory '/build/reproducible-path/meep-1.29.0' dh_shlibdeps -dpkg-shlibdeps: warning: debian/python3-meep/usr/lib/python3/dist-packages/meep/_meep.so.33.0.0 contains an unresolvable reference to symbol PyList_Size: it's probably a plugin -dpkg-shlibdeps: warning: 107 other similar warnings have been skipped (use -v to see them all) -dpkg-shlibdeps: warning: debian/python3-meep/usr/lib/python3/dist-packages/meep/mpb/_mpb.so.33.0.0 contains an unresolvable reference to symbol PyExc_OverflowError: it's probably a plugin +dpkg-shlibdeps: warning: debian/python3-meep/usr/lib/python3/dist-packages/meep/mpb/_mpb.so.33.0.0 contains an unresolvable reference to symbol PyCapsule_Import: it's probably a plugin dpkg-shlibdeps: warning: 98 other similar warnings have been skipped (use -v to see them all) +dpkg-shlibdeps: warning: debian/python3-meep/usr/lib/python3/dist-packages/meep/_meep.so.33.0.0 contains an unresolvable reference to symbol PyDict_GetItem: it's probably a plugin +dpkg-shlibdeps: warning: 107 other similar warnings have been skipped (use -v to see them all) dh_numpy3 Possible precedence issue with control flow operator (return) at /usr/bin/dh_numpy3 line 57. dh_numpy3: warning: skipping binary package meep which does not depend on the NumPy C ABI @@ -95690,13 +91702,13 @@ dpkg-gencontrol: warning: package python3-meep: substitution variable ${python3:Depends} unused, but is defined dh_md5sums dh_builddeb -dpkg-deb: building package 'libmeep33-dbgsym' in '../libmeep33-dbgsym_1.29.0-2_amd64.deb'. dpkg-deb: building package 'meep-dbgsym' in '../meep-dbgsym_1.29.0-2_amd64.deb'. +dpkg-deb: building package 'libmeep33' in '../libmeep33_1.29.0-2_amd64.deb'. +dpkg-deb: building package 'libmeep33-dbgsym' in '../libmeep33-dbgsym_1.29.0-2_amd64.deb'. dpkg-deb: building package 'meep' in '../meep_1.29.0-2_amd64.deb'. dpkg-deb: building package 'python3-meep-dbgsym' in '../python3-meep-dbgsym_1.29.0-2_amd64.deb'. -dpkg-deb: building package 'libmeep33' in '../libmeep33_1.29.0-2_amd64.deb'. -dpkg-deb: building package 'python3-meep' in '../python3-meep_1.29.0-2_amd64.deb'. dpkg-deb: building package 'libmeep-dev' in '../libmeep-dev_1.29.0-2_amd64.deb'. +dpkg-deb: building package 'python3-meep' in '../python3-meep_1.29.0-2_amd64.deb'. dpkg-genbuildinfo --build=binary -O../meep_1.29.0-2_amd64.buildinfo dpkg-genchanges --build=binary -O../meep_1.29.0-2_amd64.changes dpkg-genchanges: info: binary-only upload (no source code included) @@ -95704,12 +91716,14 @@ 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/4019952/tmp/hooks/B01_cleanup starting +I: user script /srv/workspace/pbuilder/4019952/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/1714060 and its subdirectories -I: Current time: Sun Mar 23 14:28:45 -12 2025 -I: pbuilder-time-stamp: 1742783325 +I: removing directory /srv/workspace/pbuilder/4019952 and its subdirectories +I: Current time: Mon Apr 27 03:34:03 +14 2026 +I: pbuilder-time-stamp: 1777210443